data_2k8x_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 2k8x _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.878 0.37 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -63.84 -38.94 92.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.162 0.506 . . . . 0.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -68.06 -44.59 76.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.614 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.21 -41.2 86.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.323 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -58.72 -47.63 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.078 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.69 -51.92 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -60.25 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.459 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -67.15 -32.14 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.669 0.271 . . . . 0.0 110.685 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.41 -51.93 51.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 2.8 pp -72.04 -28.02 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.571 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -66.93 -35.07 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.618 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.76 -46.13 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.08 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 78.1 mt-30 -62.01 -38.42 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.65 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.69 -47.63 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.65 -40.59 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.462 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -58.37 8.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.491 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -69.12 -35.38 76.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.65 -50.97 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.537 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.06 -39.94 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.15 -53.19 59.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.593 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -72.02 -31.8 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.45 -51.91 65.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.4 p -71.83 -27.57 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -61.32 -50.7 71.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.251 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.78 -34.42 78.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.313 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' B' ' 31' ' ' LYS . 3.7 tt -59.57 -59.01 6.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.416 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 61.5 pttt -71.39 -19.45 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.331 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptt -71.4 -41.31 69.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.4 tp -67.44 -52.12 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.602 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' B' ' 34' ' ' VAL . 14.7 p -82.46 -26.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.603 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.21 -61.86 3.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.657 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -177.857 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.211 -0.971 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -85.03 -49.68 8.1 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.101 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -52.08 -74.93 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 O-C-N 123.999 0.812 . . . . 0.0 112.717 -171.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.4 -47.06 85.8 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.311 0.382 . . . . 0.0 111.166 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.94 -55.03 10.89 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 123.756 0.66 . . . . 0.0 111.594 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.84 -46.29 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 123.203 0.314 . . . . 0.0 110.246 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.446 ' C ' ' HD3' ' B' ' 10' ' ' ARG . 2.7 tmt_? -57.68 -47.92 80.96 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.539 0.524 . . . . 0.0 110.762 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -53.72 -47.88 70.13 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.222 0.326 . . . . 0.0 110.384 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 51.1 mtpt -63.0 -56.64 15.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.416 0.447 . . . . 0.0 110.745 -176.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.53 -27.43 42.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 O-C-N 123.094 0.246 . . . . 0.0 110.632 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 14' ' ' ARG . 1.2 tmm_? -63.27 -55.03 28.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.8 m -64.98 -39.1 92.97 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 -175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 12' ' ' LYS . 94.6 mt -55.04 -47.98 74.05 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 123.397 0.435 . . . . 0.0 110.142 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -60.65 -51.81 67.82 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.556 0.535 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.83 -49.28 75.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.779 0.675 . . . . 0.0 110.447 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.1 tp60 -55.15 -58.66 6.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.642 0.589 . . . . 0.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -70.97 -25.31 62.66 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.828 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.89 -51.69 68.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -61.87 -40.86 96.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.009 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.49 ' O ' HG22 ' B' ' 27' ' ' VAL . 94.7 mt -59.68 -49.41 77.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.523 0.515 . . . . 0.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.58 -44.68 93.26 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.46 0.475 . . . . 0.0 110.05 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.406 ' N ' HD21 ' B' ' 25' ' ' ASN . 0.9 OUTLIER -59.44 -42.24 91.47 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.497 0.498 . . . . 0.0 109.837 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.18 -52.93 63.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 23' ' ' LEU . 97.0 t -52.97 -46.51 53.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 123.747 0.654 . . . . 0.0 110.69 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.38 -58.16 6.32 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 123.662 0.601 . . . . 0.0 111.574 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.438 ' HD3' ' HA ' ' B' ' 29' ' ' ARG . 13.1 mmt180 -66.38 -38.73 88.19 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.743 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.53 -49.66 75.79 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.302 0.376 . . . . 0.0 111.037 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.41 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -67.17 -30.62 70.64 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -176.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -70.72 -38.15 73.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.298 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.39 -43.13 95.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 12.3 p -77.41 -29.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.719 0.295 . . . . 0.0 111.084 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.608 177.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.802 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -60.15 -48.14 82.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.274 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.72 -46.12 90.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.807 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.01 -48.35 81.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.005 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.63 76.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.599 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.2 -41.75 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.942 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.52 -46.73 88.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.977 0.418 . . . . 0.0 110.084 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.19 -37.0 84.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.152 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 53.8 tptt -63.45 -52.87 59.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.12 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -65.26 -31.38 53.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.853 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -62.5 -51.12 68.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -60.46 -39.72 88.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.674 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.6 mt -57.9 -58.17 9.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.957 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -64.57 -37.41 87.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.954 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.82 -44.95 88.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.722 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 tp60 -65.17 -39.52 93.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.272 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -64.5 -40.82 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.692 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 47.1 t80 -60.14 -44.21 95.12 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.308 0.575 . . . . 0.0 109.885 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.475 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 8.2 t-80 -66.08 -34.65 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.007 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 90.8 mt -69.11 -34.86 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.466 176.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 39.9 mt-10 -55.74 -57.35 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.698 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 22' ' ' HIS . 2.9 p-10 -66.81 -30.57 70.79 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.818 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -57.73 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.524 176.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.456 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 95.0 t -60.44 -41.06 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -58.28 -44.05 88.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -64.02 -45.15 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.16 -43.2 74.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.012 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 62.6 pttt -72.05 -26.42 62.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.907 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -71.58 -42.67 67.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.83 -45.2 94.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.778 HG12 HD11 ' B' ' 30' ' ' LEU . 8.1 p -79.15 -22.35 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 110.684 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.24 37.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.517 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 175.218 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.459 ' O ' HG22 ' B' ' 9' ' ' VAL . 11.3 m -62.04 -49.9 74.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.481 0.488 . . . . 0.0 110.382 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.19 -59.76 3.62 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 124.038 0.836 . . . . 0.0 110.961 -175.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.09 -42.46 99.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.318 0.386 . . . . 0.0 110.838 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.84 82.26 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.446 0.466 . . . . 0.0 110.947 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 5' ' ' SER . 97.7 t -56.54 -45.38 82.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 123.534 0.522 . . . . 0.0 111.023 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -58.88 -52.07 67.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.487 0.492 . . . . 0.0 110.435 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.52 -32.97 73.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -64.23 -56.59 13.62 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.88 -26.68 30.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 O-C-N 123.047 0.217 . . . . 0.0 110.644 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -56.33 -52.99 62.51 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -56.64 -44.39 81.25 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.961 0.788 . . . . 0.0 110.294 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.1 -50.98 69.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 123.231 0.332 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.48 -55.25 33.92 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.395 0.435 . . . . 0.0 111.112 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.27 -32.47 74.14 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.383 0.427 . . . . 0.0 110.881 -172.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -53.57 -38.79 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.507 0.505 . . . . 0.0 110.668 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.48 -57.77 8.13 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.884 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -56.45 -42.0 77.42 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 123.684 0.615 . . . . 0.0 111.152 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -55.36 -49.04 73.31 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.602 0.564 . . . . 0.0 110.053 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.56 -51.76 39.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.546 0.529 . . . . 0.0 110.106 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.13 -48.68 67.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 123.818 0.699 . . . . 0.0 111.225 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 22.7 m-80 -64.2 -50.29 68.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.299 0.374 . . . . 0.0 110.678 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -68.22 -43.09 78.74 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.302 0.376 . . . . 0.0 110.821 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.54 -33.51 63.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.82 99.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 20.4 mmt85 -62.89 -51.51 66.7 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.778 HD11 HG12 ' A' ' 34' ' ' VAL . 53.4 tp -58.94 -49.57 77.32 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.655 0.597 . . . . 0.0 110.062 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -53.72 -50.82 65.1 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 124.073 0.858 . . . . 0.0 110.653 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -71.42 -38.85 71.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.259 0.35 . . . . 0.0 111.769 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.131 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.12 -19.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.164 0.507 . . . . 0.0 110.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.947 -172.959 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.927 0.394 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -64.18 -28.18 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.749 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.52 ' O ' HG22 ' A' ' 9' ' ' VAL . 45.8 m -68.0 -42.33 80.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.357 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.88 -43.48 92.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.949 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.84 97.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 5' ' ' SER . 74.9 t -62.91 -47.4 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -56.46 -45.64 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 110.219 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -51.35 69.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.191 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.0 ttmt -63.74 -49.37 73.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.672 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -62.52 -36.97 77.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.318 -175.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -72.02 -37.05 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -67.13 -37.39 83.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.919 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 81.3 mt -67.57 -38.4 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.44 -44.44 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 15.6 tp10 -57.27 -54.76 43.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.843 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -57.37 -42.52 82.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.371 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -69.22 -55.71 9.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.217 -178.259 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.82 -44.27 81.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.506 0.669 . . . . 0.0 110.334 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.7 t60 -61.1 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.274 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG21 ' B' ' 27' ' ' VAL . 35.7 tp -74.44 -37.42 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.35 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 48.1 mt-10 -58.21 -48.36 80.6 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.22 -44.0 96.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.03 -57.12 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.306 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 23' ' ' LEU . 11.8 p -61.72 -35.92 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.856 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.15 82.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -76.43 -26.65 55.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.166 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.1 -53.18 49.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.832 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.569 ' HA ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.89 -20.8 62.47 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.473 179.151 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.62 -43.32 89.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.018 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.1 -52.47 12.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.541 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 31' ' ' LYS . 11.8 p -73.43 -29.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.39 -41.36 7.43 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.522 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 0.0 111.258 -178.808 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.21 -0.997 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -81.82 -58.69 2.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.069 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 tp -56.2 -53.77 53.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.94 0.496 . . . . 0.0 111.529 -170.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.6 -32.19 71.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 123.072 0.233 . . . . 0.0 110.543 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.56 33.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.513 ' O ' HG12 ' B' ' 13' ' ' ILE . 89.6 t -57.91 -47.98 85.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 123.657 0.598 . . . . 0.0 109.865 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -48.98 -55.39 12.04 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.955 0.784 . . . . 0.0 110.178 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.5 -46.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.473 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.38 -58.55 4.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.214 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.513 HG12 ' O ' ' B' ' 9' ' ' VAL . 37.2 pt -61.66 -35.54 67.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 O-C-N 122.992 0.183 . . . . 0.0 111.032 -172.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.28 -47.02 86.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -62.1 -42.8 99.59 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 123.558 0.536 . . . . 0.0 110.143 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 98.3 mt -57.05 -48.24 79.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 123.568 0.542 . . . . 0.0 110.461 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.25 -47.44 84.38 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.522 0.514 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.4 56.5 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.86 0.725 . . . . 0.0 109.866 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.33 -46.52 89.63 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 10.4 m-80 -56.57 -47.37 79.66 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.326 0.391 . . . . 0.0 110.811 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.07 -41.13 96.05 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -62.24 -51.09 69.15 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.917 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.8 -52.9 54.97 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.828 0.705 . . . . 0.0 111.171 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 46.3 mt-10 -51.12 -52.35 44.61 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.92 0.762 . . . . 0.0 111.239 -175.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -71.62 -33.47 68.99 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.397 0.436 . . . . 0.0 110.75 -173.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.83 -50.5 20.1 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.493 HG21 HD13 ' A' ' 23' ' ' LEU . 9.9 p -64.8 -25.82 38.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.18 93.61 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.68 -43.89 69.27 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.699 0.624 . . . . 0.0 110.628 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 27' ' ' VAL . 8.3 mp -58.95 -61.45 2.62 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 123.517 0.511 . . . . 0.0 110.487 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.619 ' HA ' HG12 ' B' ' 34' ' ' VAL . 52.7 pttt -69.53 -25.04 63.83 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.627 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.53 -44.5 62.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.845 0.355 . . . . 0.0 110.477 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -69.49 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' B' ' 31' ' ' LYS . 9.0 p -82.12 -19.5 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.588 177.059 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.147 0.499 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -68.27 -29.27 68.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.521 ' O ' HG21 ' A' ' 9' ' ' VAL . 4.0 p -62.01 -47.57 84.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.385 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.47 -46.37 90.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.71 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.14 -50.11 72.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.755 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.64 88.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.17 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 5' ' ' SER . 78.4 t -64.83 -53.84 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 111.048 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -37.57 88.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.422 0.629 . . . . 0.0 109.807 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -61.14 -49.15 78.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.704 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.773 ' HE3' ' HA ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -64.13 -48.48 75.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.166 -177.248 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 38.6 pt -62.32 -39.47 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.023 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.52 -45.19 94.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 110.41 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -61.28 -47.03 87.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.501 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.689 HD12 HD11 ' B' ' 16' ' ' LEU . 95.8 mt -63.87 -47.74 79.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 76.9 mt-30 -54.96 -53.64 53.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.911 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.88 -43.97 97.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.311 0.382 . . . . 0.0 110.849 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.543 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 tp-100 -62.36 -43.63 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -63.95 -44.97 91.2 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 0.0 109.782 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.07 -41.96 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.495 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 85.8 mt -57.11 -53.72 54.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.865 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HA ' HG11 ' A' ' 27' ' ' VAL . 7.7 mm-40 -62.9 -40.59 98.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.778 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 22.0 m-80 -64.92 -44.67 88.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 110.609 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.31 -40.38 70.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.027 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 7.8 p -68.57 -30.69 48.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -61.63 -43.19 99.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 2.8 mpt_? -56.57 -50.12 72.86 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.09 -54.7 44.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.687 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HA ' HG11 ' A' ' 34' ' ' VAL . 62.5 pttt -71.68 -25.11 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.622 -175.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 42.8 tptt -80.5 -22.21 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 tp -76.77 -39.13 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.439 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.487 HG11 ' HA ' ' A' ' 31' ' ' LYS . 8.9 p -84.48 -35.14 10.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.835 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.33 -48.97 7.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.233 0.211 0 C-N-CA 122.625 0.37 . . . . 0.0 110.815 -179.88 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' SER . . . . . 0.4 ' O ' HG23 ' B' ' 9' ' ' VAL . 14.9 m -63.6 -35.77 81.62 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.713 0.633 . . . . 0.0 110.271 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.86 -46.4 67.83 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.79 0.681 . . . . 0.0 109.694 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -54.72 -52.62 61.91 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.575 0.547 . . . . 0.0 110.446 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.98 68.89 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.572 0.545 . . . . 0.0 110.385 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . 0.418 ' O ' HG12 ' B' ' 13' ' ' ILE . 85.7 t -57.61 -43.73 83.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 123.582 0.551 . . . . 0.0 110.336 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 10' ' ' ARG . 44.7 ttm180 -50.63 -61.74 2.02 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 123.797 0.686 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -67.49 -34.3 76.85 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . 0.779 ' HE3' ' HA ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -57.35 -59.77 4.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.378 0.424 . . . . 0.0 110.396 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.529 ' HA ' HD12 ' B' ' 16' ' ' LEU . 38.2 pt -65.3 -35.04 74.42 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 123.203 0.314 . . . . 0.0 110.661 -174.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -69.56 -40.68 76.63 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m -61.17 -42.26 98.24 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . 0.689 HD11 HD12 ' A' ' 16' ' ' LEU . 84.1 mt -55.59 -49.6 72.31 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 123.506 0.504 . . . . 0.0 109.763 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 75.4 mt-30 -53.16 -53.32 52.2 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.443 0.464 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -61.29 2.27 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.755 0.659 . . . . 0.0 109.839 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.77 -40.03 75.13 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 123.504 0.502 . . . . 0.0 111.927 -172.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.446 ' N ' HD21 ' B' ' 20' ' ' ASN . 0.9 OUTLIER -65.04 -52.37 56.31 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.62 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.14 -41.99 93.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -56.29 -59.72 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.0 -31.92 69.84 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 123.332 0.395 . . . . 0.0 110.871 -174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.52 -48.53 81.31 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 30.9 m-80 -68.59 -39.69 80.83 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -52.33 -59.53 4.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 123.818 0.699 . . . . 0.0 110.48 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.94 -36.05 74.02 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.04 83.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.255 0.347 . . . . 0.0 110.582 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 28.6 mmm180 -62.23 -37.43 85.35 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.6 tp -70.31 -46.01 65.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.581 0.551 . . . . 0.0 110.638 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.17 63.95 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -73.0 -27.5 61.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.439 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.73 -43.4 93.5 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.085 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.67 -37.07 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.718 177.319 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -69.37 -46.09 67.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.459 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -53.82 -50.43 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.034 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.66 -46.21 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.445 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.006 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -54.67 41.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.412 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 13' ' ' ILE . 58.6 t -63.69 -37.56 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.227 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.88 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -67.01 -35.53 80.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.545 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -61.95 -55.21 31.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.733 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.2 pt -66.01 -33.21 62.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.215 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -62.07 -43.33 99.06 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.813 0.34 . . . . 0.0 110.292 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 m -65.66 -40.42 92.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.408 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.78 -43.13 97.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.45 -45.69 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.702 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.62 -45.47 91.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.9 tt0 -58.2 -48.1 81.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.412 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -54.83 -48.12 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.359 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.64 -46.53 84.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.032 0.444 . . . . 0.0 110.514 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 20.1 t-80 -71.31 -32.5 68.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.136 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 72.3 mt -67.95 -40.84 83.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.576 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.24 -46.05 85.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.861 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.585 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 18.2 p30 -75.44 -19.68 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.576 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 4.3 tp10 -66.3 -56.78 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.5 -33.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.226 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.12 99.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.702 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.585 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 1.4 mpt_? -58.16 -52.84 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.503 ' HB3' HD22 ' B' ' 30' ' ' LEU . 11.2 mp -60.89 -45.61 93.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.881 -176.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 34' ' ' VAL . 59.8 pttt -74.64 -23.27 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.246 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -80.82 -27.0 36.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.348 0.594 . . . . 0.0 109.793 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -51.52 12.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.82 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 31' ' ' LYS . 12.2 p -75.52 -27.36 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.07 0.462 . . . . 0.0 110.71 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.28 -22.02 76.77 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.001 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 C--O 1.233 0.199 0 O-C-N 124.054 0.502 . . . . 0.0 110.385 179.538 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -66.63 -23.0 66.11 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 123.643 0.589 . . . . 0.0 109.914 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . 0.402 ' HG ' ' NH2' ' B' ' 10' ' ' ARG . 42.7 tp -85.57 -62.2 1.58 Allowed 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -55.66 -63.08 1.29 Allowed 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.845 0.716 . . . . 0.0 111.875 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.73 55.03 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.629 0.58 . . . . 0.0 111.517 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.3 -41.89 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 123.395 0.434 . . . . 0.0 110.393 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.402 ' NH2' ' HG ' ' B' ' 6' ' ' LEU . 32.3 ttm180 -57.02 -50.75 71.78 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -57.54 -40.99 80.05 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 123.482 0.489 . . . . 0.0 110.283 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -66.82 -52.48 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.732 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.91 -30.31 49.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.66 -45.82 92.66 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -57.85 -39.04 76.79 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 123.543 0.527 . . . . 0.0 109.842 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.22 -49.22 76.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.421 0.451 . . . . 0.0 109.929 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' B' ' 20' ' ' ASN . 76.7 mt-30 -59.73 -49.11 79.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.301 0.376 . . . . 0.0 111.191 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 -28.0 65.78 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . 0.44 HE21 ' HG ' ' B' ' 23' ' ' LEU . 22.9 tp60 -66.12 -35.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.9 OUTLIER -52.45 -68.6 0.16 Allowed 'General case' 0 CA--C 1.515 -0.385 0 O-C-N 124.167 0.917 . . . . 0.0 110.718 179.542 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -54.22 -38.54 65.8 Favored 'General case' 0 C--O 1.212 -0.899 0 O-C-N 123.868 0.73 . . . . 0.0 110.721 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -60.98 -54.53 43.84 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.689 0.618 . . . . 0.0 109.84 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.44 ' HG ' HE21 ' B' ' 19' ' ' GLN . 93.2 mt -64.76 -38.83 92.32 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.492 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.25 -38.1 82.42 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.96 -45.49 81.57 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 123.628 0.58 . . . . 0.0 109.765 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -44.48 42.73 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 123.943 0.777 . . . . 0.0 110.827 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -55.62 -57.87 6.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.36 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.816 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -43.03 99.01 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 123.289 0.368 . . . . 0.0 110.29 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -50.53 -42.98 55.8 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 124.349 1.031 . . . . 0.0 110.247 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 30' ' ' LEU . 6.7 tt -85.33 -51.44 6.57 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.705 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.816 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 64.1 pttt -57.72 -40.46 79.65 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.201 0.313 . . . . 0.0 111.54 -170.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.61 -33.44 72.77 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.949 0.405 . . . . 0.0 110.85 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.6 tm? -82.63 -42.7 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.229 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' B' ' 31' ' ' LYS . 7.2 p -68.73 -24.02 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.566 175.383 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 t -54.11 -54.07 44.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.782 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -57.55 -52.21 66.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.14 -47.33 85.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.23 -40.5 90.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 12' ' ' LYS . . . -62.13 -51.26 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.449 -177.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.51 -33.4 56.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.718 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -62.33 -57.89 9.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.132 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -67.41 -24.43 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.542 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 tppt? -59.63 -59.71 5.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.85 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.79 -29.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.06 -50.31 73.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.753 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.56 -41.62 92.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 94.1 mt -62.32 -49.32 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.564 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.27 -45.56 87.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.501 0.191 . . . . 0.0 110.982 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -59.27 -50.3 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.603 HE21 ' HG ' ' A' ' 23' ' ' LEU . 19.4 tp60 -61.86 -44.33 97.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -59.53 -51.61 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.316 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.47 -39.05 88.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.694 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.02 -48.91 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.603 ' HG ' HE21 ' A' ' 19' ' ' GLN . 86.9 mt -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -51.96 60.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.889 0.376 . . . . 0.0 110.522 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.66 -38.82 87.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.491 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.28 -45.52 80.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 111.261 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.32 -38.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.361 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -42.14 99.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.831 176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.19 -51.26 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.534 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.68 -31.17 71.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 -177.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 20.7 tptm -71.33 -42.01 69.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.41 -46.38 90.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.071 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.03 -27.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 0.0 110.672 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.85 -19.49 78.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.262 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -176.506 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -33.64 76.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.474 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.93 -63.94 1.04 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.58 0.55 . . . . 0.0 110.595 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.04 -41.3 78.4 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.555 0.534 . . . . 0.0 110.753 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.98 10.05 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.528 0.518 . . . . 0.0 110.464 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.44 -41.49 88.78 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 123.288 0.367 . . . . 0.0 110.374 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -58.64 -49.63 76.81 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.335 0.397 . . . . 0.0 109.95 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.95 -40.03 95.5 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -62.53 -52.03 65.04 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.761 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.39 -27.88 38.4 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -62.98 -49.13 75.91 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -54.54 -40.07 68.3 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.842 0.714 . . . . 0.0 110.459 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.5 -60.55 3.49 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 123.522 0.514 . . . . 0.0 110.416 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -63.55 -37.46 87.42 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.555 0.534 . . . . 0.0 109.824 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -55.54 -52.19 64.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 123.937 0.773 . . . . 0.0 110.212 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.05 -37.89 66.69 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.931 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -51.93 65.67 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.492 0.495 . . . . 0.0 111.056 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.19 -45.34 83.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -61.69 -51.45 68.35 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.329 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.48 -52.46 64.64 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.687 0.617 . . . . 0.0 110.631 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.55 -42.62 71.16 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.569 0.543 . . . . 0.0 110.905 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 29.9 m-80 -73.5 -43.85 59.14 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.03 -54.2 49.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.697 0.623 . . . . 0.0 110.757 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.651 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 11.7 p -58.66 -38.92 74.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.25 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 1.009 ' HA ' ' HE3' ' B' ' 31' ' ' LYS . . . -59.36 -46.55 88.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.286 0.366 . . . . 0.0 110.308 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 86.7 mtt180 -58.81 -55.05 40.15 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 123.98 0.8 . . . . 0.0 109.814 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.17 -65.93 0.49 Allowed 'General case' 0 C--O 1.222 -0.388 0 O-C-N 123.949 0.781 . . . . 0.0 112.159 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 1.009 ' HE3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -61.77 -30.8 71.04 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.173 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 34.1 ttpt -71.21 -37.82 72.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.598 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 33' ' ' LEU . 1.3 tm? -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.465 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.86 -26.0 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 111.209 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.101 178.743 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 m -63.31 -41.89 98.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -66.34 -35.02 79.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.232 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.09 -52.49 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.246 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.6 -33.42 75.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.178 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -53.11 53.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.961 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 13' ' ' ILE . 87.7 t -66.44 -40.92 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -49.98 75.78 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -60.08 -45.72 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.149 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.98 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.291 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.489 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 36.5 pt -64.94 -35.28 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.564 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -69.42 -37.77 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.352 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 t -63.51 -36.28 83.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.86 -41.85 99.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.665 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 73.6 mt-30 -59.55 -48.78 80.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 176.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.136 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -59.64 -40.48 87.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.644 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -58.54 7.96 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.523 175.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -58.03 -37.55 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -60.66 -50.28 74.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.861 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.24 -45.13 77.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.14 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 46.8 mt-10 -53.53 -55.89 21.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 -178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.26 -40.69 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.205 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.49 -48.34 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.437 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.54 -30.93 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.911 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -64.28 -43.18 95.61 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -66.97 -39.55 87.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' B' ' 31' ' ' LYS . 4.8 tt -66.0 -51.67 56.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.444 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.911 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 63.4 pttt -63.87 -34.39 77.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.008 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -69.08 -33.51 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.21 -40.21 38.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.511 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.55 HG11 ' HA ' ' A' ' 31' ' ' LYS . 14.8 p -70.79 -30.0 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.22 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -62.85 3.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.704 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.461 . . . . 0.0 110.504 178.979 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -68.74 -35.63 77.35 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.63 -62.07 2.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.588 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.76 -41.92 95.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 123.359 0.412 . . . . 0.0 110.447 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -57.81 8.16 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 123.937 0.773 . . . . 0.0 111.02 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.77 -41.12 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -52.94 -47.66 67.89 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.253 0.621 . . . . 0.0 110.912 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -68.24 -53.95 21.1 Favored 'General case' 0 N--CA 1.444 -0.757 0 O-C-N 123.233 0.333 . . . . 0.0 110.741 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -67.73 -38.0 82.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.787 -168.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' B' ' 17' ' ' GLN . 2.8 pp -65.82 -30.04 48.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 CA-C-N 117.98 0.354 . . . . 0.0 110.638 -175.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -65.79 -42.4 90.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -63.22 -41.76 99.16 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.025 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.98 -37.26 86.42 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.566 0.541 . . . . 0.0 110.847 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 95.2 mt-30 -59.84 -52.36 65.76 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.23 -42.64 99.49 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -54.76 -45.92 74.29 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.642 0.589 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.37 -53.18 59.92 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 123.454 0.471 . . . . 0.0 110.506 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.48 -36.44 83.76 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 123.292 0.37 . . . . 0.0 110.21 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -42.46 78.87 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.429 0.455 . . . . 0.0 109.924 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.6 -45.63 64.94 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.67 -48.39 77.72 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 123.79 0.681 . . . . 0.0 110.117 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -58.07 -50.32 73.88 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.294 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -49.79 70.53 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.44 0.463 . . . . 0.0 111.229 -176.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.86 -38.26 75.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 31' ' ' LYS . . . -63.81 -49.74 71.7 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 123.305 0.378 . . . . 0.0 110.013 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -60.99 -47.58 85.8 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.546 0.529 . . . . 0.0 109.735 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.504 ' HB3' HD23 ' A' ' 30' ' ' LEU . 9.1 mp -63.9 -45.81 87.66 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.54 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.57 ' HA ' HG12 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -66.35 -32.51 73.94 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 5.9 tmtm? -70.34 -29.19 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 0.0 110.173 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -77.1 -44.64 29.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.8 p -69.18 -19.88 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.082 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.104 176.529 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -56.61 -40.26 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.261 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -63.34 -43.32 98.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.873 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.69 -45.74 74.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.912 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -63.08 -39.54 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.526 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.56 77.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.897 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 13' ' ' ILE . 85.5 t -61.47 -50.25 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.237 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -54.43 -45.39 73.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -58.68 -49.36 77.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.973 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.73 ' HE3' ' HA ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.84 -41.9 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -175.463 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.6 pt -68.84 -34.55 65.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.657 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -63.19 -48.61 77.63 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' SER . . . . . 0.51 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 24.4 t -53.44 -47.78 69.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.816 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.5 mt -62.7 -51.82 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.246 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 44.3 mt-30 -67.1 -41.99 85.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.418 -175.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -68.04 -34.39 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . 0.486 HE21 ' HG ' ' A' ' 23' ' ' LEU . 25.6 tp60 -65.74 -45.79 81.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -62.04 -35.53 78.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.651 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.68 -50.64 71.67 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.095 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -62.86 -48.36 79.36 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.804 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.486 ' HG ' HE21 ' A' ' 19' ' ' GLN . 86.5 mt -60.43 -34.72 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.417 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.38 -47.54 78.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.24 -38.66 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.467 0.651 . . . . 0.0 110.139 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.45 -51.99 65.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.772 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.55 -28.55 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.4 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -60.32 -44.43 95.47 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.11 0.481 . . . . 0.0 110.185 175.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -63.57 -42.61 98.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.548 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.94 -46.71 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.855 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.659 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 65.7 pttt -68.67 -29.29 67.72 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.43 -26.78 46.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 0.0 109.875 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.7 tp -71.63 -50.73 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.739 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.46 -33.64 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.87 -74.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.077 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -71.8 -36.61 70.33 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.919 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -52.58 -57.26 10.56 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.769 0.668 . . . . 0.0 109.772 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.99 -54.35 39.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.583 0.552 . . . . 0.0 110.371 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.73 11.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 123.779 0.675 . . . . 0.0 111.753 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.41 -54.46 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 123.238 0.337 . . . . 0.0 111.06 -172.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -60.34 -42.07 94.91 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.414 0.446 . . . . 0.0 110.547 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -62.43 -50.96 69.43 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -62.73 -49.09 76.43 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 pt -64.17 -35.28 73.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.528 -175.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -64.84 -50.07 68.09 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -50.79 -46.08 59.45 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.964 0.79 . . . . 0.0 110.506 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.13 -55.91 27.26 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.791 0.682 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.96 -45.28 67.74 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.389 0.431 . . . . 0.0 110.81 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.23 -46.06 88.7 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.373 0.421 . . . . 0.0 110.309 -174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -71.05 -26.99 63.32 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -54.25 48.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.44 -38.19 77.72 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -57.66 -47.72 81.48 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 123.411 0.444 . . . . 0.0 109.825 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.98 -33.54 70.79 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.594 0.559 . . . . 0.0 110.806 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.677 ' HA ' HG13 ' B' ' 27' ' ' VAL . 43.8 mt-10 -67.7 -23.82 65.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.57 -41.48 75.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -73.26 -59.1 2.87 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 123.44 0.463 . . . . 0.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.677 HG13 ' HA ' ' B' ' 24' ' ' GLU . 14.0 p -56.86 -36.79 50.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 123.535 0.522 . . . . 0.0 111.631 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.35 -48.9 68.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 123.404 0.44 . . . . 0.0 110.701 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -79.98 -39.92 29.08 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.49 -60.3 3.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 123.872 0.732 . . . . 0.0 110.699 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.8 71.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 123.082 0.239 . . . . 0.0 110.479 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.13 -31.82 44.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.418 -174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.25 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.585 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.97 -27.34 27.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.012 0.434 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 179.418 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.364 0.602 . . . . 0.0 110.356 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -87.22 -73.34 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -71.91 -33.62 68.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.98 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.79 -50.31 73.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.586 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . 0.493 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 5.8 tp10 -66.06 -38.72 89.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.222 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -58.16 -55.4 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.974 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.99 -45.64 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 67.4 ttt180 -53.52 -52.0 61.04 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.83 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -62.98 -43.05 99.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.766 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 59.0 mtpt -58.16 -61.06 2.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 14' ' ' ARG . 2.8 pp -67.89 -33.1 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -172.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' HD11 ' A' ' 13' ' ' ILE . 6.6 tpt180 -75.74 -37.19 59.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.853 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 p -68.96 -39.09 79.69 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 92.7 mt -62.34 -45.77 91.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.276 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.24 -47.67 80.78 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.03 -54.28 47.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -55.56 -48.23 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.339 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -49.22 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -69.6 -42.91 73.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.319 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.13 -36.82 75.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.94 -41.1 95.6 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.1 -43.14 99.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.71 -44.77 73.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.605 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.53 -36.02 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.06 81.06 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 121.012 0.434 . . . . 0.0 110.136 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.56 -45.43 91.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.343 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.55 -47.69 82.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.836 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.747 ' HA ' HG13 ' A' ' 34' ' ' VAL . 56.4 pttt -74.66 -19.09 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.927 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.29 -46.47 67.12 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.196 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.747 HG13 ' HA ' ' A' ' 31' ' ' LYS . 8.6 p -80.12 -20.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.045 0.45 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.49 -43.41 37.34 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.834 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 120.943 0.401 . . . . 0.0 110.062 175.987 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 110.78 -0.082 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.2 -75.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 tp -47.59 -67.37 0.28 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.079 0.862 . . . . 0.0 112.874 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.17 -37.91 87.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.336 0.397 . . . . 0.0 111.295 -169.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -55.93 28.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 123.509 0.506 . . . . 0.0 110.41 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.14 -38.83 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 O-C-N 123.454 0.471 . . . . 0.0 110.204 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . 0.402 ' O ' HG13 ' B' ' 13' ' ' ILE . 33.6 ttp180 -52.83 -50.25 64.08 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.834 0.709 . . . . 0.0 111.902 -174.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -71.61 -35.06 70.35 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 118.018 0.372 . . . . 0.0 110.291 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.27 -41.51 89.76 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.292 0.37 . . . . 0.0 110.671 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 10' ' ' ARG . 2.8 pp -70.7 -25.9 27.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -72.41 -34.06 67.59 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -55.43 -45.17 76.81 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.21 -44.18 97.17 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.134 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . 0.878 ' HA ' HE21 ' B' ' 17' ' ' GLN . 0.0 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.129 0.268 . . . . 0.0 110.448 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.18 -47.88 80.12 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.549 0.531 . . . . 0.0 109.78 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -55.23 -58.96 5.56 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.935 0.772 . . . . 0.0 110.294 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -54.16 -43.01 70.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.681 0.613 . . . . 0.0 110.88 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.99 -59.38 5.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.645 0.59 . . . . 0.0 110.677 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . 0.599 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 17.4 m-70 -67.35 -36.05 80.61 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 123.355 0.409 . . . . 0.0 111.044 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . 0.409 ' O ' HG11 ' B' ' 27' ' ' VAL . 4.6 tt -48.85 -54.6 14.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.874 0.734 . . . . 0.0 109.849 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.36 -57.49 10.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.449 0.468 . . . . 0.0 111.826 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . 0.599 ' OD1' ' HA ' ' B' ' 22' ' ' HIS . 2.3 p-10 -64.21 -38.57 91.52 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 117.853 0.297 . . . . 0.0 110.439 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.1 tp10 -66.8 -51.22 58.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.409 HG11 ' O ' ' B' ' 23' ' ' LEU . 9.2 p -67.02 -35.63 75.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.971 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -59.1 -51.5 69.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.434 0.459 . . . . 0.0 109.841 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -59.35 -53.78 54.33 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 123.755 0.659 . . . . 0.0 110.249 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.03 -56.45 16.01 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 123.88 0.737 . . . . 0.0 111.696 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.971 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 54.9 pttt -62.08 -39.25 91.81 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 123.411 0.444 . . . . 0.0 110.96 -173.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . 0.542 ' C ' ' HD3' ' B' ' 32' ' ' LYS . 13.5 tmtt? -74.99 -42.74 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.463 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.64 -44.7 96.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.886 -173.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.78 -35.26 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 111.527 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 -176.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.589 0.233 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -66.18 -35.62 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.674 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -61.88 -50.3 72.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.9 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.675 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.17 -33.86 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.88 -45.28 93.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 109.91 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 13' ' ' ILE . 60.4 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.357 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -52.57 -52.34 55.54 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.384 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 11' ' ' ARG . 19.1 ttm-85 -62.78 -41.62 99.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 110.414 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 18.8 tptm -62.57 -55.1 30.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.108 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 38.5 pt -65.48 -38.0 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.337 -177.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -63.27 -47.86 80.59 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -59.57 -46.4 89.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.118 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 88.9 mt -62.25 -46.1 90.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.658 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 79.4 mt-30 -59.51 -44.27 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.023 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.57 -39.11 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.05 -47.51 84.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.276 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -59.16 -42.38 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.74 -46.65 88.49 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.968 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -60.67 -52.29 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.766 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.78 -45.16 86.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.15 -50.01 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.132 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASN . . . . . 0.572 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 39.2 m-80 -71.22 -37.12 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.023 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -66.86 -44.36 81.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.63 -30.89 48.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.93 99.86 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.39 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mpt_? -65.28 -42.59 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 176.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.98 -47.3 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.736 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HA ' HG12 ' A' ' 34' ' ' VAL . 55.5 pttt -63.99 -32.87 74.56 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.45 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.52 -43.92 88.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.08 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.02 -46.71 73.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.175 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 31' ' ' LYS . 13.5 p -73.2 -35.69 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.576 0.226 . . . . 0.0 111.521 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.19 -43.54 25.64 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.357 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.483 0.659 . . . . 0.0 111.802 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -58.39 -46.55 86.17 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.528 0.518 . . . . 0.0 110.721 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -50.03 -58.68 4.98 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 123.808 0.693 . . . . 0.0 111.015 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.3 -48.14 65.72 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 123.37 0.419 . . . . 0.0 110.538 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.0 62.21 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.672 0.607 . . . . 0.0 111.237 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.62 -54.71 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 O-C-N 123.357 0.411 . . . . 0.0 110.418 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -53.12 -47.55 68.56 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.449 0.468 . . . . 0.0 110.728 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -56.1 -42.33 76.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.745 0.653 . . . . 0.0 111.019 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -79.82 -48.22 13.9 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.498 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ILE . . . . . 0.407 HD12 ' N ' ' B' ' 14' ' ' ARG . 2.9 pp -66.75 -29.97 48.14 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 CA-C-O 119.62 -0.229 . . . . 0.0 111.27 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' ARG . . . . . 0.407 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.0 ptm180 -69.96 -28.99 66.01 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 46.9 t -71.95 -38.67 69.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.9 -45.21 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.51 -41.74 86.1 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.315 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.59 -53.19 60.89 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -56.58 -47.86 78.61 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 123.649 0.593 . . . . 0.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -55.3 34.55 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.478 0.487 . . . . 0.0 110.616 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.02 -50.97 71.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 123.852 0.72 . . . . 0.0 110.397 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.2 -50.32 73.95 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 123.806 0.691 . . . . 0.0 110.353 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.02 -53.92 52.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 123.455 0.472 . . . . 0.0 110.653 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' GLU . . . . . 0.495 ' HA ' HG11 ' B' ' 27' ' ' VAL . 37.1 tt0 -61.7 -43.78 98.2 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 123.513 0.508 . . . . 0.0 110.489 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.42 -49.73 76.42 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.575 0.547 . . . . 0.0 110.287 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -41.37 72.92 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' B' ' 24' ' ' GLU . 9.9 p -66.89 -32.7 59.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' ALA . . . . . 0.654 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -45.37 91.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -57.42 -48.25 79.62 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.364 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LEU . . . . . 0.463 HD22 HG13 ' A' ' 34' ' ' VAL . 57.8 tp -61.51 -51.39 68.82 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.116 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.654 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 62.1 pttt -64.55 -33.38 75.77 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 123.277 0.361 . . . . 0.0 110.14 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.97 -42.0 70.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.671 0.272 . . . . 0.0 110.358 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.84 -50.69 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.634 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.78 -26.77 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.376 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.26 -179.268 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -169.53 -52.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.265 0.555 . . . . 0.0 109.957 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.09 162.21 34.99 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -70.17 -46.8 63.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.029 0.415 . . . . 0.0 110.129 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -63.84 -38.94 92.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.162 0.506 . . . . 0.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -68.06 -44.59 76.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.614 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.21 -41.2 86.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.323 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -58.72 -47.63 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.078 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.69 -51.92 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -60.25 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.459 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -67.15 -32.14 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.669 0.271 . . . . 0.0 110.685 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.41 -51.93 51.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.467 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 2.8 pp -72.04 -28.02 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.571 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -66.93 -35.07 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.618 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.76 -46.13 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.08 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.467 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 78.1 mt-30 -62.01 -38.42 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.65 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.69 -47.63 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.65 -40.59 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.462 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -58.37 8.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.491 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -69.12 -35.38 76.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.65 -50.97 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.537 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.06 -39.94 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.15 -53.19 59.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.593 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -72.02 -31.8 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.45 -51.91 65.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.533 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.4 p -71.83 -27.57 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.437 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -61.32 -50.7 71.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.251 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.78 -34.42 78.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.313 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.41 HD13 ' HB3' ' B' ' 31' ' ' LYS . 3.7 tt -59.57 -59.01 6.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.416 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 61.5 pttt -71.39 -19.45 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.331 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.437 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptt -71.4 -41.31 69.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.505 HD12 ' HD3' ' A' ' 37' ' ' ARG . 66.4 tp -67.44 -52.12 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.602 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' B' ' 34' ' ' VAL . 14.7 p -82.46 -26.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.603 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.21 -61.86 3.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.657 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -145.26 114.57 7.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.505 ' HD3' HD12 ' A' ' 33' ' ' LEU . 13.5 tpt85 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.456 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.919 -0.472 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 65.31 32.95 9.47 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.059 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.17 -172.76 49.08 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.613 -0.804 . . . . 0.0 112.014 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -64.79 -22.02 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.928 0.394 . . . . 0.0 111.004 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -66.21 -33.33 75.51 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.777 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -85.03 -49.68 8.1 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.101 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -52.08 -74.93 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 O-C-N 123.999 0.812 . . . . 0.0 112.717 -171.623 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.4 -47.06 85.8 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.311 0.382 . . . . 0.0 111.166 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.94 -55.03 10.89 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 123.756 0.66 . . . . 0.0 111.594 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.84 -46.29 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 123.203 0.314 . . . . 0.0 110.246 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.446 ' C ' ' HD3' ' B' ' 10' ' ' ARG . 2.7 tmt_? -57.68 -47.92 80.96 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.539 0.524 . . . . 0.0 110.762 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -53.72 -47.88 70.13 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.222 0.326 . . . . 0.0 110.384 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.506 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 51.1 mtpt -63.0 -56.64 15.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.416 0.447 . . . . 0.0 110.745 -176.273 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.53 -27.43 42.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 O-C-N 123.094 0.246 . . . . 0.0 110.632 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' B' ' 14' ' ' ARG . 1.2 tmm_? -63.27 -55.03 28.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.8 m -64.98 -39.1 92.97 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 -175.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.506 ' HG ' ' O ' ' B' ' 12' ' ' LYS . 94.6 mt -55.04 -47.98 74.05 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 123.397 0.435 . . . . 0.0 110.142 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -60.65 -51.81 67.82 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.556 0.535 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.83 -49.28 75.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.779 0.675 . . . . 0.0 110.447 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.421 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.1 tp60 -55.15 -58.66 6.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.642 0.589 . . . . 0.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -70.97 -25.31 62.66 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.828 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.89 -51.69 68.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -61.87 -40.86 96.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.009 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.49 ' O ' HG22 ' B' ' 27' ' ' VAL . 94.7 mt -59.68 -49.41 77.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.523 0.515 . . . . 0.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.58 -44.68 93.26 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.46 0.475 . . . . 0.0 110.05 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.406 ' N ' HD21 ' B' ' 25' ' ' ASN . 0.9 OUTLIER -59.44 -42.24 91.47 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.497 0.498 . . . . 0.0 109.837 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.18 -52.93 63.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.49 HG22 ' O ' ' B' ' 23' ' ' LEU . 97.0 t -52.97 -46.51 53.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 123.747 0.654 . . . . 0.0 110.69 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.38 -58.16 6.32 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 123.662 0.601 . . . . 0.0 111.574 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.438 ' HD3' ' HA ' ' B' ' 29' ' ' ARG . 13.1 mmt180 -66.38 -38.73 88.19 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.743 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.53 -49.66 75.79 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.302 0.376 . . . . 0.0 111.037 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.41 ' HB3' HD13 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -67.17 -30.62 70.64 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -176.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -70.72 -38.15 73.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.298 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.39 -43.13 95.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.467 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 12.3 p -77.41 -29.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.719 0.295 . . . . 0.0 111.084 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.63 -54.09 6.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.608 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -83.47 80.48 9.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 . . . . . 0 C--O 1.25 1.132 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.9 -174.326 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -105.45 -172.78 2.16 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.85 56.88 4.28 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.82 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -80.38 -48.44 12.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.802 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.0 m -60.15 -48.14 82.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.274 176.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.72 -46.12 90.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.807 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.01 -48.35 81.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.005 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.63 76.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.599 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.2 -41.75 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.942 -178.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.52 -46.73 88.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.977 0.418 . . . . 0.0 110.084 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.19 -37.0 84.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.152 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 53.8 tptt -63.45 -52.87 59.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.12 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -65.26 -31.38 53.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.853 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -62.5 -51.12 68.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -60.46 -39.72 88.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.674 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.6 mt -57.9 -58.17 9.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.957 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -64.57 -37.41 87.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.954 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.82 -44.95 88.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.722 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.494 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 tp60 -65.17 -39.52 93.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.272 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.407 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -64.5 -40.82 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.692 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.429 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 47.1 t80 -60.14 -44.21 95.12 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.308 0.575 . . . . 0.0 109.885 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.475 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 8.2 t-80 -66.08 -34.65 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.007 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 90.8 mt -69.11 -34.86 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.466 176.368 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 39.9 mt-10 -55.74 -57.35 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.698 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.475 ' OD1' ' HA ' ' A' ' 22' ' ' HIS . 2.9 p-10 -66.81 -30.57 70.79 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.818 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -57.73 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.524 176.016 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.456 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 95.0 t -60.44 -41.06 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.687 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -58.28 -44.05 88.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -64.02 -45.15 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.16 -43.2 74.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.012 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.687 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 62.6 pttt -72.05 -26.42 62.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.907 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -71.58 -42.67 67.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.83 -45.2 94.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.778 HG12 HD11 ' B' ' 30' ' ' LEU . 8.1 p -79.15 -22.35 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 110.684 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.24 37.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.517 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 64.91 177.4 0.19 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.899 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -118.52 102.72 9.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.813 0.339 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.47 -154.94 24.3 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.512 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -101.19 47.2 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 111.07 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m -55.95 -61.51 2.32 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.784 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.459 ' O ' HG22 ' B' ' 9' ' ' VAL . 11.3 m -62.04 -49.9 74.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.481 0.488 . . . . 0.0 110.382 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.19 -59.76 3.62 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 124.038 0.836 . . . . 0.0 110.961 -175.154 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.09 -42.46 99.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.318 0.386 . . . . 0.0 110.838 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.84 82.26 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.446 0.466 . . . . 0.0 110.947 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.459 HG22 ' O ' ' B' ' 5' ' ' SER . 97.7 t -56.54 -45.38 82.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 123.534 0.522 . . . . 0.0 111.023 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -58.88 -52.07 67.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.487 0.492 . . . . 0.0 110.435 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.52 -32.97 73.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -64.23 -56.59 13.62 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.88 -26.68 30.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 O-C-N 123.047 0.217 . . . . 0.0 110.644 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -56.33 -52.99 62.51 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -56.64 -44.39 81.25 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.961 0.788 . . . . 0.0 110.294 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.1 -50.98 69.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 123.231 0.332 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.48 -55.25 33.92 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.395 0.435 . . . . 0.0 111.112 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.27 -32.47 74.14 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.383 0.427 . . . . 0.0 110.881 -172.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -53.57 -38.79 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.507 0.505 . . . . 0.0 110.668 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.48 -57.77 8.13 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.884 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -56.45 -42.0 77.42 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 123.684 0.615 . . . . 0.0 111.152 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -55.36 -49.04 73.31 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.602 0.564 . . . . 0.0 110.053 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.56 -51.76 39.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.546 0.529 . . . . 0.0 110.106 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.13 -48.68 67.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 123.818 0.699 . . . . 0.0 111.225 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.472 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 22.7 m-80 -64.2 -50.29 68.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.299 0.374 . . . . 0.0 110.678 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -68.22 -43.09 78.74 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.302 0.376 . . . . 0.0 110.821 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.54 -33.51 63.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.82 99.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.472 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 20.4 mmt85 -62.89 -51.51 66.7 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.778 HD11 HG12 ' A' ' 34' ' ' VAL . 53.4 tp -58.94 -49.57 77.32 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.655 0.597 . . . . 0.0 110.062 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -53.72 -50.82 65.1 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 124.073 0.858 . . . . 0.0 110.653 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -71.42 -38.85 71.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.259 0.35 . . . . 0.0 111.769 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.131 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.12 -19.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.164 0.507 . . . . 0.0 110.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.81 -75.71 1.07 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.947 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.61 138.98 18.49 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -172.069 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.53 172.372 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -157.3 -42.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.44 179.49 50.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.656 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -66.86 -24.86 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.568 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -64.18 -28.18 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.749 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.52 ' O ' HG22 ' A' ' 9' ' ' VAL . 45.8 m -68.0 -42.33 80.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.357 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.88 -43.48 92.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.949 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.84 97.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.52 HG22 ' O ' ' A' ' 5' ' ' SER . 74.9 t -62.91 -47.4 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -56.46 -45.64 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 110.219 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -51.35 69.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.191 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.0 ttmt -63.74 -49.37 73.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.672 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -62.52 -36.97 77.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.318 -175.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -72.02 -37.05 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -67.13 -37.39 83.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.919 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 81.3 mt -67.57 -38.4 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.44 -44.44 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . 0.514 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 15.6 tp10 -57.27 -54.76 43.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.843 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -57.37 -42.52 82.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.371 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.47 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -69.22 -55.71 9.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.217 -178.259 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.82 -44.27 81.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.506 0.669 . . . . 0.0 110.334 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.514 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.7 t60 -61.1 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.274 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD13 HG21 ' B' ' 27' ' ' VAL . 35.7 tp -74.44 -37.42 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.35 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.47 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 48.1 mt-10 -58.21 -48.36 80.6 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.22 -44.0 96.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.03 -57.12 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.306 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.429 HG12 ' O ' ' A' ' 23' ' ' LEU . 11.8 p -61.72 -35.92 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.856 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.83 -48.15 82.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 177.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -76.43 -26.65 55.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.166 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.1 -53.18 49.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.832 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.569 ' HA ' HG11 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.89 -20.8 62.47 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.473 179.151 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.62 -43.32 89.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.018 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.1 -52.47 12.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.541 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.569 HG11 ' HA ' ' A' ' 31' ' ' LYS . 11.8 p -73.43 -29.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.39 -41.36 7.43 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.522 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 62.94 -166.58 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 0.0 111.258 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 . . . . . 0 C--O 1.244 0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.067 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -75.64 126.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.04 173.27 35.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -58.43 -43.39 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.167 0.483 . . . . 0.0 111.056 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.9 p -62.34 -37.33 85.23 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.467 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -81.82 -58.69 2.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.069 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 tp -56.2 -53.77 53.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.94 0.496 . . . . 0.0 111.529 -170.774 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.6 -32.19 71.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 123.072 0.233 . . . . 0.0 110.543 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.56 33.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.513 ' O ' HG12 ' B' ' 13' ' ' ILE . 89.6 t -57.91 -47.98 85.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 123.657 0.598 . . . . 0.0 109.865 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -48.98 -55.39 12.04 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.955 0.784 . . . . 0.0 110.178 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.5 -46.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.473 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.38 -58.55 4.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.214 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.513 HG12 ' O ' ' B' ' 9' ' ' VAL . 37.2 pt -61.66 -35.54 67.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 O-C-N 122.992 0.183 . . . . 0.0 111.032 -172.674 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.28 -47.02 86.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -62.1 -42.8 99.59 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 123.558 0.536 . . . . 0.0 110.143 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 98.3 mt -57.05 -48.24 79.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 123.568 0.542 . . . . 0.0 110.461 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.25 -47.44 84.38 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.522 0.514 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.4 56.5 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.86 0.725 . . . . 0.0 109.866 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.33 -46.52 89.63 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.49 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 10.4 m-80 -56.57 -47.37 79.66 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.326 0.391 . . . . 0.0 110.811 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.07 -41.13 96.05 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -62.24 -51.09 69.15 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.917 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.8 -52.9 54.97 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.828 0.705 . . . . 0.0 111.171 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.49 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 46.3 mt-10 -51.12 -52.35 44.61 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.92 0.762 . . . . 0.0 111.239 -175.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -71.62 -33.47 68.99 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.397 0.436 . . . . 0.0 110.75 -173.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.83 -50.5 20.1 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.493 HG21 HD13 ' A' ' 23' ' ' LEU . 9.9 p -64.8 -25.82 38.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.18 93.61 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.68 -43.89 69.27 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.699 0.624 . . . . 0.0 110.628 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' B' ' 27' ' ' VAL . 8.3 mp -58.95 -61.45 2.62 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 123.517 0.511 . . . . 0.0 110.487 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.619 ' HA ' HG12 ' B' ' 34' ' ' VAL . 52.7 pttt -69.53 -25.04 63.83 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.627 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.53 -44.5 62.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.845 0.355 . . . . 0.0 110.477 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -69.49 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.619 HG12 ' HA ' ' B' ' 31' ' ' LYS . 9.0 p -82.12 -19.5 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.53 -52.86 27.77 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.588 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 63.1 -172.05 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.348 0.594 . . . . 0.0 111.525 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.402 HH11 ' HD2' ' B' ' 37' ' ' ARG . 17.4 ttp180 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.975 173.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -94.68 26.56 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.133 0.492 . . . . 0.0 110.803 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.81 -176.47 14.45 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.749 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m 65.39 14.16 9.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.147 0.499 . . . . 0.0 110.726 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -68.27 -29.27 68.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.521 ' O ' HG21 ' A' ' 9' ' ' VAL . 4.0 p -62.01 -47.57 84.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.385 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.47 -46.37 90.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.71 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.14 -50.11 72.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.755 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.64 88.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.17 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.521 HG21 ' O ' ' A' ' 5' ' ' SER . 78.4 t -64.83 -53.84 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 111.048 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -37.57 88.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.422 0.629 . . . . 0.0 109.807 -178.355 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -61.14 -49.15 78.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.704 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.773 ' HE3' ' HA ' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -64.13 -48.48 75.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.166 -177.248 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.404 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 38.6 pt -62.32 -39.47 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.023 -177.452 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.52 -45.19 94.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 110.41 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -61.28 -47.03 87.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.501 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.689 HD12 HD11 ' B' ' 16' ' ' LEU . 95.8 mt -63.87 -47.74 79.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.404 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 76.9 mt-30 -54.96 -53.64 53.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.911 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.88 -43.97 97.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.311 0.382 . . . . 0.0 110.849 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.543 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 tp-100 -62.36 -43.63 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.409 HD21 ' N ' ' A' ' 20' ' ' ASN . 0.9 OUTLIER -63.95 -44.97 91.2 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 0.0 109.782 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.07 -41.96 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.495 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.543 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 85.8 mt -57.11 -53.72 54.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.865 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.417 ' HA ' HG11 ' A' ' 27' ' ' VAL . 7.7 mm-40 -62.9 -40.59 98.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.778 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.423 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 22.0 m-80 -64.92 -44.67 88.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 110.609 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.31 -40.38 70.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.027 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 7.8 p -68.57 -30.69 48.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.4 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -61.63 -43.19 99.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 2.8 mpt_? -56.57 -50.12 72.86 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.09 -54.7 44.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.687 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HA ' HG11 ' A' ' 34' ' ' VAL . 62.5 pttt -71.68 -25.11 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.622 -175.09 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 32' ' ' LYS . 42.8 tptt -80.5 -22.21 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 tp -76.77 -39.13 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.439 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.487 HG11 ' HA ' ' A' ' 31' ' ' LYS . 8.9 p -84.48 -35.14 10.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.835 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.33 -48.97 7.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 57.08 -153.07 0.38 Allowed 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.625 0.37 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.288 177.236 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 0.0 111.035 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.97 79.17 1.44 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.472 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.37 87.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.902 0.382 . . . . 0.0 110.593 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -71.31 -43.17 67.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' SER . . . . . 0.4 ' O ' HG23 ' B' ' 9' ' ' VAL . 14.9 m -63.6 -35.77 81.62 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.713 0.633 . . . . 0.0 110.271 -178.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.86 -46.4 67.83 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.79 0.681 . . . . 0.0 109.694 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -54.72 -52.62 61.91 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.575 0.547 . . . . 0.0 110.446 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.98 68.89 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.572 0.545 . . . . 0.0 110.385 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . 0.418 ' O ' HG12 ' B' ' 13' ' ' ILE . 85.7 t -57.61 -43.73 83.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 123.582 0.551 . . . . 0.0 110.336 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.416 HH11 ' HD2' ' B' ' 10' ' ' ARG . 44.7 ttm180 -50.63 -61.74 2.02 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 123.797 0.686 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -67.49 -34.3 76.85 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . 0.779 ' HE3' ' HA ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -57.35 -59.77 4.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.378 0.424 . . . . 0.0 110.396 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.529 ' HA ' HD12 ' B' ' 16' ' ' LEU . 38.2 pt -65.3 -35.04 74.42 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 123.203 0.314 . . . . 0.0 110.661 -174.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -69.56 -40.68 76.63 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m -61.17 -42.26 98.24 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . 0.689 HD11 HD12 ' A' ' 16' ' ' LEU . 84.1 mt -55.59 -49.6 72.31 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 123.506 0.504 . . . . 0.0 109.763 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.421 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 75.4 mt-30 -53.16 -53.32 52.2 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.443 0.464 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -61.29 2.27 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.755 0.659 . . . . 0.0 109.839 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.77 -40.03 75.13 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 123.504 0.502 . . . . 0.0 111.927 -172.719 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.446 ' N ' HD21 ' B' ' 20' ' ' ASN . 0.9 OUTLIER -65.04 -52.37 56.31 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.62 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.14 -41.99 93.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -56.29 -59.72 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.0 -31.92 69.84 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 123.332 0.395 . . . . 0.0 110.871 -174.222 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.52 -48.53 81.31 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.554 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 30.9 m-80 -68.59 -39.69 80.83 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -52.33 -59.53 4.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 123.818 0.699 . . . . 0.0 110.48 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.94 -36.05 74.02 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.04 83.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.255 0.347 . . . . 0.0 110.582 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.554 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 28.6 mmm180 -62.23 -37.43 85.35 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.6 tp -70.31 -46.01 65.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.581 0.551 . . . . 0.0 110.638 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.17 63.95 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -73.0 -27.5 61.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.439 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.73 -43.4 93.5 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.085 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.67 -37.07 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.06 -61.27 1.68 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.718 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 59.41 76.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.535 0.734 . . . . 0.0 111.883 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.303 172.078 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -135.38 127.61 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.09 -77.23 2.15 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.981 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -52.48 63.63 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -69.37 -46.09 67.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.459 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -53.82 -50.43 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.034 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.66 -46.21 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.445 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.006 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -54.67 41.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.412 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 13' ' ' ILE . 58.6 t -63.69 -37.56 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.227 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.88 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -67.01 -35.53 80.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.545 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -61.95 -55.21 31.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.733 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.405 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.2 pt -66.01 -33.21 62.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.215 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -62.07 -43.33 99.06 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.813 0.34 . . . . 0.0 110.292 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 m -65.66 -40.42 92.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.408 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.78 -43.13 97.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.45 -45.69 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.702 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.62 -45.47 91.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.408 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.9 tt0 -58.2 -48.1 81.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.412 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -54.83 -48.12 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.359 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.64 -46.53 84.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.032 0.444 . . . . 0.0 110.514 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . 0.469 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 20.1 t-80 -71.31 -32.5 68.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.136 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.408 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 72.3 mt -67.95 -40.84 83.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.576 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.24 -46.05 85.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.861 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.585 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 18.2 p30 -75.44 -19.68 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.576 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . 0.469 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 4.3 tp10 -66.3 -56.78 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.5 -33.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.226 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.12 99.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.702 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.585 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 1.4 mpt_? -58.16 -52.84 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.503 ' HB3' HD22 ' B' ' 30' ' ' LEU . 11.2 mp -60.89 -45.61 93.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.881 -176.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' HA ' HG12 ' A' ' 34' ' ' VAL . 59.8 pttt -74.64 -23.27 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.246 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -80.82 -27.0 36.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.348 0.594 . . . . 0.0 109.793 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -51.52 12.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.82 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 HG12 ' HA ' ' A' ' 31' ' ' LYS . 12.2 p -75.52 -27.36 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.07 0.462 . . . . 0.0 110.71 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.28 -22.02 76.77 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.001 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 62.78 -155.67 0.34 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 124.054 0.502 . . . . 0.0 110.385 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.894 -0.574 . . . . 0.0 109.809 178.564 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 58.96 25.38 13.7 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.755 0.422 . . . . 0.0 111.471 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.5 143.28 3.62 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -115.64 -76.35 0.58 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.7 m -70.67 -35.39 72.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -66.63 -23.0 66.11 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 123.643 0.589 . . . . 0.0 109.914 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.402 ' HG ' ' NH2' ' B' ' 10' ' ' ARG . 42.7 tp -85.57 -62.2 1.58 Allowed 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -55.66 -63.08 1.29 Allowed 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.845 0.716 . . . . 0.0 111.875 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.73 55.03 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.629 0.58 . . . . 0.0 111.517 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.3 -41.89 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 123.395 0.434 . . . . 0.0 110.393 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.402 ' NH2' ' HG ' ' B' ' 6' ' ' LEU . 32.3 ttm180 -57.02 -50.75 71.78 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -57.54 -40.99 80.05 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 123.482 0.489 . . . . 0.0 110.283 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -66.82 -52.48 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.732 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.91 -30.31 49.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.66 -45.82 92.66 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -57.85 -39.04 76.79 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 123.543 0.527 . . . . 0.0 109.842 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.22 -49.22 76.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.421 0.451 . . . . 0.0 109.929 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.456 ' O ' ' HB2' ' B' ' 20' ' ' ASN . 76.7 mt-30 -59.73 -49.11 79.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.301 0.376 . . . . 0.0 111.191 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 -28.0 65.78 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . 0.44 HE21 ' HG ' ' B' ' 23' ' ' LEU . 22.9 tp60 -66.12 -35.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.456 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.9 OUTLIER -52.45 -68.6 0.16 Allowed 'General case' 0 CA--C 1.515 -0.385 0 O-C-N 124.167 0.917 . . . . 0.0 110.718 179.542 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -54.22 -38.54 65.8 Favored 'General case' 0 C--O 1.212 -0.899 0 O-C-N 123.868 0.73 . . . . 0.0 110.721 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -60.98 -54.53 43.84 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.689 0.618 . . . . 0.0 109.84 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.44 ' HG ' HE21 ' B' ' 19' ' ' GLN . 93.2 mt -64.76 -38.83 92.32 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.492 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.25 -38.1 82.42 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.96 -45.49 81.57 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 123.628 0.58 . . . . 0.0 109.765 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -44.48 42.73 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 123.943 0.777 . . . . 0.0 110.827 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -55.62 -57.87 6.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.36 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.816 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -43.03 99.01 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 123.289 0.368 . . . . 0.0 110.29 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -50.53 -42.98 55.8 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 124.349 1.031 . . . . 0.0 110.247 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.503 HD22 ' HB3' ' A' ' 30' ' ' LEU . 6.7 tt -85.33 -51.44 6.57 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.705 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.816 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 64.1 pttt -57.72 -40.46 79.65 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.201 0.313 . . . . 0.0 111.54 -170.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.61 -33.44 72.77 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.949 0.405 . . . . 0.0 110.85 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.6 tm? -82.63 -42.7 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.229 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.622 HG11 ' HA ' ' B' ' 31' ' ' LYS . 7.2 p -68.73 -24.02 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.3 73.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.566 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.86 177.46 0.17 Allowed 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.266 0.626 . . . . 0.0 112.266 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.96 179.137 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -98.72 -163.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.82 -105.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -96.17 -3.5 44.28 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 t -54.11 -54.07 44.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.782 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -57.55 -52.21 66.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.14 -47.33 85.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.23 -40.5 90.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.416 ' O ' ' HB2' ' A' ' 12' ' ' LYS . . . -62.13 -51.26 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.449 -177.687 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.51 -33.4 56.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.718 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -62.33 -57.89 9.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.132 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -67.41 -24.43 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.542 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.449 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 tppt? -59.63 -59.71 5.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.85 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.79 -29.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.06 -50.31 73.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.753 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.56 -41.62 92.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.449 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 94.1 mt -62.32 -49.32 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.564 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.27 -45.56 87.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.501 0.191 . . . . 0.0 110.982 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -59.27 -50.3 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.603 HE21 ' HG ' ' A' ' 23' ' ' LEU . 19.4 tp60 -61.86 -44.33 97.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -59.53 -51.61 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.316 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.47 -39.05 88.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.694 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.02 -48.91 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.603 ' HG ' HE21 ' A' ' 19' ' ' GLN . 86.9 mt -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -51.96 60.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.889 0.376 . . . . 0.0 110.522 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.66 -38.82 87.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.491 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.28 -45.52 80.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 111.261 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.32 -38.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.361 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -42.14 99.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.831 176.092 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.19 -51.26 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.534 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.533 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.68 -31.17 71.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 -177.74 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . 0.533 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 20.7 tptm -71.33 -42.01 69.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.41 -46.38 90.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.071 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.5 p -70.03 -27.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 0.0 110.672 179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.85 -19.49 78.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.262 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.927 176.344 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -137.88 164.04 29.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.89 56.22 0.29 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.779 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m 67.82 23.7 8.4 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.017 0.527 . . . . 0.0 111.138 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -67.1 -57.41 6.85 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.328 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -33.64 76.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.474 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.93 -63.94 1.04 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.58 0.55 . . . . 0.0 110.595 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.04 -41.3 78.4 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.555 0.534 . . . . 0.0 110.753 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.98 10.05 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.528 0.518 . . . . 0.0 110.464 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.44 -41.49 88.78 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 123.288 0.367 . . . . 0.0 110.374 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -58.64 -49.63 76.81 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.335 0.397 . . . . 0.0 109.95 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.95 -40.03 95.5 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -62.53 -52.03 65.04 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.761 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.39 -27.88 38.4 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -62.98 -49.13 75.91 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -54.54 -40.07 68.3 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.842 0.714 . . . . 0.0 110.459 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.5 -60.55 3.49 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 123.522 0.514 . . . . 0.0 110.416 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -63.55 -37.46 87.42 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.555 0.534 . . . . 0.0 109.824 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -55.54 -52.19 64.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 123.937 0.773 . . . . 0.0 110.212 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.05 -37.89 66.69 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.931 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -51.93 65.67 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.492 0.495 . . . . 0.0 111.056 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.19 -45.34 83.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -61.69 -51.45 68.35 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.329 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.48 -52.46 64.64 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.687 0.617 . . . . 0.0 110.631 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.55 -42.62 71.16 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.569 0.543 . . . . 0.0 110.905 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 29.9 m-80 -73.5 -43.85 59.14 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.03 -54.2 49.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.697 0.623 . . . . 0.0 110.757 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.651 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 11.7 p -58.66 -38.92 74.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.25 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 1.009 ' HA ' ' HE3' ' B' ' 31' ' ' LYS . . . -59.36 -46.55 88.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.286 0.366 . . . . 0.0 110.308 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 86.7 mtt180 -58.81 -55.05 40.15 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 123.98 0.8 . . . . 0.0 109.814 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.17 -65.93 0.49 Allowed 'General case' 0 C--O 1.222 -0.388 0 O-C-N 123.949 0.781 . . . . 0.0 112.159 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 1.009 ' HE3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -61.77 -30.8 71.04 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.173 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.461 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 34.1 ttpt -71.21 -37.82 72.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.598 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.401 HD23 ' HA ' ' B' ' 33' ' ' LEU . 1.3 tm? -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.465 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.86 -26.0 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 111.209 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.15 76.79 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.101 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 64.2 -164.38 0.25 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.766 0.426 . . . . 0.0 110.545 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 119.055 -0.497 . . . . 0.0 110.439 176.37 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.271 -0.332 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -136.63 16.45 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.563 . . . . 0.0 110.629 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.12 127.64 1.79 Allowed Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.93 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -71.32 -32.66 68.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 m -63.31 -41.89 98.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -66.34 -35.02 79.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.232 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.09 -52.49 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.246 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.6 -33.42 75.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.178 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -53.11 53.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.961 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.4 ' O ' HG12 ' A' ' 13' ' ' ILE . 87.7 t -66.44 -40.92 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -59.15 -49.98 75.78 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -178.254 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -60.08 -45.72 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.149 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.98 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.291 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.489 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 36.5 pt -64.94 -35.28 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.564 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -69.42 -37.77 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.352 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 t -63.51 -36.28 83.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.86 -41.85 99.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.665 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.489 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 73.6 mt-30 -59.55 -48.78 80.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 176.693 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.136 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -59.64 -40.48 87.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.644 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -58.54 7.96 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.523 175.888 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -58.03 -37.55 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -60.66 -50.28 74.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.861 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.24 -45.13 77.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.14 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 46.8 mt-10 -53.53 -55.89 21.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 -178.859 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.26 -40.69 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.205 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.49 -48.34 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.437 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.54 -30.93 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.911 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -64.28 -43.18 95.61 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -66.97 -39.55 87.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.556 HD12 ' HB3' ' B' ' 31' ' ' LYS . 4.8 tt -66.0 -51.67 56.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.444 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.911 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 63.4 pttt -63.87 -34.39 77.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.008 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -69.08 -33.51 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.21 -40.21 38.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.511 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.55 HG11 ' HA ' ' A' ' 31' ' ' LYS . 14.8 p -70.79 -30.0 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.22 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -62.85 3.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.704 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.49 -178.76 6.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.461 . . . . 0.0 110.504 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.501 -0.761 . . . . 0.0 109.793 176.57 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.925 -0.47 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 59.21 59.2 2.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.339 0.59 . . . . 0.0 110.285 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.08 130.08 6.35 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.741 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' SER . . . . . 0.571 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 66.8 m -84.81 3.39 37.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.815 -0.227 . . . . 0.0 111.206 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.2 m -59.66 -64.44 0.94 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.068 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -68.74 -35.63 77.35 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.571 ' HB3' ' HA ' ' B' ' 3' ' ' SER . 57.6 tp -60.63 -62.07 2.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.588 -175.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.76 -41.92 95.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 123.359 0.412 . . . . 0.0 110.447 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -57.81 8.16 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 123.937 0.773 . . . . 0.0 111.02 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.77 -41.12 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -52.94 -47.66 67.89 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.253 0.621 . . . . 0.0 110.912 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -68.24 -53.95 21.1 Favored 'General case' 0 N--CA 1.444 -0.757 0 O-C-N 123.233 0.333 . . . . 0.0 110.741 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -67.73 -38.0 82.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.787 -168.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.457 ' O ' ' HG3' ' B' ' 17' ' ' GLN . 2.8 pp -65.82 -30.04 48.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 CA-C-N 117.98 0.354 . . . . 0.0 110.638 -175.473 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -65.79 -42.4 90.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -63.22 -41.76 99.16 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.025 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.98 -37.26 86.42 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.566 0.541 . . . . 0.0 110.847 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.457 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 95.2 mt-30 -59.84 -52.36 65.76 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.23 -42.64 99.49 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -54.76 -45.92 74.29 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.642 0.589 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.37 -53.18 59.92 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 123.454 0.471 . . . . 0.0 110.506 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.48 -36.44 83.76 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 123.292 0.37 . . . . 0.0 110.21 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -42.46 78.87 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.429 0.455 . . . . 0.0 109.924 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.6 -45.63 64.94 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.67 -48.39 77.72 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 123.79 0.681 . . . . 0.0 110.117 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -58.07 -50.32 73.88 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.294 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -49.79 70.53 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.44 0.463 . . . . 0.0 111.229 -176.146 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.86 -38.26 75.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.407 ' O ' ' HG3' ' B' ' 31' ' ' LYS . . . -63.81 -49.74 71.7 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 123.305 0.378 . . . . 0.0 110.013 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -60.99 -47.58 85.8 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.546 0.529 . . . . 0.0 109.735 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.504 ' HB3' HD23 ' A' ' 30' ' ' LEU . 9.1 mp -63.9 -45.81 87.66 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.54 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.57 ' HA ' HG12 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -66.35 -32.51 73.94 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.951 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 5.9 tmtm? -70.34 -29.19 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 0.0 110.173 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -77.1 -44.64 29.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . 0.57 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.8 p -69.18 -19.88 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.082 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.46 76.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.104 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -89.63 111.87 22.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.006 -176.091 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -102.19 158.69 16.0 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 122.66 -0.318 . . . . 0.0 110.369 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.92 56.05 4.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.063 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -72.03 -16.74 62.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.809 0.338 . . . . 0.0 110.966 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -56.61 -40.26 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.261 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -63.34 -43.32 98.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.873 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.69 -45.74 74.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.912 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -63.08 -39.54 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.526 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.56 77.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.897 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.464 ' O ' HG12 ' A' ' 13' ' ' ILE . 85.5 t -61.47 -50.25 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.237 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -54.43 -45.39 73.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -58.68 -49.36 77.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.973 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.73 ' HE3' ' HA ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.84 -41.9 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -175.463 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.479 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.6 pt -68.84 -34.55 65.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.657 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -63.19 -48.61 77.63 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' SER . . . . . 0.51 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 24.4 t -53.44 -47.78 69.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.816 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.5 mt -62.7 -51.82 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.246 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.479 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 44.3 mt-30 -67.1 -41.99 85.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.418 -175.588 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -68.04 -34.39 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . 0.486 HE21 ' HG ' ' A' ' 23' ' ' LEU . 25.6 tp60 -65.74 -45.79 81.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.687 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -62.04 -35.53 78.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.651 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.68 -50.64 71.67 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.095 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -62.86 -48.36 79.36 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.804 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.486 ' HG ' HE21 ' A' ' 19' ' ' GLN . 86.5 mt -60.43 -34.72 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.417 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.38 -47.54 78.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.24 -38.66 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.467 0.651 . . . . 0.0 110.139 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.45 -51.99 65.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.772 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.55 -28.55 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.4 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . 0.659 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -60.32 -44.43 95.47 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.11 0.481 . . . . 0.0 110.185 175.459 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -63.57 -42.61 98.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.548 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.94 -46.71 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.855 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.659 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 65.7 pttt -68.67 -29.29 67.72 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.43 -26.78 46.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 0.0 109.875 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.7 tp -71.63 -50.73 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.739 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.46 -33.64 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.87 -74.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.077 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.874 ' HG3' ' H ' ' A' ' 37' ' ' ARG . 7.0 tp10 55.97 -150.24 0.43 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . 0.874 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 8.6 ttm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.135 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -66.74 95.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.5 -30.29 4.56 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.219 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -79.88 95.67 6.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.362 0.601 . . . . 0.0 111.429 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 33.7 t -86.96 -75.16 0.41 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.583 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -71.8 -36.61 70.33 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.919 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -52.58 -57.26 10.56 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.769 0.668 . . . . 0.0 109.772 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.99 -54.35 39.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.583 0.552 . . . . 0.0 110.371 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.73 11.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 123.779 0.675 . . . . 0.0 111.753 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.41 -54.46 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 123.238 0.337 . . . . 0.0 111.06 -172.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -60.34 -42.07 94.91 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.414 0.446 . . . . 0.0 110.547 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . 0.407 HH11 ' HD3' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -62.43 -50.96 69.43 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -62.73 -49.09 76.43 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 pt -64.17 -35.28 73.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.528 -175.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -64.84 -50.07 68.09 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -50.79 -46.08 59.45 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.964 0.79 . . . . 0.0 110.506 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.13 -55.91 27.26 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.791 0.682 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.96 -45.28 67.74 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.389 0.431 . . . . 0.0 110.81 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.23 -46.06 88.7 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.373 0.421 . . . . 0.0 110.309 -174.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -71.05 -26.99 63.32 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -54.25 48.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.44 -38.19 77.72 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -57.66 -47.72 81.48 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 123.411 0.444 . . . . 0.0 109.825 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.98 -33.54 70.79 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.594 0.559 . . . . 0.0 110.806 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.677 ' HA ' HG13 ' B' ' 27' ' ' VAL . 43.8 mt-10 -67.7 -23.82 65.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.57 -41.48 75.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -73.26 -59.1 2.87 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 123.44 0.463 . . . . 0.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.677 HG13 ' HA ' ' B' ' 24' ' ' GLU . 14.0 p -56.86 -36.79 50.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 123.535 0.522 . . . . 0.0 111.631 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.35 -48.9 68.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 123.404 0.44 . . . . 0.0 110.701 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -79.98 -39.92 29.08 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.49 -60.3 3.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 123.872 0.732 . . . . 0.0 110.699 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.8 71.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 123.082 0.239 . . . . 0.0 110.479 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.13 -31.82 44.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.418 -174.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.25 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.585 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.97 -27.34 27.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.012 0.434 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.72 -75.82 1.24 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . 0.401 ' HB3' ' H ' ' B' ' 37' ' ' ARG . 6.9 tp10 52.07 -98.41 0.07 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.533 0.733 . . . . 0.0 110.679 -175.357 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.401 ' H ' ' HB3' ' B' ' 36' ' ' GLU . 13.1 ttt85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.784 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -107.12 98.84 8.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.124 0.488 . . . . 0.0 109.834 175.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.62 30.6 1.82 Allowed Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -81.73 60.94 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.364 0.602 . . . . 0.0 110.356 -179.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -87.22 -73.34 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -71.91 -33.62 68.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.98 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.79 -50.31 73.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.586 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . 0.493 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 5.8 tp10 -66.06 -38.72 89.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.222 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.475 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -58.16 -55.4 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.974 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.99 -45.64 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.493 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 67.4 ttt180 -53.52 -52.0 61.04 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.83 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -62.98 -43.05 99.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.766 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.475 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 59.0 mtpt -58.16 -61.06 2.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.43 HD11 ' N ' ' A' ' 14' ' ' ARG . 2.8 pp -67.89 -33.1 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -172.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.43 ' N ' HD11 ' A' ' 13' ' ' ILE . 6.6 tpt180 -75.74 -37.19 59.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.853 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 p -68.96 -39.09 79.69 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 92.7 mt -62.34 -45.77 91.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.276 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.24 -47.67 80.78 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.03 -54.28 47.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -55.56 -48.23 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.339 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -49.22 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -69.6 -42.91 73.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.319 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.13 -36.82 75.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.94 -41.1 95.6 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.1 -43.14 99.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.71 -44.77 73.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.605 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.53 -36.02 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.6 -39.06 81.06 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 121.012 0.434 . . . . 0.0 110.136 174.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.56 -45.43 91.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.343 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.55 -47.69 82.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.836 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.747 ' HA ' HG13 ' A' ' 34' ' ' VAL . 56.4 pttt -74.66 -19.09 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.927 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.29 -46.47 67.12 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.196 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.747 HG13 ' HA ' ' A' ' 31' ' ' LYS . 8.6 p -80.12 -20.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.045 0.45 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.49 -43.41 37.34 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.834 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.54 113.51 9.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.943 0.401 . . . . 0.0 110.062 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.692 -0.67 . . . . 0.0 109.545 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -84.69 94.73 8.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.053 0.454 . . . . 0.0 110.166 177.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . 0.51 ' HA2' ' HB3' ' B' ' 6' ' ' LEU . . . -120.31 66.33 0.43 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.429 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.6 p -127.07 -77.35 0.58 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.804 0.335 . . . . 0.0 111.412 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -85.32 -44.45 12.82 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.78 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.2 -75.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.256 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . 0.51 ' HB3' ' HA2' ' B' ' 2' ' ' GLY . 59.2 tp -47.59 -67.37 0.28 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.079 0.862 . . . . 0.0 112.874 -170.192 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.17 -37.91 87.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.336 0.397 . . . . 0.0 111.295 -169.214 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -55.93 28.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 123.509 0.506 . . . . 0.0 110.41 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.14 -38.83 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 O-C-N 123.454 0.471 . . . . 0.0 110.204 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . 0.402 ' O ' HG13 ' B' ' 13' ' ' ILE . 33.6 ttp180 -52.83 -50.25 64.08 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.834 0.709 . . . . 0.0 111.902 -174.621 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -71.61 -35.06 70.35 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 118.018 0.372 . . . . 0.0 110.291 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.27 -41.51 89.76 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.292 0.37 . . . . 0.0 110.671 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.402 HG13 ' O ' ' B' ' 10' ' ' ARG . 2.8 pp -70.7 -25.9 27.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -72.41 -34.06 67.59 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -55.43 -45.17 76.81 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.21 -44.18 97.17 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.134 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . 0.878 ' HA ' HE21 ' B' ' 17' ' ' GLN . 0.0 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.129 0.268 . . . . 0.0 110.448 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.18 -47.88 80.12 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.549 0.531 . . . . 0.0 109.78 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -55.23 -58.96 5.56 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.935 0.772 . . . . 0.0 110.294 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -54.16 -43.01 70.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.681 0.613 . . . . 0.0 110.88 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.99 -59.38 5.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.645 0.59 . . . . 0.0 110.677 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . 0.599 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 17.4 m-70 -67.35 -36.05 80.61 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 123.355 0.409 . . . . 0.0 111.044 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . 0.409 ' O ' HG11 ' B' ' 27' ' ' VAL . 4.6 tt -48.85 -54.6 14.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.874 0.734 . . . . 0.0 109.849 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.36 -57.49 10.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.449 0.468 . . . . 0.0 111.826 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . 0.599 ' OD1' ' HA ' ' B' ' 22' ' ' HIS . 2.3 p-10 -64.21 -38.57 91.52 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 117.853 0.297 . . . . 0.0 110.439 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . 0.582 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.1 tp10 -66.8 -51.22 58.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.409 HG11 ' O ' ' B' ' 23' ' ' LEU . 9.2 p -67.02 -35.63 75.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.971 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -59.1 -51.5 69.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.434 0.459 . . . . 0.0 109.841 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 36.6 ttt-85 -59.35 -53.78 54.33 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 123.755 0.659 . . . . 0.0 110.249 179.851 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.03 -56.45 16.01 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 123.88 0.737 . . . . 0.0 111.696 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.971 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 54.9 pttt -62.08 -39.25 91.81 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 123.411 0.444 . . . . 0.0 110.96 -173.271 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . 0.542 ' C ' ' HD3' ' B' ' 32' ' ' LYS . 13.5 tmtt? -74.99 -42.74 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.463 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.64 -44.7 96.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.886 -173.372 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.78 -35.26 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 111.527 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.26 -32.2 17.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 -176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 58.65 43.85 18.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.334 0.587 . . . . 0.0 110.448 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . 0.415 HH11 ' HD3' ' B' ' 37' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.523 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -130.23 -179.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.591 0.234 . . . . 0.0 110.779 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.67 65.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.877 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -64.27 -55.8 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.589 0.233 . . . . 0.0 111.161 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -66.18 -35.62 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.674 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -61.88 -50.3 72.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.9 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.675 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.17 -33.86 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.88 -45.28 93.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 109.91 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' VAL . . . . . 0.471 ' O ' HG12 ' A' ' 13' ' ' ILE . 60.4 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.357 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -52.57 -52.34 55.54 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.384 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 11' ' ' ARG . 19.1 ttm-85 -62.78 -41.62 99.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 110.414 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 18.8 tptm -62.57 -55.1 30.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.108 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ILE . . . . . 0.475 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 38.5 pt -65.48 -38.0 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.337 -177.046 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -63.27 -47.86 80.59 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -59.57 -46.4 89.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.118 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 88.9 mt -62.25 -46.1 90.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.658 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.475 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 79.4 mt-30 -59.51 -44.27 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.023 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.57 -39.11 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.05 -47.51 84.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.276 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -59.16 -42.38 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.74 -46.65 88.49 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.968 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -60.67 -52.29 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.766 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.78 -45.16 86.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.15 -50.01 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.132 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASN . . . . . 0.572 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 39.2 m-80 -71.22 -37.12 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.023 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -66.86 -44.36 81.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.63 -30.89 48.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.93 99.86 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.39 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.572 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mpt_? -65.28 -42.59 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 176.585 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.98 -47.3 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.736 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' HA ' HG12 ' A' ' 34' ' ' VAL . 55.5 pttt -63.99 -32.87 74.56 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.45 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.52 -43.92 88.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.08 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.02 -46.71 73.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.175 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.519 HG12 ' HA ' ' A' ' 31' ' ' LYS . 13.5 p -73.2 -35.69 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.576 0.226 . . . . 0.0 111.521 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.19 -43.54 25.64 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.357 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 61.89 -174.92 0.14 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.483 0.659 . . . . 0.0 111.802 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.909 175.553 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -81.84 139.96 34.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.808 0.337 . . . . 0.0 111.001 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.24 158.1 9.98 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.157 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -74.6 -18.17 60.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.351 . . . . 0.0 111.444 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -70.46 -63.28 1.12 Allowed 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -58.39 -46.55 86.17 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.528 0.518 . . . . 0.0 110.721 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -50.03 -58.68 4.98 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 123.808 0.693 . . . . 0.0 111.015 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.3 -48.14 65.72 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 123.37 0.419 . . . . 0.0 110.538 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.0 62.21 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.672 0.607 . . . . 0.0 111.237 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.62 -54.71 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 O-C-N 123.357 0.411 . . . . 0.0 110.418 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -53.12 -47.55 68.56 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.449 0.468 . . . . 0.0 110.728 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -56.1 -42.33 76.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.745 0.653 . . . . 0.0 111.019 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -79.82 -48.22 13.9 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.498 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ILE . . . . . 0.407 HD12 ' N ' ' B' ' 14' ' ' ARG . 2.9 pp -66.75 -29.97 48.14 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 CA-C-O 119.62 -0.229 . . . . 0.0 111.27 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' ARG . . . . . 0.407 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.0 ptm180 -69.96 -28.99 66.01 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 46.9 t -71.95 -38.67 69.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.9 -45.21 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.51 -41.74 86.1 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.315 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.59 -53.19 60.89 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -56.58 -47.86 78.61 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 123.649 0.593 . . . . 0.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -55.3 34.55 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.478 0.487 . . . . 0.0 110.616 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.02 -50.97 71.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 123.852 0.72 . . . . 0.0 110.397 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.2 -50.32 73.95 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 123.806 0.691 . . . . 0.0 110.353 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.02 -53.92 52.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 123.455 0.472 . . . . 0.0 110.653 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' GLU . . . . . 0.495 ' HA ' HG11 ' B' ' 27' ' ' VAL . 37.1 tt0 -61.7 -43.78 98.2 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 123.513 0.508 . . . . 0.0 110.489 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.42 -49.73 76.42 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.575 0.547 . . . . 0.0 110.287 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -41.37 72.92 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.495 HG11 ' HA ' ' B' ' 24' ' ' GLU . 9.9 p -66.89 -32.7 59.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' ALA . . . . . 0.654 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -45.37 91.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.672 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -57.42 -48.25 79.62 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.364 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LEU . . . . . 0.463 HD22 HG13 ' A' ' 34' ' ' VAL . 57.8 tp -61.51 -51.39 68.82 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.116 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.654 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 62.1 pttt -64.55 -33.38 75.77 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 123.277 0.361 . . . . 0.0 110.14 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.97 -42.0 70.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.671 0.272 . . . . 0.0 110.358 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.84 -50.69 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.634 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.78 -26.77 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.376 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.53 -29.83 72.99 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.26 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -91.77 124.76 36.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 111.205 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.726 174.307 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.878 0.37 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -63.84 -38.94 92.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.162 0.506 . . . . 0.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -68.06 -44.59 76.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.614 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.21 -41.2 86.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.323 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -58.72 -47.63 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.078 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.69 -51.92 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -60.25 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.459 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -67.15 -32.14 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.669 0.271 . . . . 0.0 110.685 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.41 -51.93 51.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 2.8 pp -72.04 -28.02 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.571 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -66.93 -35.07 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.618 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.76 -46.13 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.08 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 78.1 mt-30 -62.01 -38.42 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.65 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.69 -47.63 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.65 -40.59 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.462 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -55.85 -58.37 8.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.491 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -69.12 -35.38 76.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.65 -50.97 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.537 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.06 -39.94 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.15 -53.19 59.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.593 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -72.02 -31.8 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.45 -51.91 65.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.4 p -71.83 -27.57 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -61.32 -50.7 71.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.251 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.78 -34.42 78.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.313 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 31' ' ' LYS . 3.7 tt -59.57 -59.01 6.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.416 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 61.5 pttt -71.39 -19.45 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.331 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptt -71.4 -41.31 69.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.4 tp -67.44 -52.12 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.602 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' B' ' 34' ' ' VAL . 14.7 p -82.46 -26.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.603 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.21 -61.86 3.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.657 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -177.857 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.211 -0.971 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -85.03 -49.68 8.1 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.101 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -52.08 -74.93 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 O-C-N 123.999 0.812 . . . . 0.0 112.717 -171.623 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.4 -47.06 85.8 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.311 0.382 . . . . 0.0 111.166 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.94 -55.03 10.89 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 123.756 0.66 . . . . 0.0 111.594 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.84 -46.29 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 123.203 0.314 . . . . 0.0 110.246 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.442 ' HD3' ' C ' ' B' ' 10' ' ' ARG . 2.7 tmt_? -57.68 -47.92 80.96 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.539 0.524 . . . . 0.0 110.762 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -53.72 -47.88 70.13 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.222 0.326 . . . . 0.0 110.384 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 51.1 mtpt -63.0 -56.64 15.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.416 0.447 . . . . 0.0 110.745 -176.273 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.53 -27.43 42.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 O-C-N 123.094 0.246 . . . . 0.0 110.632 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 14' ' ' ARG . 1.2 tmm_? -63.27 -55.03 28.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.8 m -64.98 -39.1 92.97 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 -175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 12' ' ' LYS . 94.6 mt -55.04 -47.98 74.05 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 123.397 0.435 . . . . 0.0 110.142 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -60.65 -51.81 67.82 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.556 0.535 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.83 -49.28 75.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.779 0.675 . . . . 0.0 110.447 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.1 tp60 -55.15 -58.66 6.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.642 0.589 . . . . 0.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -70.97 -25.31 62.66 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.828 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.89 -51.69 68.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -61.87 -40.86 96.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.009 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 27' ' ' VAL . 94.7 mt -59.68 -49.41 77.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.523 0.515 . . . . 0.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.58 -44.68 93.26 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.46 0.475 . . . . 0.0 110.05 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -59.44 -42.24 91.47 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.497 0.498 . . . . 0.0 109.837 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.18 -52.93 63.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 23' ' ' LEU . 97.0 t -52.97 -46.51 53.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 123.747 0.654 . . . . 0.0 110.69 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.38 -58.16 6.32 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 123.662 0.601 . . . . 0.0 111.574 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' B' ' 29' ' ' ARG . 13.1 mmt180 -66.38 -38.73 88.19 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.743 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.53 -49.66 75.79 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.302 0.376 . . . . 0.0 111.037 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.411 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -67.17 -30.62 70.64 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -176.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -70.72 -38.15 73.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.298 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.39 -43.13 95.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 12.3 p -77.41 -29.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.719 0.295 . . . . 0.0 111.084 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.608 177.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.802 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.0 m -60.15 -48.14 82.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.274 176.443 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.72 -46.12 90.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.807 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.01 -48.35 81.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.005 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.63 76.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.599 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' SER . 97.5 t -63.2 -41.75 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.942 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.52 -46.73 88.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.977 0.418 . . . . 0.0 110.084 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.19 -37.0 84.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.152 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 53.8 tptt -63.45 -52.87 59.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.12 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -65.26 -31.38 53.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.853 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -62.5 -51.12 68.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -60.46 -39.72 88.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.674 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.6 mt -57.9 -58.17 9.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.957 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -64.57 -37.41 87.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.954 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.82 -44.95 88.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.722 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.51 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 tp60 -65.17 -39.52 93.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.272 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 6.3 m-20 -64.5 -40.82 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.692 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 47.1 t80 -60.14 -44.21 95.12 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.308 0.575 . . . . 0.0 109.885 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 8.2 t-80 -66.08 -34.65 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.007 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 90.8 mt -69.11 -34.86 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.466 176.368 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 39.9 mt-10 -55.74 -57.35 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.698 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 22' ' ' HIS . 2.9 p-10 -66.81 -30.57 70.79 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.818 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -57.73 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.524 176.016 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 95.0 t -60.44 -41.06 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.701 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -58.28 -44.05 88.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -64.02 -45.15 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.16 -43.2 74.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.012 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 62.6 pttt -72.05 -26.42 62.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.907 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -71.58 -42.67 67.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.83 -45.2 94.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.784 HG11 HD11 ' B' ' 30' ' ' LEU . 8.1 p -79.15 -22.35 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 110.684 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.24 37.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.517 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 175.218 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 5' ' ' SER . . . . . 0.466 ' O ' HG23 ' B' ' 9' ' ' VAL . 11.3 m -62.04 -49.9 74.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.481 0.488 . . . . 0.0 110.382 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.19 -59.76 3.62 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 124.038 0.836 . . . . 0.0 110.961 -175.154 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.09 -42.46 99.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.318 0.386 . . . . 0.0 110.838 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.84 82.26 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.446 0.466 . . . . 0.0 110.947 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 5' ' ' SER . 97.7 t -56.54 -45.38 82.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 123.534 0.522 . . . . 0.0 111.023 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -58.88 -52.07 67.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.487 0.492 . . . . 0.0 110.435 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.52 -32.97 73.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -64.23 -56.59 13.62 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.88 -26.68 30.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 O-C-N 123.047 0.217 . . . . 0.0 110.644 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -56.33 -52.99 62.51 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -56.64 -44.39 81.25 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.961 0.788 . . . . 0.0 110.294 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.1 -50.98 69.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 123.231 0.332 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.48 -55.25 33.92 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.395 0.435 . . . . 0.0 111.112 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.27 -32.47 74.14 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.383 0.427 . . . . 0.0 110.881 -172.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -53.57 -38.79 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.507 0.505 . . . . 0.0 110.668 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.48 -57.77 8.13 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.884 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -56.45 -42.0 77.42 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 123.684 0.615 . . . . 0.0 111.152 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -55.36 -49.04 73.31 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.602 0.564 . . . . 0.0 110.053 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.56 -51.76 39.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.546 0.529 . . . . 0.0 110.106 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.13 -48.68 67.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 123.818 0.699 . . . . 0.0 111.225 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 22.7 m-80 -64.2 -50.29 68.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.299 0.374 . . . . 0.0 110.678 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -68.22 -43.09 78.74 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.302 0.376 . . . . 0.0 110.821 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.54 -33.51 63.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.82 99.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 20.4 mmt85 -62.89 -51.51 66.7 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.784 HD11 HG11 ' A' ' 34' ' ' VAL . 53.4 tp -58.94 -49.57 77.32 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.655 0.597 . . . . 0.0 110.062 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -53.72 -50.82 65.1 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 124.073 0.858 . . . . 0.0 110.653 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -71.42 -38.85 71.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.259 0.35 . . . . 0.0 111.769 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.131 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.12 -19.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.164 0.507 . . . . 0.0 110.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.947 -172.959 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.927 0.394 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -64.18 -28.18 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.749 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 9' ' ' VAL . 45.8 m -68.0 -42.33 80.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.357 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.88 -43.48 92.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.949 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.84 97.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 5' ' ' SER . 74.9 t -62.91 -47.4 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -56.46 -45.64 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 110.219 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -51.35 69.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.191 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.0 ttmt -63.74 -49.37 73.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.672 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -62.52 -36.97 77.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.318 -175.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -72.02 -37.05 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -67.13 -37.39 83.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.919 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 81.3 mt -67.57 -38.4 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.44 -44.44 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 15.6 tp10 -57.27 -54.76 43.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.843 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -57.37 -42.52 82.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.371 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 6.5 m-20 -69.22 -55.71 9.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.217 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.82 -44.27 81.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.506 0.669 . . . . 0.0 110.334 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.7 t60 -61.1 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.274 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD11 HG21 ' B' ' 27' ' ' VAL . 35.7 tp -74.44 -37.42 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.35 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 48.1 mt-10 -58.21 -48.36 80.6 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.22 -44.0 96.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.03 -57.12 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.306 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 p -61.72 -35.92 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.856 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . -59.83 -48.15 82.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -76.43 -26.65 55.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.166 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.1 -53.18 49.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.832 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HA ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.89 -20.8 62.47 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.473 179.151 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.62 -43.32 89.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.018 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.1 -52.47 12.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.541 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 31' ' ' LYS . 11.8 p -73.43 -29.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.39 -41.36 7.43 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.522 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 0.0 111.258 -178.808 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.21 -0.997 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -81.82 -58.69 2.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.069 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 tp -56.2 -53.77 53.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.94 0.496 . . . . 0.0 111.529 -170.774 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.6 -32.19 71.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 123.072 0.233 . . . . 0.0 110.543 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.56 33.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.517 ' O ' HG12 ' B' ' 13' ' ' ILE . 89.6 t -57.91 -47.98 85.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 123.657 0.598 . . . . 0.0 109.865 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -48.98 -55.39 12.04 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.955 0.784 . . . . 0.0 110.178 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.5 -46.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.473 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.38 -58.55 4.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.214 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 9' ' ' VAL . 37.2 pt -61.66 -35.54 67.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 O-C-N 122.992 0.183 . . . . 0.0 111.032 -172.674 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.28 -47.02 86.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -62.1 -42.8 99.59 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 123.558 0.536 . . . . 0.0 110.143 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 98.3 mt -57.05 -48.24 79.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 123.568 0.542 . . . . 0.0 110.461 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.25 -47.44 84.38 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.522 0.514 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.4 56.5 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.86 0.725 . . . . 0.0 109.866 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.33 -46.52 89.63 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 10.4 m-80 -56.57 -47.37 79.66 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.326 0.391 . . . . 0.0 110.811 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.07 -41.13 96.05 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -62.24 -51.09 69.15 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.917 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.8 -52.9 54.97 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.828 0.705 . . . . 0.0 111.171 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 46.3 mt-10 -51.12 -52.35 44.61 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.92 0.762 . . . . 0.0 111.239 -175.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -71.62 -33.47 68.99 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.397 0.436 . . . . 0.0 110.75 -173.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.83 -50.5 20.1 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 23' ' ' LEU . 9.9 p -64.8 -25.82 38.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.18 93.61 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.68 -43.89 69.27 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.699 0.624 . . . . 0.0 110.628 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 27' ' ' VAL . 8.3 mp -58.95 -61.45 2.62 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 123.517 0.511 . . . . 0.0 110.487 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.617 ' HA ' HG12 ' B' ' 34' ' ' VAL . 52.7 pttt -69.53 -25.04 63.83 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.627 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.53 -44.5 62.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.845 0.355 . . . . 0.0 110.477 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -69.49 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' B' ' 31' ' ' LYS . 9.0 p -82.12 -19.5 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.588 177.059 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.147 0.499 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -68.27 -29.27 68.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -62.01 -47.57 84.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.385 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.47 -46.37 90.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.71 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.14 -50.11 72.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.755 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.64 88.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.17 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 5' ' ' SER . 78.4 t -64.83 -53.84 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 111.048 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HD2' HH11 ' A' ' 10' ' ' ARG . 0.4 OUTLIER -64.42 -37.57 88.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.422 0.629 . . . . 0.0 109.807 -178.355 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -61.14 -49.15 78.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.704 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.788 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -64.13 -48.48 75.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.166 -177.248 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -62.32 -39.47 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.023 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.52 -45.19 94.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 110.41 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -61.28 -47.03 87.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.501 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.725 HD13 HD13 ' B' ' 16' ' ' LEU . 95.8 mt -63.87 -47.74 79.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -54.96 -53.64 53.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.88 -43.97 97.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.311 0.382 . . . . 0.0 110.849 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.551 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 tp-100 -62.36 -43.63 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -63.95 -44.97 91.2 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 0.0 109.782 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.07 -41.96 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.495 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 85.8 mt -57.11 -53.72 54.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.865 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HA ' HG12 ' A' ' 27' ' ' VAL . 7.7 mm-40 -62.9 -40.59 98.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.778 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 22.0 m-80 -64.92 -44.67 88.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 110.609 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.31 -40.38 70.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.027 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 7.8 p -68.57 -30.69 48.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -61.63 -43.19 99.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 2.8 mpt_? -56.57 -50.12 72.86 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.09 -54.7 44.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.687 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HA ' HG12 ' A' ' 34' ' ' VAL . 62.5 pttt -71.68 -25.11 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.622 -175.09 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 42.8 tptt -80.5 -22.21 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 tp -76.77 -39.13 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.439 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 31' ' ' LYS . 8.9 p -84.48 -35.14 10.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.835 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.33 -48.97 7.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.233 0.211 0 C-N-CA 122.625 0.37 . . . . 0.0 110.815 -179.88 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.6 -35.77 81.62 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.713 0.633 . . . . 0.0 110.271 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.86 -46.4 67.83 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.79 0.681 . . . . 0.0 109.694 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -54.72 -52.62 61.91 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.575 0.547 . . . . 0.0 110.446 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.98 68.89 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.572 0.545 . . . . 0.0 110.385 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' VAL . . . . . 0.425 ' O ' HG12 ' B' ' 13' ' ' ILE . 85.7 t -57.61 -43.73 83.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 123.582 0.551 . . . . 0.0 110.336 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.43 ' HD2' HH11 ' B' ' 10' ' ' ARG . 44.7 ttm180 -50.63 -61.74 2.02 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 123.797 0.686 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -67.49 -34.3 76.85 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' LYS . . . . . 0.799 ' HE3' ' HA ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -57.35 -59.77 4.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.378 0.424 . . . . 0.0 110.396 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.552 ' HA ' HD12 ' B' ' 16' ' ' LEU . 38.2 pt -65.3 -35.04 74.42 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 123.203 0.314 . . . . 0.0 110.661 -174.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -69.56 -40.68 76.63 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m -61.17 -42.26 98.24 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LEU . . . . . 0.725 HD13 HD13 ' A' ' 16' ' ' LEU . 84.1 mt -55.59 -49.6 72.31 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 123.506 0.504 . . . . 0.0 109.763 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 75.4 mt-30 -53.16 -53.32 52.2 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.443 0.464 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -61.29 2.27 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.755 0.659 . . . . 0.0 109.839 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.77 -40.03 75.13 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 123.504 0.502 . . . . 0.0 111.927 -172.719 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.04 -52.37 56.31 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.14 -41.99 93.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -56.29 -59.72 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.0 -31.92 69.84 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 123.332 0.395 . . . . 0.0 110.871 -174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.52 -48.53 81.31 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 30.9 m-80 -68.59 -39.69 80.83 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -52.33 -59.53 4.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 123.818 0.699 . . . . 0.0 110.48 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.94 -36.05 74.02 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.04 83.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.255 0.347 . . . . 0.0 110.582 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 28.6 mmm180 -62.23 -37.43 85.35 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.6 tp -70.31 -46.01 65.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.581 0.551 . . . . 0.0 110.638 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.17 63.95 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -73.0 -27.5 61.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.439 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.73 -43.4 93.5 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.085 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.67 -37.07 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.892 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.718 177.319 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -69.37 -46.09 67.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.459 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -53.82 -50.43 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.034 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.66 -46.21 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.445 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.006 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -54.67 41.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.412 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 13' ' ' ILE . 58.6 t -63.69 -37.56 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.227 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.88 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -67.01 -35.53 80.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.545 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -61.95 -55.21 31.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.733 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.2 pt -66.01 -33.21 62.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.215 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -62.07 -43.33 99.06 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.813 0.34 . . . . 0.0 110.292 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 m -65.66 -40.42 92.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.408 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.78 -43.13 97.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.45 -45.69 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.702 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.62 -45.47 91.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.9 tt0 -58.2 -48.1 81.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.412 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -54.83 -48.12 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.359 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.64 -46.53 84.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.032 0.444 . . . . 0.0 110.514 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 20.1 t-80 -71.31 -32.5 68.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.136 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 72.3 mt -67.95 -40.84 83.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.576 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.24 -46.05 85.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.861 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.59 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 18.2 p30 -75.44 -19.68 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.576 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 4.3 tp10 -66.3 -56.78 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.5 -33.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.226 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.12 99.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.702 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 1.4 mpt_? -58.16 -52.84 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' B' ' 30' ' ' LEU . 11.2 mp -60.89 -45.61 93.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.881 -176.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 34' ' ' VAL . 59.8 pttt -74.64 -23.27 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.246 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -80.82 -27.0 36.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.348 0.594 . . . . 0.0 109.793 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -51.52 12.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.82 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 31' ' ' LYS . 12.2 p -75.52 -27.36 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.07 0.462 . . . . 0.0 110.71 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.28 -22.02 76.77 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.001 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 C--O 1.233 0.199 0 O-C-N 124.054 0.502 . . . . 0.0 110.385 179.538 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -66.63 -23.0 66.11 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 123.643 0.589 . . . . 0.0 109.914 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' LEU . . . . . 0.405 ' HG ' ' NH2' ' B' ' 10' ' ' ARG . 42.7 tp -85.57 -62.2 1.58 Allowed 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -55.66 -63.08 1.29 Allowed 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.845 0.716 . . . . 0.0 111.875 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.73 55.03 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.629 0.58 . . . . 0.0 111.517 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.3 -41.89 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 123.395 0.434 . . . . 0.0 110.393 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.405 ' NH2' ' HG ' ' B' ' 6' ' ' LEU . 32.3 ttm180 -57.02 -50.75 71.78 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -57.54 -40.99 80.05 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 123.482 0.489 . . . . 0.0 110.283 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -66.82 -52.48 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.732 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.91 -30.31 49.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.66 -45.82 92.66 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -57.85 -39.04 76.79 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 123.543 0.527 . . . . 0.0 109.842 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.22 -49.22 76.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.421 0.451 . . . . 0.0 109.929 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' B' ' 20' ' ' ASN . 76.7 mt-30 -59.73 -49.11 79.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.301 0.376 . . . . 0.0 111.191 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 -28.0 65.78 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.12 -35.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 20' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 7.5 m-20 -52.45 -68.6 0.16 Allowed 'General case' 0 CA--C 1.515 -0.385 0 O-C-N 124.167 0.917 . . . . 0.0 110.718 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -54.22 -38.54 65.8 Favored 'General case' 0 C--O 1.212 -0.899 0 O-C-N 123.868 0.73 . . . . 0.0 110.721 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -60.98 -54.53 43.84 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.689 0.618 . . . . 0.0 109.84 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.76 -38.83 92.32 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.492 -175.823 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.25 -38.1 82.42 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.96 -45.49 81.57 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 123.628 0.58 . . . . 0.0 109.765 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -44.48 42.73 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 123.943 0.777 . . . . 0.0 110.827 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -55.62 -57.87 6.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.36 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.823 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -43.03 99.01 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 123.289 0.368 . . . . 0.0 110.29 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -50.53 -42.98 55.8 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 124.349 1.031 . . . . 0.0 110.247 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 30' ' ' LEU . 6.7 tt -85.33 -51.44 6.57 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.705 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 64.1 pttt -57.72 -40.46 79.65 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.201 0.313 . . . . 0.0 111.54 -170.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.61 -33.44 72.77 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.949 0.405 . . . . 0.0 110.85 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.6 tm? -82.63 -42.7 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.229 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.2 p -68.73 -24.02 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.566 175.383 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 t -54.11 -54.07 44.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.782 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -57.55 -52.21 66.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.14 -47.33 85.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.23 -40.5 90.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' LYS . . . -62.13 -51.26 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.449 -177.687 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.51 -33.4 56.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.718 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -62.33 -57.89 9.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.132 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -67.41 -24.43 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.542 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 tppt? -59.63 -59.71 5.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.85 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.79 -29.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.06 -50.31 73.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.753 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.56 -41.62 92.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 94.1 mt -62.32 -49.32 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.564 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.27 -45.56 87.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.501 0.191 . . . . 0.0 110.982 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -59.27 -50.3 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.86 -44.33 97.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -59.53 -51.61 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.316 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.47 -39.05 88.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.694 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.02 -48.91 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -51.96 60.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.889 0.376 . . . . 0.0 110.522 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.66 -38.82 87.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.491 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.28 -45.52 80.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 111.261 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.32 -38.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.361 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -42.14 99.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.831 176.092 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.19 -51.26 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.534 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.68 -31.17 71.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 -177.74 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 20.7 tptm -71.33 -42.01 69.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.41 -46.38 90.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.071 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 31' ' ' LYS . 14.5 p -70.03 -27.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 0.0 110.672 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.85 -19.49 78.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.262 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -176.506 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -33.64 76.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.474 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.93 -63.94 1.04 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.58 0.55 . . . . 0.0 110.595 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.04 -41.3 78.4 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.555 0.534 . . . . 0.0 110.753 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.98 10.05 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.528 0.518 . . . . 0.0 110.464 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.44 -41.49 88.78 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 123.288 0.367 . . . . 0.0 110.374 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -58.64 -49.63 76.81 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.335 0.397 . . . . 0.0 109.95 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.95 -40.03 95.5 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -62.53 -52.03 65.04 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.761 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.39 -27.88 38.4 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -62.98 -49.13 75.91 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -54.54 -40.07 68.3 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.842 0.714 . . . . 0.0 110.459 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.5 -60.55 3.49 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 123.522 0.514 . . . . 0.0 110.416 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -63.55 -37.46 87.42 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.555 0.534 . . . . 0.0 109.824 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -55.54 -52.19 64.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 123.937 0.773 . . . . 0.0 110.212 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.05 -37.89 66.69 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.931 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.75 -51.93 65.67 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.492 0.495 . . . . 0.0 111.056 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.19 -45.34 83.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -61.69 -51.45 68.35 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.329 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.48 -52.46 64.64 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.687 0.617 . . . . 0.0 110.631 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.55 -42.62 71.16 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.569 0.543 . . . . 0.0 110.905 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 29.9 m-80 -73.5 -43.85 59.14 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.03 -54.2 49.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.697 0.623 . . . . 0.0 110.757 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 11.7 p -58.66 -38.92 74.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.25 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 1.025 ' HA ' ' HE3' ' B' ' 31' ' ' LYS . . . -59.36 -46.55 88.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.286 0.366 . . . . 0.0 110.308 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 86.7 mtt180 -58.81 -55.05 40.15 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 123.98 0.8 . . . . 0.0 109.814 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.17 -65.93 0.49 Allowed 'General case' 0 C--O 1.222 -0.388 0 O-C-N 123.949 0.781 . . . . 0.0 112.159 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 1.025 ' HE3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -61.77 -30.8 71.04 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.173 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 34.1 ttpt -71.21 -37.82 72.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.598 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.3 tm? -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.465 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.86 -26.0 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 111.209 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.101 178.743 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 m -63.31 -41.89 98.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -66.34 -35.02 79.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.232 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.09 -52.49 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.246 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.6 -33.42 75.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.178 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -53.11 53.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.961 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 13' ' ' ILE . 87.7 t -66.44 -40.92 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HD3' ' C ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -59.15 -49.98 75.78 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -178.254 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -60.08 -45.72 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.149 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.98 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.291 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 36.5 pt -64.94 -35.28 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.564 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -69.42 -37.77 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.352 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 t -63.51 -36.28 83.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.86 -41.85 99.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.665 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 73.6 mt-30 -59.55 -48.78 80.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 176.693 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.136 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -59.64 -40.48 87.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.644 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 1.9 m-20 -57.98 -58.54 7.96 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.523 175.888 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -58.03 -37.55 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -60.66 -50.28 74.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.861 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.24 -45.13 77.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.14 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 46.8 mt-10 -53.53 -55.89 21.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 -178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.26 -40.69 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.205 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.49 -48.34 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.437 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.54 -30.93 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.92 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -64.28 -43.18 95.61 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -66.97 -39.55 87.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' B' ' 31' ' ' LYS . 4.8 tt -66.0 -51.67 56.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.444 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.92 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 63.4 pttt -63.87 -34.39 77.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.008 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -69.08 -33.51 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.21 -40.21 38.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.511 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 31' ' ' LYS . 14.8 p -70.79 -30.0 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.22 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -62.85 3.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.704 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.461 . . . . 0.0 110.504 178.979 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -68.74 -35.63 77.35 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.63 -62.07 2.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.588 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.76 -41.92 95.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 123.359 0.412 . . . . 0.0 110.447 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -57.81 8.16 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 123.937 0.773 . . . . 0.0 111.02 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.77 -41.12 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -52.94 -47.66 67.89 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.253 0.621 . . . . 0.0 110.912 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -68.24 -53.95 21.1 Favored 'General case' 0 N--CA 1.444 -0.757 0 O-C-N 123.233 0.333 . . . . 0.0 110.741 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -67.73 -38.0 82.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.787 -168.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 17' ' ' GLN . 2.8 pp -65.82 -30.04 48.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 CA-C-N 117.98 0.354 . . . . 0.0 110.638 -175.473 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -65.79 -42.4 90.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -63.22 -41.76 99.16 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.025 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.98 -37.26 86.42 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.566 0.541 . . . . 0.0 110.847 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 95.2 mt-30 -59.84 -52.36 65.76 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.23 -42.64 99.49 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -54.76 -45.92 74.29 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.642 0.589 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.37 -53.18 59.92 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 123.454 0.471 . . . . 0.0 110.506 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.48 -36.44 83.76 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 123.292 0.37 . . . . 0.0 110.21 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -42.46 78.87 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.429 0.455 . . . . 0.0 109.924 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.6 -45.63 64.94 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.67 -48.39 77.72 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 123.79 0.681 . . . . 0.0 110.117 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -58.07 -50.32 73.88 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.294 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -49.79 70.53 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.44 0.463 . . . . 0.0 111.229 -176.146 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.86 -38.26 75.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 31' ' ' LYS . . . -63.81 -49.74 71.7 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 123.305 0.378 . . . . 0.0 110.013 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -60.99 -47.58 85.8 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.546 0.529 . . . . 0.0 109.735 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.525 ' HB3' HD22 ' A' ' 30' ' ' LEU . 9.1 mp -63.9 -45.81 87.66 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.54 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.577 ' HA ' HG12 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -66.35 -32.51 73.94 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.951 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 5.9 tmtm? -70.34 -29.19 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 0.0 110.173 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -77.1 -44.64 29.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.8 p -69.18 -19.88 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.082 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.104 176.529 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -56.61 -40.26 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.261 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -63.34 -43.32 98.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.873 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.69 -45.74 74.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.912 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -63.08 -39.54 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.526 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.56 77.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.897 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 13' ' ' ILE . 85.5 t -61.47 -50.25 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.237 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -54.43 -45.39 73.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -58.68 -49.36 77.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.973 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.737 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.84 -41.9 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -175.463 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.6 pt -68.84 -34.55 65.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.657 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -63.19 -48.61 77.63 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' SER . . . . . 0.53 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 24.4 t -53.44 -47.78 69.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.816 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.5 mt -62.7 -51.82 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.246 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 44.3 mt-30 -67.1 -41.99 85.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.418 -175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -68.04 -34.39 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -65.74 -45.79 81.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -62.04 -35.53 78.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.651 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.68 -50.64 71.67 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.095 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -62.86 -48.36 79.36 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.804 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.43 -34.72 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.417 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.38 -47.54 78.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.24 -38.66 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.467 0.651 . . . . 0.0 110.139 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.45 -51.99 65.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.772 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.55 -28.55 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.4 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -60.32 -44.43 95.47 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.11 0.481 . . . . 0.0 110.185 175.459 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -63.57 -42.61 98.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.548 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.94 -46.71 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.855 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 65.7 pttt -68.67 -29.29 67.72 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.43 -26.78 46.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 0.0 109.875 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.7 tp -71.63 -50.73 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.739 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.46 -33.64 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.87 -74.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.077 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -71.8 -36.61 70.33 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.919 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -52.58 -57.26 10.56 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.769 0.668 . . . . 0.0 109.772 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.99 -54.35 39.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.583 0.552 . . . . 0.0 110.371 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.73 11.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 123.779 0.675 . . . . 0.0 111.753 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.41 -54.46 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 123.238 0.337 . . . . 0.0 111.06 -172.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -60.34 -42.07 94.91 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.414 0.446 . . . . 0.0 110.547 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -62.43 -50.96 69.43 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -62.73 -49.09 76.43 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 pt -64.17 -35.28 73.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.528 -175.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -64.84 -50.07 68.09 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -50.79 -46.08 59.45 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.964 0.79 . . . . 0.0 110.506 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.13 -55.91 27.26 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.791 0.682 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.96 -45.28 67.74 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.389 0.431 . . . . 0.0 110.81 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.23 -46.06 88.7 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.373 0.421 . . . . 0.0 110.309 -174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -71.05 -26.99 63.32 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.89 -54.25 48.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.44 -38.19 77.72 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -57.66 -47.72 81.48 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 123.411 0.444 . . . . 0.0 109.825 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.98 -33.54 70.79 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.594 0.559 . . . . 0.0 110.806 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.679 ' HA ' HG12 ' B' ' 27' ' ' VAL . 43.8 mt-10 -67.7 -23.82 65.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.57 -41.48 75.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -73.26 -59.1 2.87 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 123.44 0.463 . . . . 0.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.679 HG12 ' HA ' ' B' ' 24' ' ' GLU . 14.0 p -56.86 -36.79 50.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 123.535 0.522 . . . . 0.0 111.631 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.35 -48.9 68.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 123.404 0.44 . . . . 0.0 110.701 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -79.98 -39.92 29.08 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.49 -60.3 3.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 123.872 0.732 . . . . 0.0 110.699 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.8 71.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 123.082 0.239 . . . . 0.0 110.479 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.13 -31.82 44.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.418 -174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.25 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.585 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.97 -27.34 27.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.012 0.434 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 179.418 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 13.9 t . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.364 0.602 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -87.22 -73.34 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -71.91 -33.62 68.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.98 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.79 -50.31 73.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.586 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLU . . . . . 0.512 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 5.8 tp10 -66.06 -38.72 89.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.222 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -58.16 -55.4 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.974 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.99 -45.64 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 67.4 ttt180 -53.52 -52.0 61.04 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.83 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -62.98 -43.05 99.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.766 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 59.0 mtpt -58.16 -61.06 2.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 14' ' ' ARG . 2.8 pp -67.89 -33.1 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -172.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 13' ' ' ILE . 6.6 tpt180 -75.74 -37.19 59.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.853 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 p -68.96 -39.09 79.69 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 92.7 mt -62.34 -45.77 91.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.276 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.24 -47.67 80.78 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.03 -54.28 47.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -55.56 -48.23 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.339 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -62.05 -49.22 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -69.6 -42.91 73.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.319 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.13 -36.82 75.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.94 -41.1 95.6 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.1 -43.14 99.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.71 -44.77 73.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.605 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.53 -36.02 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -68.6 -39.06 81.06 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 121.012 0.434 . . . . 0.0 110.136 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.56 -45.43 91.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.343 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.55 -47.69 82.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.836 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HA ' HG12 ' A' ' 34' ' ' VAL . 56.4 pttt -74.66 -19.09 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.927 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.29 -46.47 67.12 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.196 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.761 HG12 ' HA ' ' A' ' 31' ' ' LYS . 8.6 p -80.12 -20.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.045 0.45 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.49 -43.41 37.34 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.834 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 120.943 0.401 . . . . 0.0 110.062 175.987 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 110.78 -0.082 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.2 -75.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.256 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 tp -47.59 -67.37 0.28 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.079 0.862 . . . . 0.0 112.874 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.17 -37.91 87.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.336 0.397 . . . . 0.0 111.295 -169.214 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -55.93 28.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 123.509 0.506 . . . . 0.0 110.41 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.14 -38.83 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 O-C-N 123.454 0.471 . . . . 0.0 110.204 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' ARG . . . . . 0.4 ' O ' HG13 ' B' ' 13' ' ' ILE . 33.6 ttp180 -52.83 -50.25 64.08 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.834 0.709 . . . . 0.0 111.902 -174.621 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -71.61 -35.06 70.35 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 118.018 0.372 . . . . 0.0 110.291 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.27 -41.51 89.76 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.292 0.37 . . . . 0.0 110.671 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 10' ' ' ARG . 2.8 pp -70.7 -25.9 27.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -72.41 -34.06 67.59 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -55.43 -45.17 76.81 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.21 -44.18 97.17 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.134 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -58.3 -46.37 86.23 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.129 0.268 . . . . 0.0 110.448 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.18 -47.88 80.12 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.549 0.531 . . . . 0.0 109.78 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -55.23 -58.96 5.56 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.935 0.772 . . . . 0.0 110.294 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -54.16 -43.01 70.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.681 0.613 . . . . 0.0 110.88 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.99 -59.38 5.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.645 0.59 . . . . 0.0 110.677 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 22' ' ' HIS . . . . . 0.607 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 17.4 m-70 -67.35 -36.05 80.61 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 123.355 0.409 . . . . 0.0 111.044 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' LEU . . . . . 0.412 ' O ' HG12 ' B' ' 27' ' ' VAL . 4.6 tt -48.85 -54.6 14.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.874 0.734 . . . . 0.0 109.849 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.36 -57.49 10.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.449 0.468 . . . . 0.0 111.826 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 25' ' ' ASN . . . . . 0.607 ' OD1' ' HA ' ' B' ' 22' ' ' HIS . 2.3 p-10 -64.21 -38.57 91.52 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 117.853 0.297 . . . . 0.0 110.439 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 26' ' ' GLU . . . . . 0.593 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.1 tp10 -66.8 -51.22 58.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 23' ' ' LEU . 9.2 p -67.02 -35.63 75.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.988 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -59.1 -51.5 69.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.434 0.459 . . . . 0.0 109.841 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' B' ' 29' ' ' ARG . 36.6 ttt-85 -59.35 -53.78 54.33 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 123.755 0.659 . . . . 0.0 110.249 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.03 -56.45 16.01 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 123.88 0.737 . . . . 0.0 111.696 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.988 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 54.9 pttt -62.08 -39.25 91.81 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 123.411 0.444 . . . . 0.0 110.96 -173.271 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 32' ' ' LYS . . . . . 0.544 ' HD3' ' C ' ' B' ' 32' ' ' LYS . 13.5 tmtt? -74.99 -42.74 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.463 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.64 -44.7 96.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.886 -173.372 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.78 -35.26 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 111.527 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 -176.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.589 0.233 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -66.18 -35.62 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.674 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -61.88 -50.3 72.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.9 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.675 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.17 -33.86 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.88 -45.28 93.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 109.91 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 13' ' ' ILE . 60.4 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.357 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -52.57 -52.34 55.54 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.384 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 11' ' ' ARG . 19.1 ttm-85 -62.78 -41.62 99.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 110.414 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 18.8 tptm -62.57 -55.1 30.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.108 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.5 pt -65.48 -38.0 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.337 -177.046 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -63.27 -47.86 80.59 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -59.57 -46.4 89.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.118 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 88.9 mt -62.25 -46.1 90.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.658 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 79.4 mt-30 -59.51 -44.27 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.023 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.57 -39.11 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.05 -47.51 84.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.276 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -59.16 -42.38 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.74 -46.65 88.49 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.968 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -60.67 -52.29 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.766 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.78 -45.16 86.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.15 -50.01 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.132 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASN . . . . . 0.588 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 39.2 m-80 -71.22 -37.12 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.023 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -66.86 -44.36 81.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.63 -30.89 48.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.93 99.86 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.39 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mpt_? -65.28 -42.59 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 176.585 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.98 -47.3 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.736 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 34' ' ' VAL . 55.5 pttt -63.99 -32.87 74.56 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.45 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.52 -43.92 88.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.08 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.02 -46.71 73.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.175 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 31' ' ' LYS . 13.5 p -73.2 -35.69 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.576 0.226 . . . . 0.0 111.521 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.19 -43.54 25.64 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.357 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.483 0.659 . . . . 0.0 111.802 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -58.39 -46.55 86.17 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.528 0.518 . . . . 0.0 110.721 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -50.03 -58.68 4.98 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 123.808 0.693 . . . . 0.0 111.015 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.3 -48.14 65.72 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 123.37 0.419 . . . . 0.0 110.538 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.0 62.21 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.672 0.607 . . . . 0.0 111.237 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.62 -54.71 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 O-C-N 123.357 0.411 . . . . 0.0 110.418 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -53.12 -47.55 68.56 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.449 0.468 . . . . 0.0 110.728 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -56.1 -42.33 76.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.745 0.653 . . . . 0.0 111.019 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -79.82 -48.22 13.9 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.498 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ILE . . . . . 0.414 HD12 ' N ' ' B' ' 14' ' ' ARG . 2.9 pp -66.75 -29.97 48.14 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 CA-C-O 119.62 -0.229 . . . . 0.0 111.27 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 14' ' ' ARG . . . . . 0.414 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.0 ptm180 -69.96 -28.99 66.01 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 46.9 t -71.95 -38.67 69.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.9 -45.21 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.51 -41.74 86.1 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.315 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.59 -53.19 60.89 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -56.58 -47.86 78.61 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 123.649 0.593 . . . . 0.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -56.08 -55.3 34.55 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.478 0.487 . . . . 0.0 110.616 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.02 -50.97 71.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 123.852 0.72 . . . . 0.0 110.397 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.2 -50.32 73.95 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 123.806 0.691 . . . . 0.0 110.353 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.02 -53.92 52.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 123.455 0.472 . . . . 0.0 110.653 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 24' ' ' GLU . . . . . 0.492 ' HA ' HG12 ' B' ' 27' ' ' VAL . 37.1 tt0 -61.7 -43.78 98.2 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 123.513 0.508 . . . . 0.0 110.489 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.42 -49.73 76.42 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.575 0.547 . . . . 0.0 110.287 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -41.37 72.92 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 27' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' B' ' 24' ' ' GLU . 9.9 p -66.89 -32.7 59.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' ALA . . . . . 0.668 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -45.37 91.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.672 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -57.42 -48.25 79.62 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.364 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 34' ' ' VAL . 57.8 tp -61.51 -51.39 68.82 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.116 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.668 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 62.1 pttt -64.55 -33.38 75.77 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 123.277 0.361 . . . . 0.0 110.14 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.97 -42.0 70.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.671 0.272 . . . . 0.0 110.358 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.84 -50.69 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.634 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.78 -26.77 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.376 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.26 -179.268 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -169.53 -52.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.265 0.555 . . . . 0.0 109.957 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.09 162.21 34.99 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -70.17 -46.8 63.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.029 0.415 . . . . 0.0 110.129 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -63.84 -38.94 92.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.162 0.506 . . . . 0.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -68.06 -44.59 76.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.614 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.21 -41.2 86.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.323 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -58.72 -47.63 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.078 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.69 -51.92 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -60.25 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.459 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -67.15 -32.14 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.669 0.271 . . . . 0.0 110.685 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.41 -51.93 51.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 2.8 pp -72.04 -28.02 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.571 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -66.93 -35.07 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.618 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.76 -46.13 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.08 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 78.1 mt-30 -62.01 -38.42 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.65 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.69 -47.63 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.65 -40.59 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.462 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -55.85 -58.37 8.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.491 179.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -69.12 -35.38 76.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.65 -50.97 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.537 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.06 -39.94 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.15 -53.19 59.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.593 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -72.02 -31.8 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.45 -51.91 65.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.4 p -71.83 -27.57 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -61.32 -50.7 71.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.251 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.78 -34.42 78.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.313 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 31' ' ' LYS . 3.7 tt -59.57 -59.01 6.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.416 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 61.5 pttt -71.39 -19.45 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.331 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptt -71.4 -41.31 69.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.518 HD12 ' HD3' ' A' ' 37' ' ' ARG . 66.4 tp -67.44 -52.12 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.602 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' B' ' 34' ' ' VAL . 14.7 p -82.46 -26.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.603 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.21 -61.86 3.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.657 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -145.26 114.57 7.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HD3' HD12 ' A' ' 33' ' ' LEU . 13.5 tpt85 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.456 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.919 -0.472 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 65.31 32.95 9.47 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.059 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.17 -172.76 49.08 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.613 -0.804 . . . . 0.0 112.014 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -64.79 -22.02 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.928 0.394 . . . . 0.0 111.004 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -66.21 -33.33 75.51 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.777 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -85.03 -49.68 8.1 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.101 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -52.08 -74.93 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 O-C-N 123.999 0.812 . . . . 0.0 112.717 -171.623 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.4 -47.06 85.8 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.311 0.382 . . . . 0.0 111.166 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.94 -55.03 10.89 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 123.756 0.66 . . . . 0.0 111.594 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.84 -46.29 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 123.203 0.314 . . . . 0.0 110.246 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.442 ' HD3' ' C ' ' B' ' 10' ' ' ARG . 2.7 tmt_? -57.68 -47.92 80.96 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.539 0.524 . . . . 0.0 110.762 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -53.72 -47.88 70.13 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.222 0.326 . . . . 0.0 110.384 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 51.1 mtpt -63.0 -56.64 15.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.416 0.447 . . . . 0.0 110.745 -176.273 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.53 -27.43 42.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 O-C-N 123.094 0.246 . . . . 0.0 110.632 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 14' ' ' ARG . 1.2 tmm_? -63.27 -55.03 28.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.8 m -64.98 -39.1 92.97 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 -175.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 12' ' ' LYS . 94.6 mt -55.04 -47.98 74.05 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 123.397 0.435 . . . . 0.0 110.142 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -60.65 -51.81 67.82 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.556 0.535 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.83 -49.28 75.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.779 0.675 . . . . 0.0 110.447 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.1 tp60 -55.15 -58.66 6.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.642 0.589 . . . . 0.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -70.97 -25.31 62.66 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.828 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.89 -51.69 68.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -61.87 -40.86 96.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.009 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 27' ' ' VAL . 94.7 mt -59.68 -49.41 77.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.523 0.515 . . . . 0.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.58 -44.68 93.26 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.46 0.475 . . . . 0.0 110.05 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 6.2 m-20 -59.44 -42.24 91.47 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.497 0.498 . . . . 0.0 109.837 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.18 -52.93 63.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 23' ' ' LEU . 97.0 t -52.97 -46.51 53.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 123.747 0.654 . . . . 0.0 110.69 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.38 -58.16 6.32 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 123.662 0.601 . . . . 0.0 111.574 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' B' ' 29' ' ' ARG . 13.1 mmt180 -66.38 -38.73 88.19 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.743 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.53 -49.66 75.79 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.302 0.376 . . . . 0.0 111.037 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.411 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -67.17 -30.62 70.64 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -176.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -70.72 -38.15 73.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.298 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.39 -43.13 95.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 12.3 p -77.41 -29.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.719 0.295 . . . . 0.0 111.084 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.63 -54.09 6.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.608 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -83.47 80.48 9.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 . . . . . 0 C--O 1.25 1.132 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.9 -174.326 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -105.45 -172.78 2.16 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.85 56.88 4.28 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.82 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -80.38 -48.44 12.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.802 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.0 m -60.15 -48.14 82.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.274 176.443 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.72 -46.12 90.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.807 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.01 -48.35 81.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.005 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.63 76.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.599 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' SER . 97.5 t -63.2 -41.75 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.942 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.52 -46.73 88.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.977 0.418 . . . . 0.0 110.084 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.19 -37.0 84.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.152 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 53.8 tptt -63.45 -52.87 59.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.12 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -65.26 -31.38 53.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.853 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -62.5 -51.12 68.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -60.46 -39.72 88.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.674 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.6 mt -57.9 -58.17 9.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.957 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -64.57 -37.41 87.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.954 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.82 -44.95 88.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.722 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.51 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 tp60 -65.17 -39.52 93.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.272 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 6.3 m-20 -64.5 -40.82 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.692 179.122 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 47.1 t80 -60.14 -44.21 95.12 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.308 0.575 . . . . 0.0 109.885 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 8.2 t-80 -66.08 -34.65 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.007 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 90.8 mt -69.11 -34.86 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.466 176.368 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 39.9 mt-10 -55.74 -57.35 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.698 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 22' ' ' HIS . 2.9 p-10 -66.81 -30.57 70.79 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.818 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -57.73 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.524 176.016 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 95.0 t -60.44 -41.06 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.701 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -58.28 -44.05 88.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -64.02 -45.15 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.16 -43.2 74.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.012 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 62.6 pttt -72.05 -26.42 62.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.907 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -71.58 -42.67 67.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.83 -45.2 94.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.784 HG11 HD11 ' B' ' 30' ' ' LEU . 8.1 p -79.15 -22.35 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 110.684 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.24 37.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.517 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 64.91 177.4 0.19 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.899 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -118.52 102.72 9.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.813 0.339 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.47 -154.94 24.3 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.512 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -101.19 47.2 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 111.07 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m -55.95 -61.51 2.32 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.784 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' SER . . . . . 0.466 ' O ' HG23 ' B' ' 9' ' ' VAL . 11.3 m -62.04 -49.9 74.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.481 0.488 . . . . 0.0 110.382 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.19 -59.76 3.62 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 124.038 0.836 . . . . 0.0 110.961 -175.154 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.09 -42.46 99.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.318 0.386 . . . . 0.0 110.838 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.84 82.26 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.446 0.466 . . . . 0.0 110.947 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 5' ' ' SER . 97.7 t -56.54 -45.38 82.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 123.534 0.522 . . . . 0.0 111.023 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -58.88 -52.07 67.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.487 0.492 . . . . 0.0 110.435 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.52 -32.97 73.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -64.23 -56.59 13.62 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.88 -26.68 30.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 O-C-N 123.047 0.217 . . . . 0.0 110.644 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -56.33 -52.99 62.51 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -56.64 -44.39 81.25 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.961 0.788 . . . . 0.0 110.294 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.1 -50.98 69.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 123.231 0.332 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.48 -55.25 33.92 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.395 0.435 . . . . 0.0 111.112 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.27 -32.47 74.14 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.383 0.427 . . . . 0.0 110.881 -172.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -53.57 -38.79 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.507 0.505 . . . . 0.0 110.668 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.48 -57.77 8.13 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.884 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -56.45 -42.0 77.42 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 123.684 0.615 . . . . 0.0 111.152 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -55.36 -49.04 73.31 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.602 0.564 . . . . 0.0 110.053 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.56 -51.76 39.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.546 0.529 . . . . 0.0 110.106 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.13 -48.68 67.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 123.818 0.699 . . . . 0.0 111.225 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 22.7 m-80 -64.2 -50.29 68.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.299 0.374 . . . . 0.0 110.678 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -68.22 -43.09 78.74 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.302 0.376 . . . . 0.0 110.821 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.54 -33.51 63.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.82 99.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 20.4 mmt85 -62.89 -51.51 66.7 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.784 HD11 HG11 ' A' ' 34' ' ' VAL . 53.4 tp -58.94 -49.57 77.32 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.655 0.597 . . . . 0.0 110.062 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -53.72 -50.82 65.1 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 124.073 0.858 . . . . 0.0 110.653 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -71.42 -38.85 71.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.259 0.35 . . . . 0.0 111.769 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.131 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.12 -19.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.164 0.507 . . . . 0.0 110.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.81 -75.71 1.07 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.947 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.61 138.98 18.49 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -172.069 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.53 172.372 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -157.3 -42.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.44 179.49 50.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.656 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -66.86 -24.86 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.568 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -64.18 -28.18 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.749 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 9' ' ' VAL . 45.8 m -68.0 -42.33 80.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.357 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.88 -43.48 92.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.949 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.84 97.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 5' ' ' SER . 74.9 t -62.91 -47.4 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -56.46 -45.64 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 110.219 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -51.35 69.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.191 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.0 ttmt -63.74 -49.37 73.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.672 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -62.52 -36.97 77.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.318 -175.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -72.02 -37.05 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -67.13 -37.39 83.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.919 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 81.3 mt -67.57 -38.4 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.44 -44.44 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 15.6 tp10 -57.27 -54.76 43.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.843 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -57.37 -42.52 82.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.371 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 6.5 m-20 -69.22 -55.71 9.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.217 -178.259 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.82 -44.27 81.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.506 0.669 . . . . 0.0 110.334 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.7 t60 -61.1 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.274 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD11 HG21 ' B' ' 27' ' ' VAL . 35.7 tp -74.44 -37.42 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.35 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 48.1 mt-10 -58.21 -48.36 80.6 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.22 -44.0 96.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.03 -57.12 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.306 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 p -61.72 -35.92 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.856 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . -59.83 -48.15 82.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -76.43 -26.65 55.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.166 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.1 -53.18 49.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.832 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HA ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.89 -20.8 62.47 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.473 179.151 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.62 -43.32 89.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.018 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.1 -52.47 12.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.541 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 31' ' ' LYS . 11.8 p -73.43 -29.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.39 -41.36 7.43 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.522 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 62.94 -166.58 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 0.0 111.258 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 . . . . . 0 C--O 1.244 0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.067 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -75.64 126.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.04 173.27 35.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -58.43 -43.39 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.167 0.483 . . . . 0.0 111.056 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.9 p -62.34 -37.33 85.23 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.467 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -81.82 -58.69 2.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.069 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 tp -56.2 -53.77 53.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.94 0.496 . . . . 0.0 111.529 -170.774 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.6 -32.19 71.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 123.072 0.233 . . . . 0.0 110.543 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.56 33.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.517 ' O ' HG12 ' B' ' 13' ' ' ILE . 89.6 t -57.91 -47.98 85.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 123.657 0.598 . . . . 0.0 109.865 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -48.98 -55.39 12.04 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.955 0.784 . . . . 0.0 110.178 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.5 -46.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.473 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.38 -58.55 4.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.214 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 9' ' ' VAL . 37.2 pt -61.66 -35.54 67.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 O-C-N 122.992 0.183 . . . . 0.0 111.032 -172.674 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.28 -47.02 86.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -62.1 -42.8 99.59 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 123.558 0.536 . . . . 0.0 110.143 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 98.3 mt -57.05 -48.24 79.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 123.568 0.542 . . . . 0.0 110.461 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.25 -47.44 84.38 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.522 0.514 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.4 56.5 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.86 0.725 . . . . 0.0 109.866 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.33 -46.52 89.63 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 10.4 m-80 -56.57 -47.37 79.66 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.326 0.391 . . . . 0.0 110.811 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.07 -41.13 96.05 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -62.24 -51.09 69.15 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.917 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.8 -52.9 54.97 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.828 0.705 . . . . 0.0 111.171 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 46.3 mt-10 -51.12 -52.35 44.61 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.92 0.762 . . . . 0.0 111.239 -175.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -71.62 -33.47 68.99 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.397 0.436 . . . . 0.0 110.75 -173.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.83 -50.5 20.1 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 23' ' ' LEU . 9.9 p -64.8 -25.82 38.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.18 93.61 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.68 -43.89 69.27 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.699 0.624 . . . . 0.0 110.628 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 27' ' ' VAL . 8.3 mp -58.95 -61.45 2.62 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 123.517 0.511 . . . . 0.0 110.487 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.617 ' HA ' HG12 ' B' ' 34' ' ' VAL . 52.7 pttt -69.53 -25.04 63.83 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.627 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.53 -44.5 62.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.845 0.355 . . . . 0.0 110.477 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -69.49 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' B' ' 31' ' ' LYS . 9.0 p -82.12 -19.5 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.53 -52.86 27.77 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.588 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 63.1 -172.05 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.348 0.594 . . . . 0.0 111.525 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.975 173.725 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -94.68 26.56 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.133 0.492 . . . . 0.0 110.803 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.81 -176.47 14.45 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.749 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m 65.39 14.16 9.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.147 0.499 . . . . 0.0 110.726 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -68.27 -29.27 68.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -62.01 -47.57 84.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.385 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.47 -46.37 90.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.71 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.14 -50.11 72.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.755 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.64 88.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.17 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 5' ' ' SER . 78.4 t -64.83 -53.84 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 111.048 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HD2' HH11 ' A' ' 10' ' ' ARG . 0.4 OUTLIER -64.42 -37.57 88.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.422 0.629 . . . . 0.0 109.807 -178.355 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -61.14 -49.15 78.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.704 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.788 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -64.13 -48.48 75.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.166 -177.248 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -62.32 -39.47 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.023 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.52 -45.19 94.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 110.41 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -61.28 -47.03 87.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.501 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.725 HD13 HD13 ' B' ' 16' ' ' LEU . 95.8 mt -63.87 -47.74 79.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -54.96 -53.64 53.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.88 -43.97 97.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.311 0.382 . . . . 0.0 110.849 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.551 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 tp-100 -62.36 -43.63 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 6.3 m-20 -63.95 -44.97 91.2 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.85 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 0.0 109.782 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.07 -41.96 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.495 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 85.8 mt -57.11 -53.72 54.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.865 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HA ' HG12 ' A' ' 27' ' ' VAL . 7.7 mm-40 -62.9 -40.59 98.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.778 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 22.0 m-80 -64.92 -44.67 88.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 110.609 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.31 -40.38 70.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.027 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 7.8 p -68.57 -30.69 48.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -61.63 -43.19 99.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 2.8 mpt_? -56.57 -50.12 72.86 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.09 -54.7 44.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.687 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HA ' HG12 ' A' ' 34' ' ' VAL . 62.5 pttt -71.68 -25.11 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.622 -175.09 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 42.8 tptt -80.5 -22.21 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 tp -76.77 -39.13 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.439 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 31' ' ' LYS . 8.9 p -84.48 -35.14 10.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.835 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.33 -48.97 7.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 57.08 -153.07 0.38 Allowed 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.625 0.37 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.288 177.236 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 0.0 111.035 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.97 79.17 1.44 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.472 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.37 87.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.902 0.382 . . . . 0.0 110.593 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -71.31 -43.17 67.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.6 -35.77 81.62 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.713 0.633 . . . . 0.0 110.271 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.86 -46.4 67.83 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.79 0.681 . . . . 0.0 109.694 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -54.72 -52.62 61.91 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.575 0.547 . . . . 0.0 110.446 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.98 68.89 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.572 0.545 . . . . 0.0 110.385 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' VAL . . . . . 0.425 ' O ' HG12 ' B' ' 13' ' ' ILE . 85.7 t -57.61 -43.73 83.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 123.582 0.551 . . . . 0.0 110.336 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.43 ' HD2' HH11 ' B' ' 10' ' ' ARG . 44.7 ttm180 -50.63 -61.74 2.02 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 123.797 0.686 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -67.49 -34.3 76.85 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' LYS . . . . . 0.799 ' HE3' ' HA ' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -57.35 -59.77 4.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.378 0.424 . . . . 0.0 110.396 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.552 ' HA ' HD12 ' B' ' 16' ' ' LEU . 38.2 pt -65.3 -35.04 74.42 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 123.203 0.314 . . . . 0.0 110.661 -174.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -69.56 -40.68 76.63 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m -61.17 -42.26 98.24 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LEU . . . . . 0.725 HD13 HD13 ' A' ' 16' ' ' LEU . 84.1 mt -55.59 -49.6 72.31 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 123.506 0.504 . . . . 0.0 109.763 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 75.4 mt-30 -53.16 -53.32 52.2 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.443 0.464 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -61.29 2.27 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.755 0.659 . . . . 0.0 109.839 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.77 -40.03 75.13 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 123.504 0.502 . . . . 0.0 111.927 -172.719 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 4.8 m-20 -65.04 -52.37 56.31 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.14 -41.99 93.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -56.29 -59.72 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.0 -31.92 69.84 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 123.332 0.395 . . . . 0.0 110.871 -174.222 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.52 -48.53 81.31 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 30.9 m-80 -68.59 -39.69 80.83 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -52.33 -59.53 4.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 123.818 0.699 . . . . 0.0 110.48 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.94 -36.05 74.02 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.04 83.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.255 0.347 . . . . 0.0 110.582 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 28.6 mmm180 -62.23 -37.43 85.35 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.6 tp -70.31 -46.01 65.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.581 0.551 . . . . 0.0 110.638 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.17 63.95 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -73.0 -27.5 61.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.439 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.73 -43.4 93.5 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.085 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.67 -37.07 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.06 -61.27 1.68 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.718 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 59.41 76.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.535 0.734 . . . . 0.0 111.883 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.303 172.078 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -135.38 127.61 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.09 -77.23 2.15 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.981 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -52.48 63.63 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -69.37 -46.09 67.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.459 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -53.82 -50.43 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.034 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.66 -46.21 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.445 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.006 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -54.67 41.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.412 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 13' ' ' ILE . 58.6 t -63.69 -37.56 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.227 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.88 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -67.01 -35.53 80.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.545 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -61.95 -55.21 31.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.733 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.2 pt -66.01 -33.21 62.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.215 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -62.07 -43.33 99.06 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.813 0.34 . . . . 0.0 110.292 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 m -65.66 -40.42 92.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.408 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.78 -43.13 97.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.45 -45.69 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.702 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.62 -45.47 91.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.9 tt0 -58.2 -48.1 81.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.412 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -54.83 -48.12 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.359 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.64 -46.53 84.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.032 0.444 . . . . 0.0 110.514 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 20.1 t-80 -71.31 -32.5 68.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.136 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 72.3 mt -67.95 -40.84 83.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.576 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.24 -46.05 85.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.861 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.59 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 18.2 p30 -75.44 -19.68 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.576 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 4.3 tp10 -66.3 -56.78 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.5 -33.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.226 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.12 99.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.702 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 1.4 mpt_? -58.16 -52.84 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' B' ' 30' ' ' LEU . 11.2 mp -60.89 -45.61 93.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.881 -176.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 34' ' ' VAL . 59.8 pttt -74.64 -23.27 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.246 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -80.82 -27.0 36.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.348 0.594 . . . . 0.0 109.793 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -51.52 12.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.82 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 31' ' ' LYS . 12.2 p -75.52 -27.36 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.07 0.462 . . . . 0.0 110.71 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.28 -22.02 76.77 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.001 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 62.78 -155.67 0.34 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 124.054 0.502 . . . . 0.0 110.385 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.894 -0.574 . . . . 0.0 109.809 178.564 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 58.96 25.38 13.7 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.755 0.422 . . . . 0.0 111.471 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.5 143.28 3.62 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -115.64 -76.35 0.58 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.7 m -70.67 -35.39 72.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -66.63 -23.0 66.11 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 123.643 0.589 . . . . 0.0 109.914 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.405 ' HG ' ' NH2' ' B' ' 10' ' ' ARG . 42.7 tp -85.57 -62.2 1.58 Allowed 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -55.66 -63.08 1.29 Allowed 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.845 0.716 . . . . 0.0 111.875 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.73 55.03 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.629 0.58 . . . . 0.0 111.517 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.3 -41.89 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 123.395 0.434 . . . . 0.0 110.393 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.405 ' NH2' ' HG ' ' B' ' 6' ' ' LEU . 32.3 ttm180 -57.02 -50.75 71.78 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -57.54 -40.99 80.05 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 123.482 0.489 . . . . 0.0 110.283 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -66.82 -52.48 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.732 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.91 -30.31 49.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.66 -45.82 92.66 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -57.85 -39.04 76.79 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 123.543 0.527 . . . . 0.0 109.842 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.22 -49.22 76.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.421 0.451 . . . . 0.0 109.929 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' B' ' 20' ' ' ASN . 76.7 mt-30 -59.73 -49.11 79.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.301 0.376 . . . . 0.0 111.191 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 -28.0 65.78 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -66.12 -35.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.084 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 7.5 m-20 -52.45 -68.6 0.16 Allowed 'General case' 0 CA--C 1.515 -0.385 0 O-C-N 124.167 0.917 . . . . 0.0 110.718 179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -54.22 -38.54 65.8 Favored 'General case' 0 C--O 1.212 -0.899 0 O-C-N 123.868 0.73 . . . . 0.0 110.721 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -60.98 -54.53 43.84 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.689 0.618 . . . . 0.0 109.84 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 93.2 mt -64.76 -38.83 92.32 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.492 -175.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.25 -38.1 82.42 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.96 -45.49 81.57 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 123.628 0.58 . . . . 0.0 109.765 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -44.48 42.73 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 123.943 0.777 . . . . 0.0 110.827 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -55.62 -57.87 6.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.36 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.823 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -43.03 99.01 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 123.289 0.368 . . . . 0.0 110.29 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -50.53 -42.98 55.8 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 124.349 1.031 . . . . 0.0 110.247 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 30' ' ' LEU . 6.7 tt -85.33 -51.44 6.57 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.705 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 64.1 pttt -57.72 -40.46 79.65 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.201 0.313 . . . . 0.0 111.54 -170.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.61 -33.44 72.77 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.949 0.405 . . . . 0.0 110.85 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.6 tm? -82.63 -42.7 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.229 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.2 p -68.73 -24.02 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.3 73.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.566 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.86 177.46 0.17 Allowed 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.266 0.626 . . . . 0.0 112.266 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.96 179.137 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -98.72 -163.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.82 -105.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -96.17 -3.5 44.28 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 t -54.11 -54.07 44.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.782 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -57.55 -52.21 66.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.14 -47.33 85.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.23 -40.5 90.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' LYS . . . -62.13 -51.26 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.449 -177.687 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.51 -33.4 56.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.718 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -62.33 -57.89 9.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.132 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -67.41 -24.43 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.542 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 tppt? -59.63 -59.71 5.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.85 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.79 -29.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.06 -50.31 73.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.753 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.56 -41.62 92.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 94.1 mt -62.32 -49.32 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.564 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.27 -45.56 87.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.501 0.191 . . . . 0.0 110.982 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -59.27 -50.3 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.1 tp-100 -61.86 -44.33 97.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -177.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -59.53 -51.61 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.316 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.47 -39.05 88.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.694 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.02 -48.91 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.9 mt -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -51.96 60.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.889 0.376 . . . . 0.0 110.522 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.66 -38.82 87.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.491 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.28 -45.52 80.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 111.261 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.32 -38.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.361 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -42.14 99.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.831 176.092 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.19 -51.26 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.534 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.68 -31.17 71.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 -177.74 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 20.7 tptm -71.33 -42.01 69.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.41 -46.38 90.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.071 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 31' ' ' LYS . 14.5 p -70.03 -27.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 0.0 110.672 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.85 -19.49 78.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.262 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.927 176.344 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -137.88 164.04 29.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.89 56.22 0.29 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.779 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m 67.82 23.7 8.4 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.017 0.527 . . . . 0.0 111.138 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -67.1 -57.41 6.85 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.328 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -33.64 76.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.474 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.93 -63.94 1.04 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.58 0.55 . . . . 0.0 110.595 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.04 -41.3 78.4 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.555 0.534 . . . . 0.0 110.753 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.98 10.05 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.528 0.518 . . . . 0.0 110.464 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.44 -41.49 88.78 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 123.288 0.367 . . . . 0.0 110.374 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -58.64 -49.63 76.81 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.335 0.397 . . . . 0.0 109.95 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.95 -40.03 95.5 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -62.53 -52.03 65.04 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.761 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.39 -27.88 38.4 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -62.98 -49.13 75.91 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -54.54 -40.07 68.3 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.842 0.714 . . . . 0.0 110.459 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.5 -60.55 3.49 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 123.522 0.514 . . . . 0.0 110.416 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -63.55 -37.46 87.42 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.555 0.534 . . . . 0.0 109.824 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -55.54 -52.19 64.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 123.937 0.773 . . . . 0.0 110.212 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.05 -37.89 66.69 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.931 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 3.8 m-20 -55.75 -51.93 65.67 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.492 0.495 . . . . 0.0 111.056 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.19 -45.34 83.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -61.69 -51.45 68.35 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.329 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.48 -52.46 64.64 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.687 0.617 . . . . 0.0 110.631 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.55 -42.62 71.16 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.569 0.543 . . . . 0.0 110.905 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 29.9 m-80 -73.5 -43.85 59.14 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.03 -54.2 49.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.697 0.623 . . . . 0.0 110.757 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 11.7 p -58.66 -38.92 74.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.25 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 1.025 ' HA ' ' HE3' ' B' ' 31' ' ' LYS . . . -59.36 -46.55 88.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.286 0.366 . . . . 0.0 110.308 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 86.7 mtt180 -58.81 -55.05 40.15 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 123.98 0.8 . . . . 0.0 109.814 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.17 -65.93 0.49 Allowed 'General case' 0 C--O 1.222 -0.388 0 O-C-N 123.949 0.781 . . . . 0.0 112.159 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 1.025 ' HE3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -61.77 -30.8 71.04 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.173 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 34.1 ttpt -71.21 -37.82 72.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.598 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.3 tm? -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.465 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.86 -26.0 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 111.209 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.15 76.79 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.101 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 64.2 -164.38 0.25 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.766 0.426 . . . . 0.0 110.545 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 119.055 -0.497 . . . . 0.0 110.439 176.37 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.271 -0.332 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -136.63 16.45 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.563 . . . . 0.0 110.629 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.12 127.64 1.79 Allowed Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.93 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -71.32 -32.66 68.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 m -63.31 -41.89 98.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -66.34 -35.02 79.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.232 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.09 -52.49 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.246 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.6 -33.42 75.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.178 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -53.11 53.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.961 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 13' ' ' ILE . 87.7 t -66.44 -40.92 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HD3' ' C ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -59.15 -49.98 75.78 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -178.254 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -60.08 -45.72 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.149 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.98 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.291 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 36.5 pt -64.94 -35.28 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.564 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -69.42 -37.77 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.352 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 t -63.51 -36.28 83.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.86 -41.85 99.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.665 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 73.6 mt-30 -59.55 -48.78 80.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 176.693 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.136 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -59.64 -40.48 87.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.644 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 1.9 m-20 -57.98 -58.54 7.96 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.523 175.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -58.03 -37.55 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -60.66 -50.28 74.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.861 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.24 -45.13 77.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.14 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 46.8 mt-10 -53.53 -55.89 21.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 -178.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.26 -40.69 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.205 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.49 -48.34 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.437 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.54 -30.93 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.92 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -64.28 -43.18 95.61 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -66.97 -39.55 87.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' B' ' 31' ' ' LYS . 4.8 tt -66.0 -51.67 56.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.444 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.92 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 63.4 pttt -63.87 -34.39 77.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.008 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -69.08 -33.51 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.21 -40.21 38.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.511 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 31' ' ' LYS . 14.8 p -70.79 -30.0 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.22 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -62.85 3.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.704 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.49 -178.76 6.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.461 . . . . 0.0 110.504 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.501 -0.761 . . . . 0.0 109.793 176.57 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.925 -0.47 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 59.21 59.2 2.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.339 0.59 . . . . 0.0 110.285 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.08 130.08 6.35 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.741 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 66.8 m -84.81 3.39 37.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.815 -0.227 . . . . 0.0 111.206 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.2 m -59.66 -64.44 0.94 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.068 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -68.74 -35.63 77.35 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.598 ' HB3' ' HA ' ' B' ' 3' ' ' SER . 57.6 tp -60.63 -62.07 2.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.588 -175.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.76 -41.92 95.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 123.359 0.412 . . . . 0.0 110.447 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -57.81 8.16 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 123.937 0.773 . . . . 0.0 111.02 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.77 -41.12 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -52.94 -47.66 67.89 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.253 0.621 . . . . 0.0 110.912 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -68.24 -53.95 21.1 Favored 'General case' 0 N--CA 1.444 -0.757 0 O-C-N 123.233 0.333 . . . . 0.0 110.741 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -67.73 -38.0 82.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.787 -168.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 17' ' ' GLN . 2.8 pp -65.82 -30.04 48.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 CA-C-N 117.98 0.354 . . . . 0.0 110.638 -175.473 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -65.79 -42.4 90.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -63.22 -41.76 99.16 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.025 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.98 -37.26 86.42 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.566 0.541 . . . . 0.0 110.847 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 95.2 mt-30 -59.84 -52.36 65.76 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.23 -42.64 99.49 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -54.76 -45.92 74.29 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.642 0.589 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.37 -53.18 59.92 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 123.454 0.471 . . . . 0.0 110.506 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.48 -36.44 83.76 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 123.292 0.37 . . . . 0.0 110.21 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -42.46 78.87 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.429 0.455 . . . . 0.0 109.924 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.6 -45.63 64.94 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.67 -48.39 77.72 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 123.79 0.681 . . . . 0.0 110.117 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -58.07 -50.32 73.88 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.294 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -49.79 70.53 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.44 0.463 . . . . 0.0 111.229 -176.146 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.86 -38.26 75.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 31' ' ' LYS . . . -63.81 -49.74 71.7 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 123.305 0.378 . . . . 0.0 110.013 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -60.99 -47.58 85.8 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.546 0.529 . . . . 0.0 109.735 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.525 ' HB3' HD22 ' A' ' 30' ' ' LEU . 9.1 mp -63.9 -45.81 87.66 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.54 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.577 ' HA ' HG12 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -66.35 -32.51 73.94 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 5.9 tmtm? -70.34 -29.19 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 0.0 110.173 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -77.1 -44.64 29.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.8 p -69.18 -19.88 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.082 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.46 76.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.104 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -89.63 111.87 22.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.006 -176.091 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -102.19 158.69 16.0 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 122.66 -0.318 . . . . 0.0 110.369 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.92 56.05 4.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.063 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -72.03 -16.74 62.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.809 0.338 . . . . 0.0 110.966 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -56.61 -40.26 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.261 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -63.34 -43.32 98.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.873 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.69 -45.74 74.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.912 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -63.08 -39.54 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.526 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.56 77.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.897 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 13' ' ' ILE . 85.5 t -61.47 -50.25 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.237 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -54.43 -45.39 73.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -58.68 -49.36 77.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.973 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.737 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.84 -41.9 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -175.463 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.6 pt -68.84 -34.55 65.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.657 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -63.19 -48.61 77.63 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' SER . . . . . 0.53 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 24.4 t -53.44 -47.78 69.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.816 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.5 mt -62.7 -51.82 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.246 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 44.3 mt-30 -67.1 -41.99 85.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.418 -175.588 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -68.04 -34.39 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -65.74 -45.79 81.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -62.04 -35.53 78.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.651 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.68 -50.64 71.67 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.095 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -62.86 -48.36 79.36 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.804 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 86.5 mt -60.43 -34.72 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.417 -178.412 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.38 -47.54 78.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.24 -38.66 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.467 0.651 . . . . 0.0 110.139 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.45 -51.99 65.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.772 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.55 -28.55 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.4 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -60.32 -44.43 95.47 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.11 0.481 . . . . 0.0 110.185 175.459 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -63.57 -42.61 98.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.548 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.94 -46.71 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.855 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 65.7 pttt -68.67 -29.29 67.72 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.43 -26.78 46.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 0.0 109.875 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.7 tp -71.63 -50.73 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.739 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.46 -33.64 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.87 -74.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.077 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.899 ' HG3' ' H ' ' A' ' 37' ' ' ARG . 7.0 tp10 55.97 -150.24 0.43 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ARG . . . . . 0.899 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 8.6 ttm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.135 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -66.74 95.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.5 -30.29 4.56 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.219 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -79.88 95.67 6.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.362 0.601 . . . . 0.0 111.429 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 33.7 t -86.96 -75.16 0.41 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.583 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -71.8 -36.61 70.33 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.919 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -52.58 -57.26 10.56 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.769 0.668 . . . . 0.0 109.772 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.99 -54.35 39.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.583 0.552 . . . . 0.0 110.371 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.73 11.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 123.779 0.675 . . . . 0.0 111.753 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.41 -54.46 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 123.238 0.337 . . . . 0.0 111.06 -172.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -60.34 -42.07 94.91 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.414 0.446 . . . . 0.0 110.547 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -62.43 -50.96 69.43 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -62.73 -49.09 76.43 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 pt -64.17 -35.28 73.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.528 -175.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -64.84 -50.07 68.09 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -50.79 -46.08 59.45 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.964 0.79 . . . . 0.0 110.506 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.13 -55.91 27.26 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.791 0.682 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.96 -45.28 67.74 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.389 0.431 . . . . 0.0 110.81 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.23 -46.06 88.7 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.373 0.421 . . . . 0.0 110.309 -174.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -71.05 -26.99 63.32 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -56.89 -54.25 48.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.44 -38.19 77.72 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -57.66 -47.72 81.48 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 123.411 0.444 . . . . 0.0 109.825 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.98 -33.54 70.79 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.594 0.559 . . . . 0.0 110.806 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.679 ' HA ' HG12 ' B' ' 27' ' ' VAL . 43.8 mt-10 -67.7 -23.82 65.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.57 -41.48 75.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -73.26 -59.1 2.87 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 123.44 0.463 . . . . 0.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.679 HG12 ' HA ' ' B' ' 24' ' ' GLU . 14.0 p -56.86 -36.79 50.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 123.535 0.522 . . . . 0.0 111.631 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.35 -48.9 68.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 123.404 0.44 . . . . 0.0 110.701 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -79.98 -39.92 29.08 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.49 -60.3 3.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 123.872 0.732 . . . . 0.0 110.699 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.8 71.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 123.082 0.239 . . . . 0.0 110.479 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.13 -31.82 44.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.418 -174.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.25 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.585 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.97 -27.34 27.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.012 0.434 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.72 -75.82 1.24 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' B' ' 37' ' ' ARG . 6.9 tp10 52.07 -98.41 0.07 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.533 0.733 . . . . 0.0 110.679 -175.357 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.405 ' H ' ' HB3' ' B' ' 36' ' ' GLU . 13.1 ttt85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.784 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -107.12 98.84 8.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.124 0.488 . . . . 0.0 109.834 175.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.62 30.6 1.82 Allowed Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 13.9 t -81.73 60.94 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.364 0.602 . . . . 0.0 110.356 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -87.22 -73.34 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -71.91 -33.62 68.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.98 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.79 -50.31 73.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.586 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 5.8 tp10 -66.06 -38.72 89.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.222 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -58.16 -55.4 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.974 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.99 -45.64 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 67.4 ttt180 -53.52 -52.0 61.04 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.83 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -62.98 -43.05 99.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.766 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 59.0 mtpt -58.16 -61.06 2.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 14' ' ' ARG . 2.8 pp -67.89 -33.1 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -172.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 13' ' ' ILE . 6.6 tpt180 -75.74 -37.19 59.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.853 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 p -68.96 -39.09 79.69 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 92.7 mt -62.34 -45.77 91.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.276 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.24 -47.67 80.78 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.03 -54.28 47.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -55.56 -48.23 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.339 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -62.05 -49.22 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 -179.107 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -69.6 -42.91 73.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.319 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.13 -36.82 75.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.94 -41.1 95.6 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.1 -43.14 99.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.71 -44.77 73.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.605 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.53 -36.02 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -68.6 -39.06 81.06 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 121.012 0.434 . . . . 0.0 110.136 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.56 -45.43 91.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.343 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.55 -47.69 82.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.836 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HA ' HG12 ' A' ' 34' ' ' VAL . 56.4 pttt -74.66 -19.09 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.927 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.29 -46.47 67.12 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.196 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.761 HG12 ' HA ' ' A' ' 31' ' ' LYS . 8.6 p -80.12 -20.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.045 0.45 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.49 -43.41 37.34 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.834 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.54 113.51 9.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.943 0.401 . . . . 0.0 110.062 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.692 -0.67 . . . . 0.0 109.545 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -84.69 94.73 8.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.053 0.454 . . . . 0.0 110.166 177.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' GLY . . . . . 0.542 ' HA2' ' HB3' ' B' ' 6' ' ' LEU . . . -120.31 66.33 0.43 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.429 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.6 p -127.07 -77.35 0.58 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.804 0.335 . . . . 0.0 111.412 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -85.32 -44.45 12.82 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.78 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.2 -75.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.256 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' LEU . . . . . 0.542 ' HB3' ' HA2' ' B' ' 2' ' ' GLY . 59.2 tp -47.59 -67.37 0.28 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.079 0.862 . . . . 0.0 112.874 -170.192 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.17 -37.91 87.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.336 0.397 . . . . 0.0 111.295 -169.214 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -55.93 28.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 123.509 0.506 . . . . 0.0 110.41 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.14 -38.83 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 O-C-N 123.454 0.471 . . . . 0.0 110.204 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' ARG . . . . . 0.4 ' O ' HG13 ' B' ' 13' ' ' ILE . 33.6 ttp180 -52.83 -50.25 64.08 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.834 0.709 . . . . 0.0 111.902 -174.621 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -71.61 -35.06 70.35 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 118.018 0.372 . . . . 0.0 110.291 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.27 -41.51 89.76 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.292 0.37 . . . . 0.0 110.671 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 10' ' ' ARG . 2.8 pp -70.7 -25.9 27.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -72.41 -34.06 67.59 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -55.43 -45.17 76.81 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.21 -44.18 97.17 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.134 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 17.6 mm-40 -58.3 -46.37 86.23 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.129 0.268 . . . . 0.0 110.448 -178.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.18 -47.88 80.12 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.549 0.531 . . . . 0.0 109.78 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -55.23 -58.96 5.56 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.935 0.772 . . . . 0.0 110.294 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -54.16 -43.01 70.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.681 0.613 . . . . 0.0 110.88 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.99 -59.38 5.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.645 0.59 . . . . 0.0 110.677 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' HIS . . . . . 0.607 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 17.4 m-70 -67.35 -36.05 80.61 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 123.355 0.409 . . . . 0.0 111.044 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' LEU . . . . . 0.412 ' O ' HG12 ' B' ' 27' ' ' VAL . 4.6 tt -48.85 -54.6 14.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.874 0.734 . . . . 0.0 109.849 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.36 -57.49 10.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.449 0.468 . . . . 0.0 111.826 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' ASN . . . . . 0.607 ' OD1' ' HA ' ' B' ' 22' ' ' HIS . 2.3 p-10 -64.21 -38.57 91.52 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 117.853 0.297 . . . . 0.0 110.439 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 26' ' ' GLU . . . . . 0.593 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.1 tp10 -66.8 -51.22 58.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 23' ' ' LEU . 9.2 p -67.02 -35.63 75.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.988 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -59.1 -51.5 69.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.434 0.459 . . . . 0.0 109.841 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' B' ' 29' ' ' ARG . 36.6 ttt-85 -59.35 -53.78 54.33 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 123.755 0.659 . . . . 0.0 110.249 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.03 -56.45 16.01 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 123.88 0.737 . . . . 0.0 111.696 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.988 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 54.9 pttt -62.08 -39.25 91.81 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 123.411 0.444 . . . . 0.0 110.96 -173.271 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 32' ' ' LYS . . . . . 0.544 ' HD3' ' C ' ' B' ' 32' ' ' LYS . 13.5 tmtt? -74.99 -42.74 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.463 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.64 -44.7 96.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.886 -173.372 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.78 -35.26 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 111.527 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.26 -32.2 17.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 -176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 58.65 43.85 18.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.334 0.587 . . . . 0.0 110.448 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 37' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.523 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -130.23 -179.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.591 0.234 . . . . 0.0 110.779 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.67 65.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.877 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -64.27 -55.8 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.589 0.233 . . . . 0.0 111.161 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -66.18 -35.62 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.674 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -61.88 -50.3 72.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.9 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.675 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.17 -33.86 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.88 -45.28 93.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 109.91 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 13' ' ' ILE . 60.4 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.357 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -52.57 -52.34 55.54 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.384 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 11' ' ' ARG . 19.1 ttm-85 -62.78 -41.62 99.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 110.414 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 18.8 tptm -62.57 -55.1 30.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.108 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.5 pt -65.48 -38.0 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.337 -177.046 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -63.27 -47.86 80.59 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -59.57 -46.4 89.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.118 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 88.9 mt -62.25 -46.1 90.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.658 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 79.4 mt-30 -59.51 -44.27 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.023 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.57 -39.11 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.05 -47.51 84.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.276 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -59.16 -42.38 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.74 -46.65 88.49 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.968 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -60.67 -52.29 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.766 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.78 -45.16 86.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.15 -50.01 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.132 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASN . . . . . 0.588 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 39.2 m-80 -71.22 -37.12 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.023 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -66.86 -44.36 81.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.63 -30.89 48.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.93 99.86 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.39 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mpt_? -65.28 -42.59 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 176.585 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.98 -47.3 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.736 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 34' ' ' VAL . 55.5 pttt -63.99 -32.87 74.56 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.45 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.52 -43.92 88.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.08 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.02 -46.71 73.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.175 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 31' ' ' LYS . 13.5 p -73.2 -35.69 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.576 0.226 . . . . 0.0 111.521 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.19 -43.54 25.64 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.357 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 61.89 -174.92 0.14 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.483 0.659 . . . . 0.0 111.802 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.909 175.553 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -81.84 139.96 34.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.808 0.337 . . . . 0.0 111.001 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.24 158.1 9.98 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.157 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -74.6 -18.17 60.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.351 . . . . 0.0 111.444 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -70.46 -63.28 1.12 Allowed 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -58.39 -46.55 86.17 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.528 0.518 . . . . 0.0 110.721 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -50.03 -58.68 4.98 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 123.808 0.693 . . . . 0.0 111.015 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.3 -48.14 65.72 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 123.37 0.419 . . . . 0.0 110.538 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.0 62.21 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.672 0.607 . . . . 0.0 111.237 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.62 -54.71 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 O-C-N 123.357 0.411 . . . . 0.0 110.418 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -53.12 -47.55 68.56 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.449 0.468 . . . . 0.0 110.728 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -56.1 -42.33 76.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.745 0.653 . . . . 0.0 111.019 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -79.82 -48.22 13.9 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.498 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ILE . . . . . 0.414 HD12 ' N ' ' B' ' 14' ' ' ARG . 2.9 pp -66.75 -29.97 48.14 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 CA-C-O 119.62 -0.229 . . . . 0.0 111.27 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 14' ' ' ARG . . . . . 0.414 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.0 ptm180 -69.96 -28.99 66.01 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 46.9 t -71.95 -38.67 69.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.9 -45.21 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.51 -41.74 86.1 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.315 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.59 -53.19 60.89 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -56.58 -47.86 78.61 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 123.649 0.593 . . . . 0.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 8.2 m-20 -56.08 -55.3 34.55 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.478 0.487 . . . . 0.0 110.616 179.575 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.02 -50.97 71.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 123.852 0.72 . . . . 0.0 110.397 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.2 -50.32 73.95 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 123.806 0.691 . . . . 0.0 110.353 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.02 -53.92 52.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 123.455 0.472 . . . . 0.0 110.653 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' GLU . . . . . 0.492 ' HA ' HG12 ' B' ' 27' ' ' VAL . 37.1 tt0 -61.7 -43.78 98.2 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 123.513 0.508 . . . . 0.0 110.489 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.42 -49.73 76.42 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.575 0.547 . . . . 0.0 110.287 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -41.37 72.92 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' B' ' 24' ' ' GLU . 9.9 p -66.89 -32.7 59.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' ALA . . . . . 0.668 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -45.37 91.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.672 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -57.42 -48.25 79.62 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.364 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 34' ' ' VAL . 57.8 tp -61.51 -51.39 68.82 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.116 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.668 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 62.1 pttt -64.55 -33.38 75.77 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 123.277 0.361 . . . . 0.0 110.14 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.97 -42.0 70.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.671 0.272 . . . . 0.0 110.358 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.84 -50.69 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.634 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.78 -26.77 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.376 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.53 -29.83 72.99 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.26 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -91.77 124.76 36.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 111.205 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.726 174.307 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t . . . . . 0 N--CA 1.455 -0.205 0 CA-C-O 120.878 0.37 . . . . 0.0 110.129 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -63.84 -38.94 92.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.162 0.506 . . . . 0.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -68.06 -44.59 76.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.614 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.21 -41.2 86.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.323 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -58.72 -47.63 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.078 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.69 -51.92 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -60.25 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.459 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -67.15 -32.14 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.669 0.271 . . . . 0.0 110.685 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.41 -51.93 51.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 2.8 pp -72.04 -28.02 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.571 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -66.93 -35.07 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.618 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.76 -46.13 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.08 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 78.1 mt-30 -62.01 -38.42 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.65 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.69 -47.63 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.65 -40.59 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.462 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -58.37 8.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.491 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -69.12 -35.38 76.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.65 -50.97 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.537 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.06 -39.94 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.15 -53.19 59.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.593 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -72.02 -31.8 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.45 -51.91 65.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.4 p -71.83 -27.57 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -61.32 -50.7 71.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.251 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.78 -34.42 78.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.313 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 31' ' ' LYS . 3.7 tt -59.57 -59.01 6.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.416 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 61.5 pttt -71.39 -19.45 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.331 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptt -71.4 -41.31 69.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 66.4 tp -67.44 -52.12 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.602 -178.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' B' ' 34' ' ' VAL . 14.7 p -82.46 -26.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.603 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.21 -61.86 3.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.657 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 . . . . . 0 C--N 1.324 -0.506 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -177.857 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 C--O 1.211 -0.971 0 N-CA-C 109.777 -0.453 . . . . 0.0 109.777 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -85.03 -49.68 8.1 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.101 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -52.08 -74.93 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 O-C-N 123.999 0.812 . . . . 0.0 112.717 -171.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.4 -47.06 85.8 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.311 0.382 . . . . 0.0 111.166 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.94 -55.03 10.89 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 123.756 0.66 . . . . 0.0 111.594 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.84 -46.29 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 123.203 0.314 . . . . 0.0 110.246 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.442 ' C ' ' HD3' ' B' ' 10' ' ' ARG . 2.7 tmt_? -57.68 -47.92 80.96 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.539 0.524 . . . . 0.0 110.762 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -53.72 -47.88 70.13 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.222 0.326 . . . . 0.0 110.384 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 51.1 mtpt -63.0 -56.64 15.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.416 0.447 . . . . 0.0 110.745 -176.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.53 -27.43 42.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 O-C-N 123.094 0.246 . . . . 0.0 110.632 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 14' ' ' ARG . 1.2 tmm_? -63.27 -55.03 28.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.8 m -64.98 -39.1 92.97 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 -175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 12' ' ' LYS . 94.6 mt -55.04 -47.98 74.05 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 123.397 0.435 . . . . 0.0 110.142 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -60.65 -51.81 67.82 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.556 0.535 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.83 -49.28 75.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.779 0.675 . . . . 0.0 110.447 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.1 tp60 -55.15 -58.66 6.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.642 0.589 . . . . 0.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -70.97 -25.31 62.66 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.828 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.89 -51.69 68.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -61.87 -40.86 96.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.009 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 27' ' ' VAL . 94.7 mt -59.68 -49.41 77.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.523 0.515 . . . . 0.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.58 -44.68 93.26 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.46 0.475 . . . . 0.0 110.05 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.414 ' N ' HD22 ' B' ' 25' ' ' ASN . 0.9 OUTLIER -59.44 -42.24 91.47 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.497 0.498 . . . . 0.0 109.837 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.18 -52.93 63.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 23' ' ' LEU . 97.0 t -52.97 -46.51 53.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 123.747 0.654 . . . . 0.0 110.69 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.38 -58.16 6.32 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 123.662 0.601 . . . . 0.0 111.574 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' B' ' 29' ' ' ARG . 13.1 mmt180 -66.38 -38.73 88.19 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.743 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.53 -49.66 75.79 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.302 0.376 . . . . 0.0 111.037 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.411 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -67.17 -30.62 70.64 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -176.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -70.72 -38.15 73.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.298 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.39 -43.13 95.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 12.3 p -77.41 -29.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.719 0.295 . . . . 0.0 111.084 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.608 177.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t . . . . . 0 N--CA 1.451 -0.395 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.802 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.0 m -60.15 -48.14 82.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.274 176.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.72 -46.12 90.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.807 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.01 -48.35 81.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.005 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.63 76.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.599 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' SER . 97.5 t -63.2 -41.75 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.942 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.52 -46.73 88.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.977 0.418 . . . . 0.0 110.084 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.19 -37.0 84.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.152 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 53.8 tptt -63.45 -52.87 59.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.12 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -65.26 -31.38 53.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.853 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -62.5 -51.12 68.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -60.46 -39.72 88.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.674 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.6 mt -57.9 -58.17 9.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.957 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -64.57 -37.41 87.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.954 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.82 -44.95 88.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.722 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.51 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 tp60 -65.17 -39.52 93.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.272 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -64.5 -40.82 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.692 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 47.1 t80 -60.14 -44.21 95.12 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.308 0.575 . . . . 0.0 109.885 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.478 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 8.2 t-80 -66.08 -34.65 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.007 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 90.8 mt -69.11 -34.86 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.466 176.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 39.9 mt-10 -55.74 -57.35 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.698 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 22' ' ' HIS . 2.9 p-10 -66.81 -30.57 70.79 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.818 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -57.73 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.524 176.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 95.0 t -60.44 -41.06 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.701 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -58.28 -44.05 88.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -64.02 -45.15 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.16 -43.2 74.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.012 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 62.6 pttt -72.05 -26.42 62.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.907 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -71.58 -42.67 67.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.83 -45.2 94.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.784 HG11 HD11 ' B' ' 30' ' ' LEU . 8.1 p -79.15 -22.35 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 110.684 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.24 37.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.517 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 . . . . . 0 C--O 1.236 0.383 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 175.218 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 N--CA 1.448 -0.528 0 N-CA-C 110.784 -0.08 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . 0.466 ' O ' HG23 ' B' ' 9' ' ' VAL . 11.3 m -62.04 -49.9 74.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.481 0.488 . . . . 0.0 110.382 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.19 -59.76 3.62 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 124.038 0.836 . . . . 0.0 110.961 -175.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.09 -42.46 99.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.318 0.386 . . . . 0.0 110.838 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.84 82.26 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.446 0.466 . . . . 0.0 110.947 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 5' ' ' SER . 97.7 t -56.54 -45.38 82.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 123.534 0.522 . . . . 0.0 111.023 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -58.88 -52.07 67.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.487 0.492 . . . . 0.0 110.435 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.52 -32.97 73.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -64.23 -56.59 13.62 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.88 -26.68 30.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 O-C-N 123.047 0.217 . . . . 0.0 110.644 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -56.33 -52.99 62.51 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -56.64 -44.39 81.25 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.961 0.788 . . . . 0.0 110.294 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.1 -50.98 69.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 123.231 0.332 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.48 -55.25 33.92 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.395 0.435 . . . . 0.0 111.112 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.27 -32.47 74.14 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.383 0.427 . . . . 0.0 110.881 -172.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -53.57 -38.79 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.507 0.505 . . . . 0.0 110.668 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.48 -57.77 8.13 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.884 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -56.45 -42.0 77.42 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 123.684 0.615 . . . . 0.0 111.152 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -55.36 -49.04 73.31 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.602 0.564 . . . . 0.0 110.053 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.56 -51.76 39.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.546 0.529 . . . . 0.0 110.106 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.13 -48.68 67.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 123.818 0.699 . . . . 0.0 111.225 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 22.7 m-80 -64.2 -50.29 68.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.299 0.374 . . . . 0.0 110.678 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -68.22 -43.09 78.74 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.302 0.376 . . . . 0.0 110.821 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.54 -33.51 63.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.82 99.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 20.4 mmt85 -62.89 -51.51 66.7 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.784 HD11 HG11 ' A' ' 34' ' ' VAL . 53.4 tp -58.94 -49.57 77.32 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.655 0.597 . . . . 0.0 110.062 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -53.72 -50.82 65.1 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 124.073 0.858 . . . . 0.0 110.653 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -71.42 -38.85 71.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.259 0.35 . . . . 0.0 111.769 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.131 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.12 -19.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.164 0.507 . . . . 0.0 110.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.544 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.947 -172.959 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m . . . . . 0 C--O 1.232 0.18 0 CA-C-O 120.927 0.394 . . . . 0.0 110.568 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -64.18 -28.18 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.749 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 9' ' ' VAL . 45.8 m -68.0 -42.33 80.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.357 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.88 -43.48 92.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.949 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.84 97.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 5' ' ' SER . 74.9 t -62.91 -47.4 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -56.46 -45.64 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 110.219 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -51.35 69.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.191 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.0 ttmt -63.74 -49.37 73.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.672 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -62.52 -36.97 77.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.318 -175.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -72.02 -37.05 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -67.13 -37.39 83.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.919 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 81.3 mt -67.57 -38.4 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.44 -44.44 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 15.6 tp10 -57.27 -54.76 43.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.843 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -57.37 -42.52 82.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.371 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -69.22 -55.71 9.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.217 -178.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.82 -44.27 81.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.506 0.669 . . . . 0.0 110.334 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.7 t60 -61.1 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.274 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.526 HD11 HG21 ' B' ' 27' ' ' VAL . 35.7 tp -74.44 -37.42 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.35 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 48.1 mt-10 -58.21 -48.36 80.6 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.22 -44.0 96.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.03 -57.12 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.306 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 p -61.72 -35.92 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.856 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . -59.83 -48.15 82.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -76.43 -26.65 55.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.166 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.1 -53.18 49.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.832 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HA ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.89 -20.8 62.47 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.473 179.151 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.62 -43.32 89.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.018 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.1 -52.47 12.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.541 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 31' ' ' LYS . 11.8 p -73.43 -29.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.39 -41.36 7.43 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.522 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 . . . . . 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 0.0 111.258 -178.808 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.9 p . . . . . 0 C--O 1.21 -0.997 0 N-CA-C 110.467 -0.198 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -81.82 -58.69 2.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.069 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 tp -56.2 -53.77 53.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.94 0.496 . . . . 0.0 111.529 -170.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.6 -32.19 71.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 123.072 0.233 . . . . 0.0 110.543 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.56 33.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.517 ' O ' HG12 ' B' ' 13' ' ' ILE . 89.6 t -57.91 -47.98 85.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 123.657 0.598 . . . . 0.0 109.865 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -48.98 -55.39 12.04 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.955 0.784 . . . . 0.0 110.178 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.5 -46.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.473 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.38 -58.55 4.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.214 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 9' ' ' VAL . 37.2 pt -61.66 -35.54 67.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 O-C-N 122.992 0.183 . . . . 0.0 111.032 -172.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.28 -47.02 86.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -62.1 -42.8 99.59 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 123.558 0.536 . . . . 0.0 110.143 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 98.3 mt -57.05 -48.24 79.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 123.568 0.542 . . . . 0.0 110.461 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.25 -47.44 84.38 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.522 0.514 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.4 56.5 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.86 0.725 . . . . 0.0 109.866 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.33 -46.52 89.63 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 10.4 m-80 -56.57 -47.37 79.66 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.326 0.391 . . . . 0.0 110.811 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.07 -41.13 96.05 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -62.24 -51.09 69.15 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.917 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.8 -52.9 54.97 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.828 0.705 . . . . 0.0 111.171 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 46.3 mt-10 -51.12 -52.35 44.61 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.92 0.762 . . . . 0.0 111.239 -175.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -71.62 -33.47 68.99 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.397 0.436 . . . . 0.0 110.75 -173.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.83 -50.5 20.1 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 23' ' ' LEU . 9.9 p -64.8 -25.82 38.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.18 93.61 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.68 -43.89 69.27 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.699 0.624 . . . . 0.0 110.628 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 27' ' ' VAL . 8.3 mp -58.95 -61.45 2.62 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 123.517 0.511 . . . . 0.0 110.487 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.617 ' HA ' HG12 ' B' ' 34' ' ' VAL . 52.7 pttt -69.53 -25.04 63.83 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.627 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.53 -44.5 62.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.845 0.355 . . . . 0.0 110.477 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -69.49 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' B' ' 31' ' ' LYS . 9.0 p -82.12 -19.5 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.513 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.588 177.059 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m . . . . . 0 C--O 1.234 0.246 0 CA-C-O 121.147 0.499 . . . . 0.0 110.726 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -68.27 -29.27 68.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -62.01 -47.57 84.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.385 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.47 -46.37 90.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.71 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.14 -50.11 72.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.755 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.64 88.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.17 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 5' ' ' SER . 78.4 t -64.83 -53.84 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 111.048 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HD2' HH11 ' A' ' 10' ' ' ARG . 0.4 OUTLIER -64.42 -37.57 88.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.422 0.629 . . . . 0.0 109.807 -178.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -61.14 -49.15 78.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.704 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.788 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -64.13 -48.48 75.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.166 -177.248 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -62.32 -39.47 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.023 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.52 -45.19 94.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 110.41 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -61.28 -47.03 87.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.501 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.725 HD13 HD13 ' B' ' 16' ' ' LEU . 95.8 mt -63.87 -47.74 79.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -54.96 -53.64 53.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.88 -43.97 97.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.311 0.382 . . . . 0.0 110.849 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.551 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 tp-100 -62.36 -43.63 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.416 ' N ' HD22 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -63.95 -44.97 91.2 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 0.0 109.782 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.07 -41.96 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.495 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 85.8 mt -57.11 -53.72 54.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.865 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HA ' HG12 ' A' ' 27' ' ' VAL . 7.7 mm-40 -62.9 -40.59 98.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.778 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 22.0 m-80 -64.92 -44.67 88.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 110.609 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.31 -40.38 70.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.027 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 7.8 p -68.57 -30.69 48.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -61.63 -43.19 99.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 2.8 mpt_? -56.57 -50.12 72.86 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.09 -54.7 44.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.687 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HA ' HG12 ' A' ' 34' ' ' VAL . 62.5 pttt -71.68 -25.11 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.622 -175.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 42.8 tptt -80.5 -22.21 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 tp -76.77 -39.13 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.439 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 31' ' ' LYS . 8.9 p -84.48 -35.14 10.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.835 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.33 -48.97 7.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 . . . . . 0 C--O 1.233 0.211 0 C-N-CA 122.625 0.37 . . . . 0.0 110.815 -179.88 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m . . . . . 0 N--CA 1.441 -0.917 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.6 -35.77 81.62 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.713 0.633 . . . . 0.0 110.271 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.86 -46.4 67.83 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.79 0.681 . . . . 0.0 109.694 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -54.72 -52.62 61.91 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.575 0.547 . . . . 0.0 110.446 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.98 68.89 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.572 0.545 . . . . 0.0 110.385 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . 0.425 ' O ' HG12 ' B' ' 13' ' ' ILE . 85.7 t -57.61 -43.73 83.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 123.582 0.551 . . . . 0.0 110.336 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 10' ' ' ARG . 44.7 ttm180 -50.63 -61.74 2.02 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 123.797 0.686 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -67.49 -34.3 76.85 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . 0.799 ' HA ' ' HE3' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -57.35 -59.77 4.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.378 0.424 . . . . 0.0 110.396 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.552 ' HA ' HD12 ' B' ' 16' ' ' LEU . 38.2 pt -65.3 -35.04 74.42 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 123.203 0.314 . . . . 0.0 110.661 -174.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -69.56 -40.68 76.63 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m -61.17 -42.26 98.24 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . 0.725 HD13 HD13 ' A' ' 16' ' ' LEU . 84.1 mt -55.59 -49.6 72.31 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 123.506 0.504 . . . . 0.0 109.763 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 75.4 mt-30 -53.16 -53.32 52.2 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.443 0.464 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -61.29 2.27 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.755 0.659 . . . . 0.0 109.839 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.77 -40.03 75.13 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 123.504 0.502 . . . . 0.0 111.927 -172.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.456 HD22 ' N ' ' B' ' 20' ' ' ASN . 0.9 OUTLIER -65.04 -52.37 56.31 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.62 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.14 -41.99 93.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -56.29 -59.72 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.0 -31.92 69.84 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 123.332 0.395 . . . . 0.0 110.871 -174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.52 -48.53 81.31 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 30.9 m-80 -68.59 -39.69 80.83 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -52.33 -59.53 4.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 123.818 0.699 . . . . 0.0 110.48 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.94 -36.05 74.02 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.04 83.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.255 0.347 . . . . 0.0 110.582 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 28.6 mmm180 -62.23 -37.43 85.35 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.6 tp -70.31 -46.01 65.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.581 0.551 . . . . 0.0 110.638 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.17 63.95 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -73.0 -27.5 61.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.439 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.73 -43.4 93.5 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.085 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.67 -37.07 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.452 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.718 177.319 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.233 0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -69.37 -46.09 67.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.459 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -53.82 -50.43 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.034 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.66 -46.21 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.445 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.006 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -54.67 41.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.412 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 13' ' ' ILE . 58.6 t -63.69 -37.56 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.227 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.88 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -67.01 -35.53 80.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.545 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -61.95 -55.21 31.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.733 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.2 pt -66.01 -33.21 62.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.215 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -62.07 -43.33 99.06 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.813 0.34 . . . . 0.0 110.292 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 m -65.66 -40.42 92.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.408 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.78 -43.13 97.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.45 -45.69 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.702 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.62 -45.47 91.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.9 tt0 -58.2 -48.1 81.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.412 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -54.83 -48.12 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.359 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.64 -46.53 84.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.032 0.444 . . . . 0.0 110.514 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 20.1 t-80 -71.31 -32.5 68.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.136 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 72.3 mt -67.95 -40.84 83.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.576 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.24 -46.05 85.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.861 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.59 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 18.2 p30 -75.44 -19.68 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.576 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 4.3 tp10 -66.3 -56.78 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.5 -33.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.226 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.12 99.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.702 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 1.4 mpt_? -58.16 -52.84 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' B' ' 30' ' ' LEU . 11.2 mp -60.89 -45.61 93.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.881 -176.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 34' ' ' VAL . 59.8 pttt -74.64 -23.27 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.246 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -80.82 -27.0 36.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.348 0.594 . . . . 0.0 109.793 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -51.52 12.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.82 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 31' ' ' LYS . 12.2 p -75.52 -27.36 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.07 0.462 . . . . 0.0 110.71 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.28 -22.02 76.77 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.001 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 . . . . . 0 C--O 1.233 0.199 0 O-C-N 124.054 0.502 . . . . 0.0 110.385 179.538 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.7 m . . . . . 0 N--CA 1.441 -0.878 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -66.63 -23.0 66.11 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 123.643 0.589 . . . . 0.0 109.914 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . 0.405 ' HG ' ' NH2' ' B' ' 10' ' ' ARG . 42.7 tp -85.57 -62.2 1.58 Allowed 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -55.66 -63.08 1.29 Allowed 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.845 0.716 . . . . 0.0 111.875 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.73 55.03 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.629 0.58 . . . . 0.0 111.517 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.3 -41.89 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 123.395 0.434 . . . . 0.0 110.393 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.405 ' NH2' ' HG ' ' B' ' 6' ' ' LEU . 32.3 ttm180 -57.02 -50.75 71.78 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -57.54 -40.99 80.05 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 123.482 0.489 . . . . 0.0 110.283 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -66.82 -52.48 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.732 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.91 -30.31 49.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.66 -45.82 92.66 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -57.85 -39.04 76.79 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 123.543 0.527 . . . . 0.0 109.842 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.22 -49.22 76.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.421 0.451 . . . . 0.0 109.929 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' B' ' 20' ' ' ASN . 76.7 mt-30 -59.73 -49.11 79.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.301 0.376 . . . . 0.0 111.191 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 -28.0 65.78 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . 0.466 HE21 ' HG ' ' B' ' 23' ' ' LEU . 22.9 tp60 -66.12 -35.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.9 OUTLIER -52.45 -68.6 0.16 Allowed 'General case' 0 CA--C 1.515 -0.385 0 O-C-N 124.167 0.917 . . . . 0.0 110.718 179.542 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -54.22 -38.54 65.8 Favored 'General case' 0 C--O 1.212 -0.899 0 O-C-N 123.868 0.73 . . . . 0.0 110.721 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -60.98 -54.53 43.84 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.689 0.618 . . . . 0.0 109.84 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.466 ' HG ' HE21 ' B' ' 19' ' ' GLN . 93.2 mt -64.76 -38.83 92.32 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.492 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.25 -38.1 82.42 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.96 -45.49 81.57 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 123.628 0.58 . . . . 0.0 109.765 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -44.48 42.73 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 123.943 0.777 . . . . 0.0 110.827 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -55.62 -57.87 6.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.36 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.823 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -43.03 99.01 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 123.289 0.368 . . . . 0.0 110.29 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -50.53 -42.98 55.8 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 124.349 1.031 . . . . 0.0 110.247 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 30' ' ' LEU . 6.7 tt -85.33 -51.44 6.57 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.705 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 64.1 pttt -57.72 -40.46 79.65 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.201 0.313 . . . . 0.0 111.54 -170.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.61 -33.44 72.77 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.949 0.405 . . . . 0.0 110.85 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.6 tm? -82.63 -42.7 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.229 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.2 p -68.73 -24.02 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.566 175.383 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p . . . . . 0 N--CA 1.452 -0.349 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 t -54.11 -54.07 44.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.782 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -57.55 -52.21 66.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.14 -47.33 85.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.23 -40.5 90.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' LYS . . . -62.13 -51.26 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.449 -177.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.51 -33.4 56.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.718 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -62.33 -57.89 9.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.132 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -67.41 -24.43 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.542 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 tppt? -59.63 -59.71 5.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.85 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.79 -29.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.06 -50.31 73.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.753 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.56 -41.62 92.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 94.1 mt -62.32 -49.32 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.564 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.27 -45.56 87.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.501 0.191 . . . . 0.0 110.982 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -59.27 -50.3 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.645 HE21 ' HG ' ' A' ' 23' ' ' LEU . 19.4 tp60 -61.86 -44.33 97.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -59.53 -51.61 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.316 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.47 -39.05 88.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.694 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.02 -48.91 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.645 ' HG ' HE21 ' A' ' 19' ' ' GLN . 86.9 mt -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -51.96 60.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.889 0.376 . . . . 0.0 110.522 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.66 -38.82 87.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.491 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.28 -45.52 80.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 111.261 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.32 -38.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.361 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -42.14 99.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.831 176.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.19 -51.26 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.534 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.68 -31.17 71.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 -177.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . 0.538 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 20.7 tptm -71.33 -42.01 69.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.41 -46.38 90.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.071 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 31' ' ' LYS . 14.5 p -70.03 -27.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 0.0 110.672 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.85 -19.49 78.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.262 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 . . . . . 0 C--N 1.325 -0.486 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -176.506 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.443 -0.787 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -33.64 76.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.474 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.93 -63.94 1.04 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.58 0.55 . . . . 0.0 110.595 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.04 -41.3 78.4 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.555 0.534 . . . . 0.0 110.753 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.98 10.05 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.528 0.518 . . . . 0.0 110.464 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.44 -41.49 88.78 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 123.288 0.367 . . . . 0.0 110.374 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -58.64 -49.63 76.81 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.335 0.397 . . . . 0.0 109.95 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.95 -40.03 95.5 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -62.53 -52.03 65.04 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.761 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.39 -27.88 38.4 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -62.98 -49.13 75.91 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -54.54 -40.07 68.3 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.842 0.714 . . . . 0.0 110.459 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.5 -60.55 3.49 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 123.522 0.514 . . . . 0.0 110.416 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -63.55 -37.46 87.42 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.555 0.534 . . . . 0.0 109.824 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -55.54 -52.19 64.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 123.937 0.773 . . . . 0.0 110.212 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.05 -37.89 66.69 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.931 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -51.93 65.67 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.492 0.495 . . . . 0.0 111.056 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.19 -45.34 83.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -61.69 -51.45 68.35 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.329 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.48 -52.46 64.64 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.687 0.617 . . . . 0.0 110.631 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.55 -42.62 71.16 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.569 0.543 . . . . 0.0 110.905 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 29.9 m-80 -73.5 -43.85 59.14 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.03 -54.2 49.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.697 0.623 . . . . 0.0 110.757 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 11.7 p -58.66 -38.92 74.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.25 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 1.025 ' HA ' ' HE3' ' B' ' 31' ' ' LYS . . . -59.36 -46.55 88.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.286 0.366 . . . . 0.0 110.308 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 86.7 mtt180 -58.81 -55.05 40.15 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 123.98 0.8 . . . . 0.0 109.814 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.17 -65.93 0.49 Allowed 'General case' 0 C--O 1.222 -0.388 0 O-C-N 123.949 0.781 . . . . 0.0 112.159 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 1.025 ' HE3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -61.77 -30.8 71.04 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 34.1 ttpt -71.21 -37.82 72.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.598 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.3 tm? -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.465 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.86 -26.0 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 111.209 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.515 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.101 178.743 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m . . . . . 0 N--CA 1.453 -0.279 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 m -63.31 -41.89 98.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -66.34 -35.02 79.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.232 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.09 -52.49 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.246 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.6 -33.42 75.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.178 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -53.11 53.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.961 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 13' ' ' ILE . 87.7 t -66.44 -40.92 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HD3' ' C ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -59.15 -49.98 75.78 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -178.254 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -60.08 -45.72 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.149 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.98 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.291 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 36.5 pt -64.94 -35.28 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.564 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -69.42 -37.77 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.352 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 t -63.51 -36.28 83.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.86 -41.85 99.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.665 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 73.6 mt-30 -59.55 -48.78 80.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 176.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.136 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -59.64 -40.48 87.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.644 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -58.54 7.96 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.523 175.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -58.03 -37.55 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -60.66 -50.28 74.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.861 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.24 -45.13 77.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.14 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 46.8 mt-10 -53.53 -55.89 21.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 -178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.26 -40.69 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.205 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.49 -48.34 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.437 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.54 -30.93 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.92 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -64.28 -43.18 95.61 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -66.97 -39.55 87.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' B' ' 31' ' ' LYS . 4.8 tt -66.0 -51.67 56.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.444 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.92 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 63.4 pttt -63.87 -34.39 77.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.008 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -69.08 -33.51 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.21 -40.21 38.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.511 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 31' ' ' LYS . 14.8 p -70.79 -30.0 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.22 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -62.85 3.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.704 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 . . . . . 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.461 . . . . 0.0 110.504 178.979 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.2 m . . . . . 0 N--CA 1.448 -0.563 0 N-CA-C 110.068 -0.345 . . . . 0.0 110.068 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -68.74 -35.63 77.35 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 57.6 tp -60.63 -62.07 2.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.588 -175.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.76 -41.92 95.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 123.359 0.412 . . . . 0.0 110.447 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -57.81 8.16 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 123.937 0.773 . . . . 0.0 111.02 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.77 -41.12 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -52.94 -47.66 67.89 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.253 0.621 . . . . 0.0 110.912 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -68.24 -53.95 21.1 Favored 'General case' 0 N--CA 1.444 -0.757 0 O-C-N 123.233 0.333 . . . . 0.0 110.741 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -67.73 -38.0 82.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.787 -168.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 17' ' ' GLN . 2.8 pp -65.82 -30.04 48.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 CA-C-N 117.98 0.354 . . . . 0.0 110.638 -175.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -65.79 -42.4 90.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -63.22 -41.76 99.16 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.025 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.98 -37.26 86.42 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.566 0.541 . . . . 0.0 110.847 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 95.2 mt-30 -59.84 -52.36 65.76 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.23 -42.64 99.49 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -54.76 -45.92 74.29 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.642 0.589 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.37 -53.18 59.92 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 123.454 0.471 . . . . 0.0 110.506 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.48 -36.44 83.76 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 123.292 0.37 . . . . 0.0 110.21 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -42.46 78.87 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.429 0.455 . . . . 0.0 109.924 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.6 -45.63 64.94 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.67 -48.39 77.72 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 123.79 0.681 . . . . 0.0 110.117 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -58.07 -50.32 73.88 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.294 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -49.79 70.53 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.44 0.463 . . . . 0.0 111.229 -176.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.86 -38.26 75.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 31' ' ' LYS . . . -63.81 -49.74 71.7 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 123.305 0.378 . . . . 0.0 110.013 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -60.99 -47.58 85.8 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.546 0.529 . . . . 0.0 109.735 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.525 ' HB3' HD22 ' A' ' 30' ' ' LEU . 9.1 mp -63.9 -45.81 87.66 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.54 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.577 ' HA ' HG12 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -66.35 -32.51 73.94 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 5.9 tmtm? -70.34 -29.19 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 0.0 110.173 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -77.1 -44.64 29.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.8 p -69.18 -19.88 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.082 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.382 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.104 176.529 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.235 0.304 0 CA-C-O 120.809 0.338 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -56.61 -40.26 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.261 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -63.34 -43.32 98.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.873 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.69 -45.74 74.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.912 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -63.08 -39.54 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.526 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.56 77.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.897 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 13' ' ' ILE . 85.5 t -61.47 -50.25 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.237 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -54.43 -45.39 73.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -58.68 -49.36 77.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.973 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.737 ' HE3' ' HA ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.84 -41.9 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -175.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.6 pt -68.84 -34.55 65.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.657 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -63.19 -48.61 77.63 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . 0.53 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 24.4 t -53.44 -47.78 69.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.816 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.5 mt -62.7 -51.82 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.246 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 44.3 mt-30 -67.1 -41.99 85.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.418 -175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -68.04 -34.39 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . 0.522 HE21 ' HG ' ' A' ' 23' ' ' LEU . 25.6 tp60 -65.74 -45.79 81.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -62.04 -35.53 78.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.651 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.68 -50.64 71.67 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.095 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -62.86 -48.36 79.36 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.804 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.522 ' HG ' HE21 ' A' ' 19' ' ' GLN . 86.5 mt -60.43 -34.72 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.417 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.38 -47.54 78.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.24 -38.66 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.467 0.651 . . . . 0.0 110.139 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.45 -51.99 65.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.772 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.55 -28.55 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.4 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.683 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -60.32 -44.43 95.47 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.11 0.481 . . . . 0.0 110.185 175.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -63.57 -42.61 98.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.548 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.94 -46.71 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.855 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 65.7 pttt -68.67 -29.29 67.72 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.43 -26.78 46.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 0.0 109.875 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.7 tp -71.63 -50.73 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.739 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.46 -33.64 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.87 -74.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.077 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 . . . . . 0 CA--C 1.538 0.517 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.805 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 33.7 t . . . . . 0 N--CA 1.444 -0.754 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -71.8 -36.61 70.33 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.919 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -52.58 -57.26 10.56 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.769 0.668 . . . . 0.0 109.772 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.99 -54.35 39.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.583 0.552 . . . . 0.0 110.371 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.73 11.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 123.779 0.675 . . . . 0.0 111.753 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.41 -54.46 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 123.238 0.337 . . . . 0.0 111.06 -172.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -60.34 -42.07 94.91 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.414 0.446 . . . . 0.0 110.547 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -62.43 -50.96 69.43 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -62.73 -49.09 76.43 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 pt -64.17 -35.28 73.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.528 -175.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -64.84 -50.07 68.09 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -50.79 -46.08 59.45 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.964 0.79 . . . . 0.0 110.506 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.13 -55.91 27.26 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.791 0.682 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.96 -45.28 67.74 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.389 0.431 . . . . 0.0 110.81 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.23 -46.06 88.7 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.373 0.421 . . . . 0.0 110.309 -174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -71.05 -26.99 63.32 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -54.25 48.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.44 -38.19 77.72 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -57.66 -47.72 81.48 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 123.411 0.444 . . . . 0.0 109.825 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.98 -33.54 70.79 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.594 0.559 . . . . 0.0 110.806 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.679 ' HA ' HG12 ' B' ' 27' ' ' VAL . 43.8 mt-10 -67.7 -23.82 65.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.57 -41.48 75.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -73.26 -59.1 2.87 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 123.44 0.463 . . . . 0.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.679 HG12 ' HA ' ' B' ' 24' ' ' GLU . 14.0 p -56.86 -36.79 50.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 123.535 0.522 . . . . 0.0 111.631 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.35 -48.9 68.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 123.404 0.44 . . . . 0.0 110.701 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -79.98 -39.92 29.08 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.49 -60.3 3.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 123.872 0.732 . . . . 0.0 110.699 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.8 71.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 123.082 0.239 . . . . 0.0 110.479 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.13 -31.82 44.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.418 -174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.25 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.585 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.97 -27.34 27.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.012 0.434 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.477 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 179.418 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 13.9 t . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 121.364 0.602 . . . . 0.0 110.356 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -87.22 -73.34 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -71.91 -33.62 68.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.98 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.79 -50.31 73.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.586 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . 0.512 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 5.8 tp10 -66.06 -38.72 89.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.222 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -58.16 -55.4 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.974 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.99 -45.64 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 67.4 ttt180 -53.52 -52.0 61.04 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.83 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -62.98 -43.05 99.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.766 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 59.0 mtpt -58.16 -61.06 2.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 14' ' ' ARG . 2.8 pp -67.89 -33.1 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -172.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 13' ' ' ILE . 6.6 tpt180 -75.74 -37.19 59.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.853 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 p -68.96 -39.09 79.69 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 92.7 mt -62.34 -45.77 91.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.276 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.24 -47.67 80.78 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.03 -54.28 47.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -55.56 -48.23 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.339 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -49.22 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -69.6 -42.91 73.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.319 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.13 -36.82 75.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.94 -41.1 95.6 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.1 -43.14 99.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.71 -44.77 73.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.605 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.53 -36.02 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -68.6 -39.06 81.06 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 121.012 0.434 . . . . 0.0 110.136 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.56 -45.43 91.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.343 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.55 -47.69 82.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.836 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HA ' HG12 ' A' ' 34' ' ' VAL . 56.4 pttt -74.66 -19.09 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.927 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.29 -46.47 67.12 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.196 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.761 HG12 ' HA ' ' A' ' 31' ' ' LYS . 8.6 p -80.12 -20.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.045 0.45 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.49 -43.41 37.34 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.834 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 . . . . . 0 C--N 1.323 -0.576 0 CA-C-O 120.943 0.401 . . . . 0.0 110.062 175.987 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 N--CA 1.442 -0.855 0 N-CA-C 110.78 -0.082 . . . . 0.0 110.78 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.2 -75.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.2 tp -47.59 -67.37 0.28 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.079 0.862 . . . . 0.0 112.874 -170.192 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.17 -37.91 87.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.336 0.397 . . . . 0.0 111.295 -169.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -55.93 28.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 123.509 0.506 . . . . 0.0 110.41 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.14 -38.83 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 O-C-N 123.454 0.471 . . . . 0.0 110.204 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . 0.4 ' O ' HG13 ' B' ' 13' ' ' ILE . 33.6 ttp180 -52.83 -50.25 64.08 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.834 0.709 . . . . 0.0 111.902 -174.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -71.61 -35.06 70.35 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 118.018 0.372 . . . . 0.0 110.291 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.27 -41.51 89.76 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.292 0.37 . . . . 0.0 110.671 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 10' ' ' ARG . 2.8 pp -70.7 -25.9 27.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -72.41 -34.06 67.59 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -55.43 -45.17 76.81 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.21 -44.18 97.17 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.134 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . 0.907 ' HA ' HE21 ' B' ' 17' ' ' GLN . 0.0 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.129 0.268 . . . . 0.0 110.448 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.18 -47.88 80.12 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.549 0.531 . . . . 0.0 109.78 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -55.23 -58.96 5.56 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.935 0.772 . . . . 0.0 110.294 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -54.16 -43.01 70.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.681 0.613 . . . . 0.0 110.88 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.99 -59.38 5.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.645 0.59 . . . . 0.0 110.677 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . 0.607 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 17.4 m-70 -67.35 -36.05 80.61 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 123.355 0.409 . . . . 0.0 111.044 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . 0.412 ' O ' HG12 ' B' ' 27' ' ' VAL . 4.6 tt -48.85 -54.6 14.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.874 0.734 . . . . 0.0 109.849 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.36 -57.49 10.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.449 0.468 . . . . 0.0 111.826 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . 0.607 ' OD1' ' HA ' ' B' ' 22' ' ' HIS . 2.3 p-10 -64.21 -38.57 91.52 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 117.853 0.297 . . . . 0.0 110.439 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . 0.593 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.1 tp10 -66.8 -51.22 58.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 23' ' ' LEU . 9.2 p -67.02 -35.63 75.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.988 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -59.1 -51.5 69.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.434 0.459 . . . . 0.0 109.841 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' B' ' 29' ' ' ARG . 36.6 ttt-85 -59.35 -53.78 54.33 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 123.755 0.659 . . . . 0.0 110.249 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.03 -56.45 16.01 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 123.88 0.737 . . . . 0.0 111.696 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.988 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 54.9 pttt -62.08 -39.25 91.81 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 123.411 0.444 . . . . 0.0 110.96 -173.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . 0.544 ' C ' ' HD3' ' B' ' 32' ' ' LYS . 13.5 tmtt? -74.99 -42.74 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.463 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.64 -44.7 96.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.886 -173.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.78 -35.26 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 111.527 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.508 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 -176.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 C--O 1.233 0.212 0 CA-C-O 120.589 0.233 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -66.18 -35.62 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.674 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -61.88 -50.3 72.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.9 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.675 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.17 -33.86 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.88 -45.28 93.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 109.91 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 13' ' ' ILE . 60.4 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.357 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -52.57 -52.34 55.54 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.384 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 11' ' ' ARG . 19.1 ttm-85 -62.78 -41.62 99.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 110.414 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 18.8 tptm -62.57 -55.1 30.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.108 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.5 pt -65.48 -38.0 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.337 -177.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -63.27 -47.86 80.59 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -59.57 -46.4 89.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.118 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 88.9 mt -62.25 -46.1 90.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.658 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 79.4 mt-30 -59.51 -44.27 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.023 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.57 -39.11 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.05 -47.51 84.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.276 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -59.16 -42.38 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.74 -46.65 88.49 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.968 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -60.67 -52.29 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.766 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.78 -45.16 86.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.15 -50.01 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.132 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASN . . . . . 0.588 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 39.2 m-80 -71.22 -37.12 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.023 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -66.86 -44.36 81.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.63 -30.89 48.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.93 99.86 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.39 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.588 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mpt_? -65.28 -42.59 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 176.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.98 -47.3 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.736 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 34' ' ' VAL . 55.5 pttt -63.99 -32.87 74.56 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.45 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.52 -43.92 88.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.08 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.02 -46.71 73.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.175 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 31' ' ' LYS . 13.5 p -73.2 -35.69 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.576 0.226 . . . . 0.0 111.521 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.19 -43.54 25.64 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.357 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.483 0.659 . . . . 0.0 111.802 -179.643 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.444 -0.739 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -58.39 -46.55 86.17 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.528 0.518 . . . . 0.0 110.721 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -50.03 -58.68 4.98 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 123.808 0.693 . . . . 0.0 111.015 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.3 -48.14 65.72 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 123.37 0.419 . . . . 0.0 110.538 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.0 62.21 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.672 0.607 . . . . 0.0 111.237 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.62 -54.71 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 O-C-N 123.357 0.411 . . . . 0.0 110.418 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -53.12 -47.55 68.56 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.449 0.468 . . . . 0.0 110.728 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -56.1 -42.33 76.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.745 0.653 . . . . 0.0 111.019 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -79.82 -48.22 13.9 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.498 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ILE . . . . . 0.414 HD12 ' N ' ' B' ' 14' ' ' ARG . 2.9 pp -66.75 -29.97 48.14 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 CA-C-O 119.62 -0.229 . . . . 0.0 111.27 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' ARG . . . . . 0.414 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.0 ptm180 -69.96 -28.99 66.01 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 46.9 t -71.95 -38.67 69.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.9 -45.21 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.51 -41.74 86.1 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.315 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.59 -53.19 60.89 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -56.58 -47.86 78.61 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 123.649 0.593 . . . . 0.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -55.3 34.55 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.478 0.487 . . . . 0.0 110.616 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.02 -50.97 71.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 123.852 0.72 . . . . 0.0 110.397 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.2 -50.32 73.95 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 123.806 0.691 . . . . 0.0 110.353 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.02 -53.92 52.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 123.455 0.472 . . . . 0.0 110.653 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' GLU . . . . . 0.492 ' HA ' HG12 ' B' ' 27' ' ' VAL . 37.1 tt0 -61.7 -43.78 98.2 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 123.513 0.508 . . . . 0.0 110.489 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.42 -49.73 76.42 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.575 0.547 . . . . 0.0 110.287 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -41.37 72.92 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' B' ' 24' ' ' GLU . 9.9 p -66.89 -32.7 59.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' ALA . . . . . 0.668 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -45.37 91.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -57.42 -48.25 79.62 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.364 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 34' ' ' VAL . 57.8 tp -61.51 -51.39 68.82 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.116 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.668 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 62.1 pttt -64.55 -33.38 75.77 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 123.277 0.361 . . . . 0.0 110.14 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.97 -42.0 70.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.671 0.272 . . . . 0.0 110.358 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.84 -50.69 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.634 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.78 -26.77 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.376 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.413 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.26 -179.268 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.685 0 N-CA-C 111.951 -0.46 . . . . 0.0 111.951 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -169.53 -52.9 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.265 0.555 . . . . 0.0 109.957 -178.415 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -171.09 162.21 34.99 Favored Glycine 0 N--CA 1.445 -0.741 0 N-CA-C 110.779 -0.929 . . . . 0.0 110.779 178.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.4 t -70.17 -46.8 63.91 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 117.029 0.415 . . . . 0.0 110.129 -177.052 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.3 p -63.84 -38.94 92.97 Favored 'General case' 0 N--CA 1.454 -0.264 0 CA-C-O 121.162 0.506 . . . . 0.0 110.729 178.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.5 t -68.06 -44.59 76.02 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.614 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 32.0 tp -67.21 -41.2 86.16 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.323 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 33.4 mm-40 -58.72 -47.63 83.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.387 -0.37 . . . . 0.0 110.923 175.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.73 -54.14 50.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.078 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -62.69 -51.92 66.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.203 -178.644 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 40.1 ttm180 -60.25 -49.96 75.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.451 -0.341 . . . . 0.0 111.459 -176.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 48.4 ttm-85 -67.15 -32.14 73.05 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-O 120.669 0.271 . . . . 0.0 110.685 -175.511 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 17.5 tppt? -66.41 -51.93 51.89 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.54 177.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.468 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 2.8 pp -72.04 -28.02 28.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 C-N-CA 120.977 -0.289 . . . . 0.0 111.571 -176.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 33.6 ttp180 -73.07 -39.91 65.49 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 109.903 -0.406 . . . . 0.0 109.903 177.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 12.8 t -66.93 -35.07 79.17 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.045 -0.525 . . . . 0.0 109.618 176.009 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 62.2 tp -59.76 -46.13 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.08 175.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 78.1 mt-30 -62.01 -38.42 88.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.65 178.046 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -61.69 -47.63 84.44 Favored 'General case' 0 C--N 1.329 -0.31 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 175.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 59.3 tt0 -56.65 -40.59 75.73 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.462 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -55.85 -58.37 8.15 Favored 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.491 179.663 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 92.3 m-85 -69.12 -35.38 76.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.98 -177.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 60.3 t60 -64.65 -50.97 64.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.537 179.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.0 tt -61.06 -39.94 91.76 Favored 'General case' 0 C--N 1.326 -0.419 0 N-CA-C 109.838 -0.431 . . . . 0.0 109.838 -178.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.1 tt0 -55.15 -53.19 59.09 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.593 179.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 45.2 m-80 -72.02 -31.8 66.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.085 -0.507 . . . . 0.0 111.101 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -62.45 -51.91 65.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.242 179.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.534 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 10.4 p -71.83 -27.57 28.1 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.715 -179.327 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.452 ' O ' ' HB2' ' A' ' 32' ' ' LYS . . . -61.32 -50.7 71.89 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 120.826 0.346 . . . . 0.0 110.251 176.044 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 35.4 ttp180 -65.78 -34.42 78.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.313 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.411 HD11 ' HB3' ' B' ' 31' ' ' LYS . 3.7 tt -59.57 -59.01 6.13 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.449 -0.796 . . . . 0.0 110.416 178.56 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.534 ' HG2' ' O ' ' A' ' 27' ' ' VAL . 61.5 pttt -71.39 -19.45 62.27 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.331 -177.06 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.452 ' HB2' ' O ' ' A' ' 28' ' ' ALA . 28.8 tptt -71.4 -41.31 69.76 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.46 -0.57 . . . . 0.0 109.46 174.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.518 HD12 ' HD3' ' A' ' 37' ' ' ARG . 66.4 tp -67.44 -52.12 43.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.273 -0.876 . . . . 0.0 111.602 -178.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' B' ' 34' ' ' VAL . 14.7 p -82.46 -26.99 8.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.491 -0.322 . . . . 0.0 111.603 -175.564 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -72.21 -61.86 3.53 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.904 -0.665 . . . . 0.0 112.657 -176.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 11.3 tp10 -145.26 114.57 7.09 Favored 'General case' 0 C--N 1.324 -0.506 0 N-CA-C 109.945 -0.391 . . . . 0.0 109.945 -177.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.518 ' HD3' HD12 ' A' ' 33' ' ' LEU . 13.5 tpt85 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.135 -0.936 . . . . 0.0 110.456 -175.338 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.656 0 N-CA-C 111.919 -0.472 . . . . 0.0 111.919 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 65.31 32.95 9.47 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-O 121.055 0.455 . . . . 0.0 111.059 178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -83.17 -172.76 49.08 Favored Glycine 0 N--CA 1.448 -0.565 0 C-N-CA 120.613 -0.804 . . . . 0.0 112.014 178.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 6.6 p -64.79 -22.02 66.9 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 120.928 0.394 . . . . 0.0 111.004 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.5 m -66.21 -33.33 75.51 Favored 'General case' 0 C--O 1.211 -0.971 0 CA-C-N 115.744 -0.662 . . . . 0.0 109.777 177.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 12.8 m -85.03 -49.68 8.1 Favored 'General case' 0 N--CA 1.439 -1.006 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.101 -176.599 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -52.08 -74.93 0.03 OUTLIER 'General case' 0 C--O 1.223 -0.313 0 O-C-N 123.999 0.812 . . . . 0.0 112.717 -171.623 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -62.4 -47.06 85.8 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.311 0.382 . . . . 0.0 111.166 -170.118 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -47.94 -55.03 10.89 Favored 'General case' 0 C--O 1.22 -0.499 0 O-C-N 123.756 0.66 . . . . 0.0 111.594 -177.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 61.6 t -73.84 -46.29 47.17 Favored 'Isoleucine or valine' 0 N--CA 1.446 -0.673 0 O-C-N 123.203 0.314 . . . . 0.0 110.246 -176.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.442 ' C ' ' HD3' ' B' ' 10' ' ' ARG . 2.7 tmt_? -57.68 -47.92 80.96 Favored 'General case' 0 C--O 1.214 -0.809 0 O-C-N 123.539 0.524 . . . . 0.0 110.762 -174.332 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -53.72 -47.88 70.13 Favored 'General case' 0 C--O 1.22 -0.493 0 O-C-N 123.222 0.326 . . . . 0.0 110.384 -178.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.521 ' O ' ' HG ' ' B' ' 16' ' ' LEU . 51.1 mtpt -63.0 -56.64 15.3 Favored 'General case' 0 N--CA 1.447 -0.593 0 O-C-N 123.416 0.447 . . . . 0.0 110.745 -176.273 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -64.53 -27.43 42.57 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.927 0 O-C-N 123.094 0.246 . . . . 0.0 110.632 -174.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 14' ' ' ARG . 1.2 tmm_? -63.27 -55.03 28.19 Favored 'General case' 0 N--CA 1.447 -0.596 0 N-CA-C 108.542 -0.911 . . . . 0.0 108.542 176.37 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 23.8 m -64.98 -39.1 92.97 Favored 'General case' 0 N--CA 1.441 -0.919 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.649 -175.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.521 ' HG ' ' O ' ' B' ' 12' ' ' LYS . 94.6 mt -55.04 -47.98 74.05 Favored 'General case' 0 C--O 1.219 -0.51 0 O-C-N 123.397 0.435 . . . . 0.0 110.142 179.575 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 48.8 mt-30 -60.65 -51.81 67.82 Favored 'General case' 0 C--O 1.214 -0.787 0 O-C-N 123.556 0.535 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 1.3 tm-20 -56.83 -49.28 75.9 Favored 'General case' 0 N--CA 1.451 -0.419 0 O-C-N 123.779 0.675 . . . . 0.0 110.447 -177.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.434 ' O ' ' HG ' ' B' ' 23' ' ' LEU . 23.1 tp60 -55.15 -58.66 6.76 Favored 'General case' 0 N--CA 1.452 -0.369 0 O-C-N 123.642 0.589 . . . . 0.0 110.756 -179.391 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 41.2 m-80 -70.97 -25.31 62.66 Favored 'General case' 0 C--O 1.209 -1.063 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.828 -172.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 88.3 t80 -59.89 -51.69 68.61 Favored 'General case' 0 N--CA 1.447 -0.619 0 N-CA-C 109.244 -0.65 . . . . 0.0 109.244 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 27.9 m80 -61.87 -40.86 96.87 Favored 'General case' 0 N--CA 1.446 -0.656 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.009 179.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.506 ' O ' HG23 ' B' ' 27' ' ' VAL . 94.7 mt -59.68 -49.41 77.86 Favored 'General case' 0 C--O 1.214 -0.781 0 O-C-N 123.523 0.515 . . . . 0.0 110.186 179.352 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -59.58 -44.68 93.26 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.46 0.475 . . . . 0.0 110.05 -179.433 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.414 ' N ' HD22 ' B' ' 25' ' ' ASN . 0.9 OUTLIER -59.44 -42.24 91.47 Favored 'General case' 0 C--O 1.217 -0.654 0 O-C-N 123.497 0.498 . . . . 0.0 109.837 -179.76 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -60.18 -52.93 63.22 Favored 'General case' 0 N--CA 1.447 -0.598 0 N-CA-C 109.513 -0.551 . . . . 0.0 109.513 177.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.506 HG23 ' O ' ' B' ' 23' ' ' LEU . 97.0 t -52.97 -46.51 53.53 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.755 0 O-C-N 123.747 0.654 . . . . 0.0 110.69 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -50.38 -58.16 6.32 Favored 'General case' 0 C--O 1.22 -0.497 0 O-C-N 123.662 0.601 . . . . 0.0 111.574 -176.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.448 ' HA ' ' HD3' ' B' ' 29' ' ' ARG . 13.1 mmt180 -66.38 -38.73 88.19 Favored 'General case' 0 N--CA 1.443 -0.825 0 CA-C-O 119.665 -0.207 . . . . 0.0 110.743 -177.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.6 mp -61.53 -49.66 75.79 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.302 0.376 . . . . 0.0 111.037 -178.679 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.411 ' HB3' HD11 ' A' ' 30' ' ' LEU . 0.0 OUTLIER -67.17 -30.62 70.64 Favored 'General case' 0 C--O 1.214 -0.805 0 N-CA-C 110.07 -0.344 . . . . 0.0 110.07 -176.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 64.8 tttp -70.72 -38.15 73.56 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-O 120.764 0.316 . . . . 0.0 110.298 176.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 50.0 tp -64.39 -43.13 95.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.246 -178.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.465 ' HB ' ' HB ' ' A' ' 34' ' ' VAL . 12.3 p -77.41 -29.68 16.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-O 120.719 0.295 . . . . 0.0 111.084 -179.201 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -74.63 -54.09 6.18 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.608 177.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 41.0 tt0 -83.47 80.48 9.08 Favored 'General case' 0 C--N 1.322 -0.606 0 N-CA-C 109.06 -0.719 . . . . 0.0 109.06 177.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 27.0 ttt180 . . . . . 0 C--O 1.25 1.132 0 CA-C-N 115.286 -0.87 . . . . 0.0 109.9 -174.326 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.691 0 N-CA-C 111.896 -0.482 . . . . 0.0 111.896 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -105.45 -172.78 2.16 Favored 'General case' 0 C--N 1.321 -0.648 0 N-CA-C 110.322 -0.251 . . . . 0.0 110.322 -178.191 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -78.85 56.88 4.28 Favored Glycine 0 N--CA 1.448 -0.525 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.82 176.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.9 t -80.38 -48.44 12.92 Favored 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.59 -0.522 . . . . 0.0 109.59 -178.747 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.7 t -64.34 -37.13 86.42 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.781 -0.645 . . . . 0.0 109.802 177.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' HG23 ' A' ' 9' ' ' VAL . 16.0 m -60.15 -48.14 82.96 Favored 'General case' 0 C--N 1.332 -0.176 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.274 176.443 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.2 tp -59.72 -46.12 90.09 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.807 -179.486 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 3.5 tm-20 -59.01 -48.35 81.92 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 115.821 -0.627 . . . . 0.0 110.005 179.362 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.63 76.17 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 115.646 -0.707 . . . . 0.0 111.599 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.404 HG23 ' O ' ' A' ' 5' ' ' SER . 97.5 t -63.2 -41.75 93.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.789 0.328 . . . . 0.0 110.942 -178.574 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.1 tmm_? -59.52 -46.73 88.02 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.977 0.418 . . . . 0.0 110.084 178.016 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 47.4 ttp180 -66.19 -37.0 84.53 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.152 179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.479 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 53.8 tptt -63.45 -52.87 59.63 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.705 -0.68 . . . . 0.0 111.12 -178.912 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -65.26 -31.38 53.63 Favored 'Isoleucine or valine' 0 C--O 1.235 0.339 0 C-N-CA 120.822 -0.351 . . . . 0.0 110.853 -178.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 47.8 ttt-85 -62.5 -51.12 68.71 Favored 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.51 -0.552 . . . . 0.0 109.51 173.202 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 29.9 t -60.46 -39.72 88.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.353 -0.839 . . . . 0.0 110.674 -179.158 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.479 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 93.6 mt -57.9 -58.17 9.58 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.957 178.728 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -64.57 -37.41 87.45 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.954 -177.126 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 -64.82 -44.95 88.19 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.852 0.358 . . . . 0.0 110.722 178.573 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.51 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 24.3 tp60 -65.17 -39.52 93.04 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.272 178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -64.5 -40.82 96.37 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.692 179.122 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.433 ' O ' ' HB2' ' A' ' 24' ' ' GLU . 47.1 t80 -60.14 -44.21 95.12 Favored 'General case' 0 C--O 1.239 0.501 0 CA-C-O 121.308 0.575 . . . . 0.0 109.885 176.285 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.478 ' HA ' ' OD1' ' A' ' 25' ' ' ASN . 8.2 t-80 -66.08 -34.65 78.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.308 -0.86 . . . . 0.0 110.007 178.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 90.8 mt -69.11 -34.86 75.74 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.466 176.368 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.433 ' HB2' ' O ' ' A' ' 21' ' ' TYR . 39.9 mt-10 -55.74 -57.35 12.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.414 -0.357 . . . . 0.0 110.698 176.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.478 ' OD1' ' HA ' ' A' ' 22' ' ' HIS . 2.9 p-10 -66.81 -30.57 70.79 Favored 'General case' 0 C--O 1.233 0.216 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.818 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -60.99 -57.73 11.42 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.762 0.315 . . . . 0.0 110.524 176.016 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.451 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 95.0 t -60.44 -41.06 86.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.377 -179.747 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.701 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -58.28 -44.05 88.29 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.974 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 25.1 tpp180 -64.02 -45.15 90.22 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.603 179.015 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.3 mp -69.16 -43.2 74.78 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.051 -0.522 . . . . 0.0 112.012 -176.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.701 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 62.6 pttt -72.05 -26.42 62.18 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.706 -0.398 . . . . 0.0 110.907 -178.512 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 57.9 tptt -71.58 -42.67 67.47 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 172.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.83 -45.2 94.87 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.583 -0.735 . . . . 0.0 111.225 179.431 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.784 HG11 HD11 ' B' ' 30' ' ' LEU . 8.1 p -79.15 -22.35 12.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.231 0 CA-C-O 120.859 0.362 . . . . 0.0 110.684 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.62 -51.24 37.4 Favored Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.905 -0.664 . . . . 0.0 111.517 177.236 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 9.9 mm-40 64.91 177.4 0.19 Allowed 'General case' 0 C--O 1.236 0.383 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 175.218 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 88.6 mtt180 . . . . . 0 C--O 1.251 1.17 0 CA-C-N 114.471 -1.241 . . . . 0.0 111.899 175.627 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.65 0 N-CA-C 111.978 -0.449 . . . . 0.0 111.978 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -118.52 102.72 9.11 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-O 120.813 0.339 . . . . 0.0 110.244 179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -103.47 -154.94 24.3 Favored Glycine 0 N--CA 1.449 -0.499 0 C-N-CA 120.682 -0.77 . . . . 0.0 112.512 -177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 3.1 p -101.19 47.2 0.92 Allowed 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 120.968 0.413 . . . . 0.0 111.07 -178.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.2 m -55.95 -61.51 2.32 Favored 'General case' 0 N--CA 1.448 -0.528 0 CA-C-N 115.662 -0.699 . . . . 0.0 110.784 -178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . 0.466 ' O ' HG23 ' B' ' 9' ' ' VAL . 11.3 m -62.04 -49.9 74.17 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.481 0.488 . . . . 0.0 110.382 -177.533 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.0 tt -50.19 -59.76 3.62 Favored 'General case' 0 C--O 1.221 -0.447 0 O-C-N 124.038 0.836 . . . . 0.0 110.961 -175.154 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -63.09 -42.46 99.61 Favored 'General case' 0 N--CA 1.445 -0.687 0 O-C-N 123.318 0.386 . . . . 0.0 110.838 -174.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.23 -47.84 82.26 Favored 'General case' 0 C--O 1.218 -0.568 0 O-C-N 123.446 0.466 . . . . 0.0 110.947 -176.399 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.466 HG23 ' O ' ' B' ' 5' ' ' SER . 97.7 t -56.54 -45.38 82.17 Favored 'Isoleucine or valine' 0 C--O 1.217 -0.607 0 O-C-N 123.534 0.522 . . . . 0.0 111.023 -176.738 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 26.4 mtm180 -58.88 -52.07 67.32 Favored 'General case' 0 C--O 1.216 -0.701 0 O-C-N 123.487 0.492 . . . . 0.0 110.435 -175.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 41.5 ttm180 -61.52 -32.97 73.03 Favored 'General case' 0 N--CA 1.445 -0.678 0 N-CA-C 110.165 -0.309 . . . . 0.0 110.165 -175.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 45.1 tptt -64.23 -56.59 13.62 Favored 'General case' 0 N--CA 1.444 -0.737 0 N-CA-C 110.137 -0.32 . . . . 0.0 110.137 -179.188 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.7 pp -69.88 -26.68 30.75 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.932 0 O-C-N 123.047 0.217 . . . . 0.0 110.644 -175.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.9 tpp180 -56.33 -52.99 62.51 Favored 'General case' 0 C--O 1.218 -0.553 0 N-CA-C 109.773 -0.454 . . . . 0.0 109.773 175.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -56.64 -44.39 81.25 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.961 0.788 . . . . 0.0 110.294 -178.44 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 92.8 mt -62.1 -50.98 69.78 Favored 'General case' 0 C--O 1.216 -0.706 0 O-C-N 123.231 0.332 . . . . 0.0 110.588 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.5 mt-30 -55.48 -55.25 33.92 Favored 'General case' 0 C--O 1.217 -0.658 0 O-C-N 123.395 0.435 . . . . 0.0 111.112 -176.706 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -65.27 -32.47 74.14 Favored 'General case' 0 N--CA 1.445 -0.714 0 O-C-N 123.383 0.427 . . . . 0.0 110.881 -172.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -53.57 -38.79 64.23 Favored 'General case' 0 C--O 1.217 -0.612 0 O-C-N 123.507 0.505 . . . . 0.0 110.668 -177.245 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 49.4 m-80 -51.48 -57.77 8.13 Favored 'General case' 0 C--O 1.218 -0.564 0 O-C-N 123.63 0.582 . . . . 0.0 110.884 179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 85.9 m-85 -56.45 -42.0 77.42 Favored 'General case' 0 C--O 1.214 -0.812 0 O-C-N 123.684 0.615 . . . . 0.0 111.152 -174.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 88.8 m-70 -55.36 -49.04 73.31 Favored 'General case' 0 C--O 1.216 -0.682 0 O-C-N 123.602 0.564 . . . . 0.0 110.053 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 95.7 mt -68.56 -51.76 39.19 Favored 'General case' 0 C--O 1.216 -0.696 0 O-C-N 123.546 0.529 . . . . 0.0 110.106 -178.361 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -53.13 -48.68 67.68 Favored 'General case' 0 C--O 1.217 -0.611 0 O-C-N 123.818 0.699 . . . . 0.0 111.225 -176.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.485 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 22.7 m-80 -64.2 -50.29 68.66 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.299 0.374 . . . . 0.0 110.678 -178.075 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 19.1 tp10 -68.22 -43.09 78.74 Favored 'General case' 0 N--CA 1.443 -0.792 0 O-C-N 123.302 0.376 . . . . 0.0 110.821 -172.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 9.7 p -64.54 -33.51 63.53 Favored 'Isoleucine or valine' 0 C--O 1.208 -1.107 0 N-CA-C 109.803 -0.443 . . . . 0.0 109.803 -177.129 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -62.86 -42.82 99.9 Favored 'General case' 0 N--CA 1.445 -0.707 0 N-CA-C 109.879 -0.415 . . . . 0.0 109.879 179.262 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.485 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 20.4 mmt85 -62.89 -51.51 66.7 Favored 'General case' 0 C--O 1.215 -0.718 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 179.606 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.784 HD11 HG11 ' A' ' 34' ' ' VAL . 53.4 tp -58.94 -49.57 77.32 Favored 'General case' 0 N--CA 1.446 -0.652 0 O-C-N 123.655 0.597 . . . . 0.0 110.062 -178.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 82.6 tttt -53.72 -50.82 65.1 Favored 'General case' 0 C--O 1.214 -0.815 0 O-C-N 124.073 0.858 . . . . 0.0 110.653 -177.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 22.9 ttmm -71.42 -38.85 71.37 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 123.259 0.35 . . . . 0.0 111.769 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.6 -43.19 97.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.131 -177.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 11.4 p -86.12 -19.88 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 121.164 0.507 . . . . 0.0 110.508 177.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -80.81 -75.71 1.07 Allowed Glycine 0 N--CA 1.448 -0.544 0 CA-C-N 115.852 -0.613 . . . . 0.0 113.947 -172.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -152.61 138.98 18.49 Favored 'General case' 0 C--N 1.331 -0.227 0 N-CA-C 112.977 0.732 . . . . 0.0 112.977 -172.069 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 41.7 ttm180 . . . . . 0 C--O 1.247 0.946 0 CA-C-N 115.138 -0.937 . . . . 0.0 109.53 172.372 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.586 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -157.3 -42.8 0.07 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.705 0.288 . . . . 0.0 111.377 -179.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.44 179.49 50.52 Favored Glycine 0 N--CA 1.449 -0.48 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.656 -178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.4 m -66.86 -24.86 66.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.927 0.394 . . . . 0.0 110.568 -178.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 20.5 m -64.18 -28.18 69.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 115.956 -0.565 . . . . 0.0 110.749 178.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.527 ' O ' HG23 ' A' ' 9' ' ' VAL . 45.8 m -68.0 -42.33 80.9 Favored 'General case' 0 N--CA 1.45 -0.473 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.357 178.071 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.2 tt -64.88 -43.48 92.79 Favored 'General case' 0 C--N 1.328 -0.327 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -62.67 -41.69 99.21 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.949 178.107 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.6 -40.84 97.94 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.147 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 5' ' ' SER . 74.9 t -62.91 -47.4 92.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 N-CA-C 110.147 -0.316 . . . . 0.0 110.147 176.768 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 16.4 tpp85 -56.46 -45.64 80.77 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-O 121.09 0.472 . . . . 0.0 110.219 176.534 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.74 -51.35 69.9 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.358 -0.837 . . . . 0.0 110.191 178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.463 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 40.0 ttmt -63.74 -49.37 73.27 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.672 -177.106 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 40.4 pt -62.52 -36.97 77.58 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.163 0 C-N-CA 120.737 -0.385 . . . . 0.0 111.318 -175.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 29.0 ttp85 -72.02 -37.05 69.83 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.96 0.41 . . . . 0.0 110.003 178.411 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 7.9 t -67.13 -37.39 83.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.079 -0.51 . . . . 0.0 109.919 177.273 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 81.3 mt -67.57 -38.4 84.03 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.556 176.756 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 67.6 mt-30 -60.44 -44.44 95.83 Favored 'General case' 0 C--N 1.329 -0.301 0 N-CA-C 110.142 -0.318 . . . . 0.0 110.142 175.441 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . 0.534 ' O ' ' HB2' ' A' ' 22' ' ' HIS . 15.6 tp10 -57.27 -54.76 43.1 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 115.915 -0.584 . . . . 0.0 109.843 173.498 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -57.37 -42.52 82.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.719 -0.673 . . . . 0.0 111.371 -178.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.467 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.9 OUTLIER -69.22 -55.71 9.77 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.903 -0.135 . . . . 0.0 111.217 -178.259 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 73.2 t80 -56.82 -44.27 81.88 Favored 'General case' 0 C--O 1.236 0.37 0 CA-C-O 121.506 0.669 . . . . 0.0 110.334 179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.534 ' HB2' ' O ' ' A' ' 18' ' ' GLU . 1.7 t60 -61.1 -43.53 98.74 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.326 -0.852 . . . . 0.0 110.274 178.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.526 HD11 HG21 ' B' ' 27' ' ' VAL . 35.7 tp -74.44 -37.42 63.27 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.35 -176.033 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.467 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 48.1 mt-10 -58.21 -48.36 80.6 Favored 'General case' 0 C--O 1.235 0.314 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 177.252 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 5.9 m-20 -63.22 -44.0 96.54 Favored 'General case' 0 C--O 1.236 0.361 0 CA-C-N 115.941 -0.572 . . . . 0.0 110.668 175.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -61.03 -57.12 13.93 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.306 -178.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' O ' ' HG3' ' A' ' 31' ' ' LYS . 11.8 p -61.72 -35.92 70.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.722 -0.217 . . . . 0.0 110.856 -176.679 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.406 ' HA ' ' HE3' ' A' ' 31' ' ' LYS . . . -59.83 -48.15 82.86 Favored 'General case' 0 N--CA 1.456 -0.16 0 CA-C-O 120.999 0.428 . . . . 0.0 110.765 177.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.7 mtt180 -76.43 -26.65 55.71 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.166 -177.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 mp -65.1 -53.18 49.4 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.475 -0.33 . . . . 0.0 110.832 175.175 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.564 ' HA ' HG12 ' A' ' 34' ' ' VAL . 0.0 OUTLIER -70.89 -20.8 62.47 Favored 'General case' 0 C--N 1.334 -0.101 0 C-N-CA 120.801 -0.359 . . . . 0.0 110.473 179.151 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.0 tptt -65.62 -43.32 89.92 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.018 172.207 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -74.1 -52.47 12.51 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.813 -0.631 . . . . 0.0 110.541 -176.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.564 HG12 ' HA ' ' A' ' 31' ' ' LYS . 11.8 p -73.43 -29.06 26.49 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 CA-C-O 120.717 0.294 . . . . 0.0 111.307 -176.263 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.39 -41.36 7.43 Favored Glycine 0 N--CA 1.449 -0.441 0 C-N-CA 120.85 -0.69 . . . . 0.0 112.522 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 62.94 -166.58 0.22 Allowed 'General case' 0 C--O 1.235 0.308 0 CA-C-O 121.124 0.488 . . . . 0.0 111.258 -178.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 14.3 ttp180 . . . . . 0 C--O 1.244 0.808 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 173.067 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.696 0 N-CA-C 111.651 -0.579 . . . . 0.0 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -75.64 126.86 31.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.175 0.512 . . . . 0.0 111.325 -177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . -159.04 173.27 35.89 Favored Glycine 0 N--CA 1.446 -0.666 0 N-CA-C 110.823 -0.911 . . . . 0.0 110.823 178.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 15.7 m -58.43 -43.39 88.7 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 117.167 0.483 . . . . 0.0 111.056 -178.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 10.9 p -62.34 -37.33 85.23 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.467 -178.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 26.7 t -81.82 -58.69 2.88 Favored 'General case' 0 N--CA 1.444 -0.766 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.069 -177.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 51.3 tp -56.2 -53.77 53.16 Favored 'General case' 0 N--CA 1.447 -0.586 0 C-N-CA 122.94 0.496 . . . . 0.0 111.529 -170.774 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 28.7 tt0 -68.6 -32.19 71.9 Favored 'General case' 0 N--CA 1.441 -0.905 0 O-C-N 123.072 0.233 . . . . 0.0 110.543 -173.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -68.13 -52.56 33.45 Favored 'General case' 0 N--CA 1.449 -0.525 0 N-CA-C 109.815 -0.439 . . . . 0.0 109.815 178.717 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.517 ' O ' HG12 ' B' ' 13' ' ' ILE . 89.6 t -57.91 -47.98 85.05 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.791 0 O-C-N 123.657 0.598 . . . . 0.0 109.865 179.366 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -48.98 -55.39 12.04 Favored 'General case' 0 C--O 1.22 -0.48 0 O-C-N 123.955 0.784 . . . . 0.0 110.178 178.356 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 8.3 tpt180 -58.5 -46.26 87.06 Favored 'General case' 0 N--CA 1.444 -0.763 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.473 -178.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 22.9 tptm -67.38 -58.55 4.58 Favored 'General case' 0 N--CA 1.448 -0.54 0 CA-C-N 116.068 -0.515 . . . . 0.0 111.214 -173.041 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.517 HG12 ' O ' ' B' ' 9' ' ' VAL . 37.2 pt -61.66 -35.54 67.94 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.706 0 O-C-N 122.992 0.183 . . . . 0.0 111.032 -172.674 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 3.8 tmt_? -62.28 -47.02 86.17 Favored 'General case' 0 N--CA 1.446 -0.653 0 N-CA-C 109.025 -0.732 . . . . 0.0 109.025 -179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 22.5 m -62.1 -42.8 99.59 Favored 'General case' 0 N--CA 1.445 -0.723 0 O-C-N 123.558 0.536 . . . . 0.0 110.143 -178.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 98.3 mt -57.05 -48.24 79.02 Favored 'General case' 0 C--O 1.216 -0.692 0 O-C-N 123.568 0.542 . . . . 0.0 110.461 -179.783 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.0 mt-30 -62.25 -47.44 84.38 Favored 'General case' 0 C--O 1.219 -0.534 0 O-C-N 123.522 0.514 . . . . 0.0 110.453 -179.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.25 -53.4 56.5 Favored 'General case' 0 C--O 1.222 -0.349 0 O-C-N 123.86 0.725 . . . . 0.0 109.866 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -60.33 -46.52 89.63 Favored 'General case' 0 C--O 1.213 -0.828 0 CA-C-N 115.961 -0.563 . . . . 0.0 110.438 -178.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.497 ' O ' ' HG3' ' B' ' 24' ' ' GLU . 10.4 m-80 -56.57 -47.37 79.66 Favored 'General case' 0 C--O 1.214 -0.788 0 O-C-N 123.326 0.391 . . . . 0.0 110.811 -178.485 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 66.1 t80 -61.07 -41.13 96.05 Favored 'General case' 0 C--O 1.217 -0.633 0 N-CA-C 109.577 -0.527 . . . . 0.0 109.577 -179.195 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 6.9 t-80 -62.24 -51.09 69.15 Favored 'General case' 0 C--O 1.217 -0.656 0 CA-C-N 116.307 -0.406 . . . . 0.0 109.917 176.636 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -52.8 -52.9 54.97 Favored 'General case' 0 C--O 1.215 -0.746 0 O-C-N 123.828 0.705 . . . . 0.0 111.171 -177.11 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.497 ' HG3' ' O ' ' B' ' 20' ' ' ASN . 46.3 mt-10 -51.12 -52.35 44.61 Favored 'General case' 0 C--O 1.215 -0.729 0 O-C-N 123.92 0.762 . . . . 0.0 111.239 -175.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 51.7 m-80 -71.62 -33.47 68.99 Favored 'General case' 0 C--O 1.212 -0.874 0 O-C-N 123.397 0.436 . . . . 0.0 110.75 -173.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -73.83 -50.5 20.1 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 109.993 -0.373 . . . . 0.0 109.993 -177.317 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.526 HG21 HD11 ' A' ' 23' ' ' LEU . 9.9 p -64.8 -25.82 38.69 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.805 0 N-CA-C 109.622 -0.51 . . . . 0.0 109.622 -179.451 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -59.98 -42.18 93.61 Favored 'General case' 0 C--O 1.208 -1.085 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 16.0 mmt180 -53.68 -43.89 69.27 Favored 'General case' 0 C--O 1.213 -0.866 0 O-C-N 123.699 0.624 . . . . 0.0 110.628 -178.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.436 HD13 ' HA ' ' B' ' 27' ' ' VAL . 8.3 mp -58.95 -61.45 2.62 Favored 'General case' 0 C--O 1.221 -0.411 0 O-C-N 123.517 0.511 . . . . 0.0 110.487 -178.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.617 ' HA ' HG12 ' B' ' 34' ' ' VAL . 52.7 pttt -69.53 -25.04 63.83 Favored 'General case' 0 C--O 1.21 -0.997 0 CA-C-N 116.573 -0.285 . . . . 0.0 110.627 -174.42 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 80.5 tttt -72.53 -44.5 62.08 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.845 0.355 . . . . 0.0 110.477 177.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -69.49 -35.25 75.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.103 -178.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.617 HG12 ' HA ' ' B' ' 31' ' ' LYS . 9.0 p -82.12 -19.5 10.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.865 0.364 . . . . 0.0 110.445 179.287 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -67.53 -52.86 27.77 Favored Glycine 0 N--CA 1.448 -0.513 0 C-N-CA 120.737 -0.744 . . . . 0.0 111.588 177.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 63.1 -172.05 0.17 Allowed 'General case' 0 N--CA 1.464 0.246 0 CA-C-O 121.348 0.594 . . . . 0.0 111.525 176.348 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 17.4 ttp180 . . . . . 0 C--O 1.246 0.914 0 CA-C-O 118.252 -0.88 . . . . 0.0 108.975 173.725 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.655 0 N-CA-C 111.931 -0.468 . . . . 0.0 111.931 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -94.68 26.56 3.45 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-O 121.133 0.492 . . . . 0.0 110.803 -178.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -128.81 -176.47 14.45 Favored Glycine 0 N--CA 1.447 -0.617 0 CA-C-N 115.909 -0.587 . . . . 0.0 111.749 179.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 m 65.39 14.16 9.27 Favored 'General case' 0 C--O 1.234 0.246 0 CA-C-O 121.147 0.499 . . . . 0.0 110.726 -178.488 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.7 m -68.27 -29.27 68.03 Favored 'General case' 0 N--CA 1.452 -0.361 0 CA-C-N 115.534 -0.757 . . . . 0.0 110.077 -179.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.53 ' O ' HG23 ' A' ' 9' ' ' VAL . 4.0 p -62.01 -47.57 84.17 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.383 -0.826 . . . . 0.0 110.385 176.492 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -61.47 -46.37 90.32 Favored 'General case' 0 C--O 1.236 0.374 0 CA-C-N 116.047 -0.524 . . . . 0.0 109.71 178.425 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 6.0 tm-20 -56.14 -50.11 72.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.588 -0.733 . . . . 0.0 109.755 179.003 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.64 88.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.49 . . . . 0.0 112.17 -177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.53 HG23 ' O ' ' A' ' 5' ' ' SER . 78.4 t -64.83 -53.84 37.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.781 0.324 . . . . 0.0 111.048 -179.753 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.409 ' HD2' HH11 ' A' ' 10' ' ' ARG . 0.4 OUTLIER -64.42 -37.57 88.0 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.422 0.629 . . . . 0.0 109.807 -178.355 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 30.9 ttt180 -61.14 -49.15 78.42 Favored 'General case' 0 C--N 1.32 -0.687 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.704 176.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.788 ' HA ' ' HE3' ' A' ' 12' ' ' LYS . 0.4 OUTLIER -64.13 -48.48 75.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.918 -0.583 . . . . 0.0 111.166 -177.248 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 38.6 pt -62.32 -39.47 84.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 C-N-CA 120.769 -0.372 . . . . 0.0 111.023 -177.452 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.2 tmt_? -62.52 -45.19 94.12 Favored 'General case' 0 C--O 1.234 0.257 0 CA-C-O 120.753 0.311 . . . . 0.0 110.41 176.626 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 32.0 t -61.28 -47.03 87.89 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.744 -0.662 . . . . 0.0 110.501 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.725 HD13 HD13 ' B' ' 16' ' ' LEU . 95.8 mt -63.87 -47.74 79.5 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.114 -178.394 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 76.9 mt-30 -54.96 -53.64 53.0 Favored 'General case' 0 C--N 1.333 -0.116 0 CA-C-N 116.658 -0.246 . . . . 0.0 110.911 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -61.88 -43.97 97.75 Favored 'General case' 0 C--N 1.329 -0.319 0 O-C-N 123.311 0.382 . . . . 0.0 110.849 -176.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.551 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 6.6 tp-100 -62.36 -43.63 98.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.606 -179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.416 ' N ' HD22 ' A' ' 20' ' ' ASN . 0.9 OUTLIER -63.95 -44.97 91.2 Favored 'General case' 0 C--O 1.237 0.41 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.85 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 21.4 m-85 -60.5 -46.15 91.17 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 121.112 0.482 . . . . 0.0 109.782 176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.8 t-160 -60.07 -41.96 93.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.367 -0.833 . . . . 0.0 110.495 -178.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 85.8 mt -57.11 -53.72 54.89 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.359 -0.382 . . . . 0.0 110.865 178.343 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.457 ' HA ' HG12 ' A' ' 27' ' ' VAL . 7.7 mm-40 -62.9 -40.59 98.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.778 -179.458 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.443 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 22.0 m-80 -64.92 -44.67 88.77 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 121.028 0.442 . . . . 0.0 110.609 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -71.31 -40.38 70.85 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.09 -0.505 . . . . 0.0 111.027 -175.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.471 ' O ' ' HG2' ' A' ' 31' ' ' LYS . 7.8 p -68.57 -30.69 48.2 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 N-CA-C 110.011 -0.366 . . . . 0.0 110.011 179.408 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -61.63 -43.19 99.33 Favored 'General case' 0 N--CA 1.455 -0.22 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 174.038 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 2.8 mpt_? -56.57 -50.12 72.86 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.523 173.21 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 63.0 tp -59.09 -54.7 44.13 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.687 -176.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.491 ' HA ' HG12 ' A' ' 34' ' ' VAL . 62.5 pttt -71.68 -25.11 61.98 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.622 -175.09 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 32' ' ' LYS . 42.8 tptt -80.5 -22.21 41.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.614 -0.513 . . . . 0.0 109.614 177.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 58.6 tp -76.77 -39.13 52.64 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.439 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.491 HG12 ' HA ' ' A' ' 31' ' ' LYS . 8.9 p -84.48 -35.14 10.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.401 -0.363 . . . . 0.0 110.835 179.278 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -77.33 -48.97 7.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.436 -179.25 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 57.08 -153.07 0.38 Allowed 'General case' 0 C--O 1.233 0.211 0 C-N-CA 122.625 0.37 . . . . 0.0 110.815 -179.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 26.5 tpt180 . . . . . 0 C--O 1.251 1.132 0 CA-C-O 118.61 -0.71 . . . . 0.0 110.288 177.236 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.526 0 N-CA-C 112.031 -0.427 . . . . 0.0 112.031 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -85.5 111.83 20.35 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.753 0.311 . . . . 0.0 111.035 -178.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 93.97 79.17 1.44 Allowed Glycine 0 N--CA 1.447 -0.59 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.472 177.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 39.3 t -61.69 -38.37 87.57 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.902 0.382 . . . . 0.0 110.593 179.427 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.9 m -71.31 -43.17 67.61 Favored 'General case' 0 N--CA 1.441 -0.917 0 N-CA-C 109.519 -0.548 . . . . 0.0 109.519 -179.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.9 m -63.6 -35.77 81.62 Favored 'General case' 0 N--CA 1.442 -0.856 0 O-C-N 123.713 0.633 . . . . 0.0 110.271 -178.57 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 1.4 tt -52.86 -46.4 67.83 Favored 'General case' 0 C--O 1.216 -0.671 0 O-C-N 123.79 0.681 . . . . 0.0 109.694 -179.271 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 31.5 mm-40 -54.72 -52.62 61.91 Favored 'General case' 0 C--O 1.22 -0.456 0 O-C-N 123.575 0.547 . . . . 0.0 110.446 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.77 -50.98 68.89 Favored 'General case' 0 C--O 1.217 -0.614 0 O-C-N 123.572 0.545 . . . . 0.0 110.385 -177.75 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . 0.425 ' O ' HG12 ' B' ' 13' ' ' ILE . 85.7 t -57.61 -43.73 83.96 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.691 0 O-C-N 123.582 0.551 . . . . 0.0 110.336 -178.022 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' B' ' 10' ' ' ARG . 44.7 ttm180 -50.63 -61.74 2.02 Favored 'General case' 0 C--O 1.219 -0.509 0 O-C-N 123.797 0.686 . . . . 0.0 110.941 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 24.3 ttp85 -67.49 -34.3 76.85 Favored 'General case' 0 C--O 1.21 -0.992 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -175.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . 0.799 ' HA ' ' HE3' ' B' ' 12' ' ' LYS . 0.3 OUTLIER -57.35 -59.77 4.63 Favored 'General case' 0 N--CA 1.45 -0.443 0 O-C-N 123.378 0.424 . . . . 0.0 110.396 -179.576 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.552 ' HA ' HD12 ' B' ' 16' ' ' LEU . 38.2 pt -65.3 -35.04 74.42 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.822 0 O-C-N 123.203 0.314 . . . . 0.0 110.661 -174.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 73.8 mtp85 -69.56 -40.68 76.63 Favored 'General case' 0 N--CA 1.441 -0.893 0 N-CA-C 110.151 -0.315 . . . . 0.0 110.151 -178.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 60.8 m -61.17 -42.26 98.24 Favored 'General case' 0 C--O 1.214 -0.799 0 N-CA-C 109.495 -0.557 . . . . 0.0 109.495 177.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . 0.725 HD13 HD13 ' A' ' 16' ' ' LEU . 84.1 mt -55.59 -49.6 72.31 Favored 'General case' 0 C--O 1.213 -0.829 0 O-C-N 123.506 0.504 . . . . 0.0 109.763 177.609 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.416 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 75.4 mt-30 -53.16 -53.32 52.2 Favored 'General case' 0 C--O 1.221 -0.421 0 O-C-N 123.443 0.464 . . . . 0.0 110.413 179.371 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -64.76 -61.29 2.27 Favored 'General case' 0 C--O 1.217 -0.628 0 O-C-N 123.755 0.659 . . . . 0.0 109.839 -176.822 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.77 -40.03 75.13 Favored 'General case' 0 C--O 1.211 -0.953 0 O-C-N 123.504 0.502 . . . . 0.0 111.927 -172.719 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.456 HD22 ' N ' ' B' ' 20' ' ' ASN . 0.9 OUTLIER -65.04 -52.37 56.31 Favored 'General case' 0 C--O 1.215 -0.731 0 N-CA-C 109.9 -0.407 . . . . 0.0 109.9 -177.62 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 83.1 t80 -60.14 -41.99 93.92 Favored 'General case' 0 C--O 1.219 -0.55 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 177.672 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -56.29 -59.72 4.54 Favored 'General case' 0 N--CA 1.448 -0.531 0 CA-C-N 115.241 -0.89 . . . . 0.0 110.262 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 85.3 mt -70.0 -31.92 69.84 Favored 'General case' 0 C--O 1.211 -0.947 0 O-C-N 123.332 0.395 . . . . 0.0 110.871 -174.222 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -59.52 -48.53 81.31 Favored 'General case' 0 C--O 1.215 -0.711 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.568 ' O ' ' HG2' ' B' ' 29' ' ' ARG . 30.9 m-80 -68.59 -39.69 80.83 Favored 'General case' 0 C--O 1.211 -0.953 0 N-CA-C 109.701 -0.481 . . . . 0.0 109.701 178.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -52.33 -59.53 4.29 Favored 'General case' 0 N--CA 1.451 -0.424 0 O-C-N 123.818 0.699 . . . . 0.0 110.48 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 10.2 p -62.94 -36.05 74.02 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.783 0 N-CA-C 110.361 -0.236 . . . . 0.0 110.361 -176.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -60.15 -48.04 83.39 Favored 'General case' 0 N--CA 1.446 -0.639 0 O-C-N 123.255 0.347 . . . . 0.0 110.582 -179.226 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.568 ' HG2' ' O ' ' B' ' 25' ' ' ASN . 28.6 mmm180 -62.23 -37.43 85.35 Favored 'General case' 0 C--O 1.214 -0.789 0 N-CA-C 109.88 -0.415 . . . . 0.0 109.88 -177.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 45.6 tp -70.31 -46.01 65.1 Favored 'General case' 0 N--CA 1.442 -0.833 0 O-C-N 123.581 0.551 . . . . 0.0 110.638 -176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -27.17 63.95 Favored 'General case' 0 C--O 1.206 -1.212 0 N-CA-C 110.212 -0.292 . . . . 0.0 110.212 -177.534 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -73.0 -27.5 61.82 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.95 0.405 . . . . 0.0 110.439 174.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -64.73 -43.4 93.5 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-N 115.781 -0.645 . . . . 0.0 111.085 -175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -64.67 -37.07 79.18 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 N-CA-C 111.842 0.312 . . . . 0.0 111.842 -174.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.06 -61.27 1.68 Allowed Glycine 0 N--CA 1.449 -0.452 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.718 177.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 59.41 76.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.299 0 C-N-CA 123.535 0.734 . . . . 0.0 111.883 179.466 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 84.5 mtt180 . . . . . 0 C--O 1.247 0.965 0 CA-C-N 115.563 -0.744 . . . . 0.0 109.303 172.078 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.654 0 N-CA-C 111.918 -0.473 . . . . 0.0 111.918 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -135.38 127.61 30.08 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 120.698 0.285 . . . . 0.0 110.452 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 83.09 -77.23 2.15 Favored Glycine 0 N--CA 1.449 -0.488 0 C-N-CA 120.698 -0.763 . . . . 0.0 111.981 178.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 m -55.61 -52.48 63.63 Favored 'General case' 0 C--O 1.233 0.205 0 CA-C-O 121.003 0.43 . . . . 0.0 110.607 -179.602 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 4.8 m -69.37 -46.09 67.78 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.459 179.494 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.1 m -53.82 -50.43 66.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.729 -0.669 . . . . 0.0 112.034 -175.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 98.7 mt -64.66 -46.21 83.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.299 -0.41 . . . . 0.0 111.445 -175.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 65.9 mm-40 -71.57 -30.65 66.09 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 120.924 -0.31 . . . . 0.0 111.006 -177.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.08 -54.67 41.79 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.412 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.413 ' O ' HG12 ' A' ' 13' ' ' ILE . 58.6 t -63.69 -37.56 79.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.227 178.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.1 ttt180 -57.83 -51.46 69.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.523 -0.762 . . . . 0.0 110.88 179.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 35.5 ttp180 -67.01 -35.53 80.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.545 179.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.4 tppt? -61.95 -55.21 31.85 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.733 178.432 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.413 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.2 pt -66.01 -33.21 62.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 C-N-CA 121.118 -0.233 . . . . 0.0 111.215 -177.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -62.07 -43.33 99.06 Favored 'General case' 0 C--N 1.334 -0.074 0 CA-C-O 120.813 0.34 . . . . 0.0 110.292 176.093 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 28.2 m -65.66 -40.42 92.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.408 178.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.4 mt -63.78 -43.13 97.25 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 177.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 79.6 mt-30 -64.45 -45.69 86.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.548 -0.296 . . . . 0.0 110.702 178.013 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -59.62 -45.47 91.85 Favored 'General case' 0 C--O 1.235 0.34 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.078 179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.42 ' O ' ' HG ' ' A' ' 23' ' ' LEU . 26.9 tt0 -58.2 -48.1 81.41 Favored 'General case' 0 N--CA 1.454 -0.226 0 CA-C-N 115.544 -0.753 . . . . 0.0 110.412 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 5.2 m-80 -54.83 -48.12 73.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.359 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 23.9 m-85 -57.64 -46.53 84.05 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 121.032 0.444 . . . . 0.0 110.514 179.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . 0.487 ' O ' ' HB2' ' A' ' 26' ' ' GLU . 20.1 t-80 -71.31 -32.5 68.68 Favored 'General case' 0 C--O 1.219 -0.51 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.136 -177.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' HG ' ' O ' ' A' ' 19' ' ' GLN . 72.3 mt -67.95 -40.84 83.16 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 120.885 0.374 . . . . 0.0 110.576 177.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 55.2 mt-10 -64.24 -46.05 85.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.861 179.178 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.59 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 18.2 p30 -75.44 -19.68 59.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.348 -0.541 . . . . 0.0 110.576 179.611 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . 0.487 ' HB2' ' O ' ' A' ' 22' ' ' HIS . 4.3 tp10 -66.3 -56.78 9.51 Favored 'General case' 0 C--N 1.33 -0.271 0 N-CA-C 109.878 -0.415 . . . . 0.0 109.878 177.066 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.0 p -64.5 -33.25 61.71 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.226 179.156 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -61.87 -43.12 99.49 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.702 175.681 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 1.4 mpt_? -58.16 -52.84 63.88 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.571 177.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' HB3' HD22 ' B' ' 30' ' ' LEU . 11.2 mp -60.89 -45.61 93.89 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.696 -0.684 . . . . 0.0 111.881 -176.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.423 ' HA ' HG12 ' A' ' 34' ' ' VAL . 59.8 pttt -74.64 -23.27 58.65 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.593 -0.443 . . . . 0.0 111.246 -175.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 22.1 tptm -80.82 -27.0 36.69 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.348 0.594 . . . . 0.0 109.793 176.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -75.33 -51.52 12.99 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.694 -0.684 . . . . 0.0 109.82 178.362 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.423 HG12 ' HA ' ' A' ' 31' ' ' LYS . 12.2 p -75.52 -27.36 18.98 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.204 0 CA-C-O 121.07 0.462 . . . . 0.0 110.71 -179.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.28 -22.02 76.77 Favored Glycine 0 N--CA 1.448 -0.53 0 C-N-CA 120.989 -0.624 . . . . 0.0 112.001 178.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 76.8 mt-10 62.78 -155.67 0.34 Allowed 'General case' 0 C--O 1.233 0.199 0 O-C-N 124.054 0.502 . . . . 0.0 110.385 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.8 mtm-85 . . . . . 0 C--O 1.247 0.927 0 CA-C-O 118.894 -0.574 . . . . 0.0 109.809 178.564 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.795 0 N-CA-C 112.024 -0.43 . . . . 0.0 112.024 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 58.96 25.38 13.7 Favored 'General case' 0 N--CA 1.465 0.322 0 C-N-CA 122.755 0.422 . . . . 0.0 111.471 179.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 156.5 143.28 3.62 Favored Glycine 0 N--CA 1.447 -0.63 0 N-CA-C 111.393 -0.683 . . . . 0.0 111.393 -178.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 12.0 p -115.64 -76.35 0.58 Allowed 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 120.793 0.33 . . . . 0.0 111.076 -178.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 27.7 m -70.67 -35.39 72.8 Favored 'General case' 0 N--CA 1.441 -0.878 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 4.9 p -66.63 -23.0 66.11 Favored 'General case' 0 C--O 1.207 -1.158 0 O-C-N 123.643 0.589 . . . . 0.0 109.914 178.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.405 ' HG ' ' NH2' ' B' ' 10' ' ' ARG . 42.7 tp -85.57 -62.2 1.58 Allowed 'General case' 0 N--CA 1.442 -0.867 0 N-CA-C 109.594 -0.521 . . . . 0.0 109.594 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 17.3 mm-40 -55.66 -63.08 1.29 Allowed 'General case' 0 C--O 1.222 -0.353 0 O-C-N 123.845 0.716 . . . . 0.0 111.875 -175.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.49 -53.73 55.03 Favored 'General case' 0 C--O 1.22 -0.467 0 O-C-N 123.629 0.58 . . . . 0.0 111.517 -172.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 88.8 t -59.3 -41.89 85.51 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.677 0 O-C-N 123.395 0.434 . . . . 0.0 110.393 -176.863 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.405 ' NH2' ' HG ' ' B' ' 6' ' ' LEU . 32.3 ttm180 -57.02 -50.75 71.78 Favored 'General case' 0 C--O 1.211 -0.972 0 N-CA-C 109.762 -0.459 . . . . 0.0 109.762 178.677 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 3.6 tpt180 -57.54 -40.99 80.05 Favored 'General case' 0 N--CA 1.443 -0.797 0 O-C-N 123.482 0.489 . . . . 0.0 110.283 -177.423 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 36.0 ttmt -66.82 -52.48 43.24 Favored 'General case' 0 N--CA 1.448 -0.561 0 C-N-CA 121.12 -0.232 . . . . 0.0 110.732 -178.676 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -66.91 -30.31 49.18 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.865 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -177.29 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 5.3 tpt180 -60.66 -45.82 92.66 Favored 'General case' 0 C--O 1.216 -0.666 0 N-CA-C 109.434 -0.58 . . . . 0.0 109.434 174.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 28.0 m -57.85 -39.04 76.79 Favored 'General case' 0 C--O 1.214 -0.769 0 O-C-N 123.543 0.527 . . . . 0.0 109.842 -179.258 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.7 mt -62.22 -49.22 76.63 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.421 0.451 . . . . 0.0 109.929 178.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.459 ' O ' ' HB2' ' B' ' 20' ' ' ASN . 76.7 mt-30 -59.73 -49.11 79.0 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.301 0.376 . . . . 0.0 111.191 -175.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -69.4 -28.0 65.78 Favored 'General case' 0 C--O 1.213 -0.823 0 N-CA-C 109.924 -0.399 . . . . 0.0 109.924 -177.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . 0.466 HE21 ' HG ' ' B' ' 23' ' ' LEU . 22.9 tp60 -66.12 -35.71 81.22 Favored 'General case' 0 N--CA 1.444 -0.754 0 N-CA-C 109.402 -0.592 . . . . 0.0 109.402 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.459 ' HB2' ' O ' ' B' ' 17' ' ' GLN . 0.9 OUTLIER -52.45 -68.6 0.16 Allowed 'General case' 0 CA--C 1.515 -0.385 0 O-C-N 124.167 0.917 . . . . 0.0 110.718 179.542 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -54.22 -38.54 65.8 Favored 'General case' 0 C--O 1.212 -0.899 0 O-C-N 123.868 0.73 . . . . 0.0 110.721 -175.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 11.0 t-80 -60.98 -54.53 43.84 Favored 'General case' 0 C--O 1.215 -0.713 0 O-C-N 123.689 0.618 . . . . 0.0 109.84 -178.18 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.466 ' HG ' HE21 ' B' ' 19' ' ' GLN . 93.2 mt -64.76 -38.83 92.32 Favored 'General case' 0 C--O 1.213 -0.82 0 CA-C-N 116.419 -0.355 . . . . 0.0 110.492 -175.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -60.25 -38.1 82.42 Favored 'General case' 0 N--CA 1.446 -0.651 0 N-CA-C 109.686 -0.487 . . . . 0.0 109.686 178.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 -65.96 -45.49 81.57 Favored 'General case' 0 C--O 1.214 -0.783 0 O-C-N 123.628 0.58 . . . . 0.0 109.765 -179.583 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -49.15 -44.48 42.73 Favored 'General case' 0 C--O 1.215 -0.735 0 O-C-N 123.943 0.777 . . . . 0.0 110.827 179.311 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 48.6 t -55.62 -57.87 6.47 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.535 0 O-C-N 123.553 0.533 . . . . 0.0 110.36 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.823 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -43.03 99.01 Favored 'General case' 0 C--O 1.217 -0.643 0 O-C-N 123.289 0.368 . . . . 0.0 110.29 -178.402 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 64.1 ttt180 -50.53 -42.98 55.8 Favored 'General case' 0 C--O 1.215 -0.731 0 O-C-N 124.349 1.031 . . . . 0.0 110.247 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.52 HD22 ' HB3' ' A' ' 30' ' ' LEU . 6.7 tt -85.33 -51.44 6.57 Favored 'General case' 0 N--CA 1.443 -0.804 0 CA-C-N 116.554 -0.294 . . . . 0.0 110.705 -176.729 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.823 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 64.1 pttt -57.72 -40.46 79.65 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.201 0.313 . . . . 0.0 111.54 -170.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 16.8 tptm -60.61 -33.44 72.77 Favored 'General case' 0 CA--C 1.531 0.213 0 CA-C-O 120.949 0.405 . . . . 0.0 110.85 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.423 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.6 tm? -82.63 -42.7 17.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.229 -176.523 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.63 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.2 p -68.73 -24.02 28.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.266 0 CA-C-O 120.933 0.397 . . . . 0.0 111.109 -177.366 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.46 -25.3 73.01 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.685 -0.769 . . . . 0.0 111.566 175.383 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 63.86 177.46 0.17 Allowed 'General case' 0 C--O 1.235 0.338 0 C-N-CA 123.266 0.626 . . . . 0.0 112.266 177.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 3.0 ppt_? . . . . . 0 C--O 1.246 0.904 0 CA-C-N 115.279 -0.873 . . . . 0.0 109.96 179.137 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.704 0 N-CA-C 112.186 -0.366 . . . . 0.0 112.186 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -98.72 -163.88 1.08 Allowed 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 120.933 0.397 . . . . 0.0 111.437 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 143.82 -105.41 0.38 Allowed Glycine 0 N--CA 1.451 -0.354 0 N-CA-C 110.475 -1.05 . . . . 0.0 110.475 -177.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.4 p -96.17 -3.5 44.28 Favored 'General case' 0 C--N 1.319 -0.733 0 N-CA-C 109.237 -0.653 . . . . 0.0 109.237 170.291 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 21.2 t -54.11 -54.07 44.56 Favored 'General case' 0 C--N 1.332 -0.161 0 CA-C-N 114.945 -1.025 . . . . 0.0 111.782 -176.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.2 t -57.55 -52.21 66.35 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.815 0.341 . . . . 0.0 111.113 -177.779 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.4 tp -62.14 -47.33 85.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.197 -176.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -66.23 -40.5 90.31 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.462 -0.335 . . . . 0.0 110.831 -177.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.43 ' O ' ' HB2' ' A' ' 12' ' ' LYS . . . -62.13 -51.26 68.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.449 -177.687 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 14.9 p -69.51 -33.4 56.95 Favored 'Isoleucine or valine' 0 C--O 1.236 0.369 0 CA-C-O 120.768 0.318 . . . . 0.0 110.718 -177.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.0 ttm-85 -62.33 -57.89 9.7 Favored 'General case' 0 N--CA 1.453 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.132 179.375 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -67.41 -24.43 65.66 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.542 -177.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.46 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 12.1 tppt? -59.63 -59.71 5.01 Favored 'General case' 0 N--CA 1.455 -0.192 0 CA-C-N 116.241 -0.436 . . . . 0.0 109.85 177.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.79 -29.63 44.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.202 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.251 -178.447 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 25.6 mmm180 -61.06 -50.31 73.83 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.828 0.347 . . . . 0.0 110.753 177.303 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.1 m -65.56 -41.62 92.78 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.929 -0.578 . . . . 0.0 110.59 -179.586 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.46 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 94.1 mt -62.32 -49.32 76.07 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.564 -178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -64.27 -45.56 87.51 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.501 0.191 . . . . 0.0 110.982 -178.082 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 15.0 tp10 -59.27 -50.3 74.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.611 177.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.645 HE21 ' HG ' ' A' ' 23' ' ' LEU . 19.4 tp60 -61.86 -44.33 97.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.159 -177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -59.53 -51.61 69.12 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.316 -179.615 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.5 t80 -66.47 -39.05 88.57 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.105 0.479 . . . . 0.0 110.694 -177.056 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -62.02 -48.91 78.15 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.798 -0.637 . . . . 0.0 110.005 179.336 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.645 ' HG ' HE21 ' A' ' 19' ' ' GLN . 86.9 mt -67.05 -35.85 80.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.531 179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 13.0 tt0 -53.2 -51.96 60.41 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.889 0.376 . . . . 0.0 110.522 177.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 -66.66 -38.82 87.63 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.491 -177.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -66.28 -45.52 80.16 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.637 0.256 . . . . 0.0 111.261 179.5 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.8 t -64.32 -38.83 83.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.812 0.339 . . . . 0.0 110.361 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.67 -36.41 83.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.592 176.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.86 -42.14 99.64 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.067 -0.515 . . . . 0.0 109.831 176.092 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 62.6 tp -63.19 -51.26 67.05 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 115.477 -0.783 . . . . 0.0 111.534 -178.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.538 ' HD3' ' N ' ' A' ' 32' ' ' LYS . 0.0 OUTLIER -66.68 -31.17 71.66 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-O 120.862 0.363 . . . . 0.0 111.022 -177.74 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . 0.538 ' N ' ' HD3' ' A' ' 31' ' ' LYS . 20.7 tptm -71.33 -42.01 69.11 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 177.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.41 -46.38 90.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.061 -0.518 . . . . 0.0 111.071 -179.489 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.421 HG12 ' HA ' ' A' ' 31' ' ' LYS . 14.5 p -70.03 -27.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.082 0.467 . . . . 0.0 110.672 179.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.85 -19.49 78.84 Favored Glycine 0 N--CA 1.449 -0.496 0 C-N-CA 120.668 -0.777 . . . . 0.0 112.262 175.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 62.6 mm-40 -103.16 26.5 8.19 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 111.86 0.318 . . . . 0.0 111.86 -176.506 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 60.0 ttm-85 . . . . . 0 C--O 1.248 0.981 0 CA-C-O 118.296 -0.859 . . . . 0.0 109.927 176.344 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.617 0 N-CA-C 112.057 -0.417 . . . . 0.0 112.057 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -137.88 164.04 29.96 Favored 'General case' 0 C--N 1.323 -0.571 0 N-CA-C 110.192 -0.299 . . . . 0.0 110.192 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 117.89 56.22 0.29 Allowed Glycine 0 N--CA 1.447 -0.621 0 C-N-CA 120.644 -0.789 . . . . 0.0 111.779 -178.044 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 47.1 m 67.82 23.7 8.4 Favored 'General case' 0 C--O 1.232 0.177 0 C-N-CA 123.017 0.527 . . . . 0.0 111.138 179.072 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 14.8 m -67.1 -57.41 6.85 Favored 'General case' 0 N--CA 1.443 -0.787 0 CA-C-N 115.802 -0.635 . . . . 0.0 109.328 178.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 3.7 m -66.34 -33.64 76.19 Favored 'General case' 0 N--CA 1.44 -0.931 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.474 -179.475 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 52.0 tp -56.93 -63.94 1.04 Allowed 'General case' 0 C--O 1.218 -0.579 0 O-C-N 123.58 0.55 . . . . 0.0 110.595 -178.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -57.04 -41.3 78.4 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.555 0.534 . . . . 0.0 110.753 -176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -56.6 -57.98 10.05 Favored 'General case' 0 C--O 1.218 -0.6 0 O-C-N 123.528 0.518 . . . . 0.0 110.464 179.529 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 86.3 t -66.44 -41.49 88.78 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.911 0 O-C-N 123.288 0.367 . . . . 0.0 110.374 -177.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 13.3 tpt180 -58.64 -49.63 76.81 Favored 'General case' 0 C--O 1.215 -0.727 0 O-C-N 123.335 0.397 . . . . 0.0 109.95 -177.146 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 28.5 ttm180 -63.95 -40.03 95.5 Favored 'General case' 0 N--CA 1.442 -0.835 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -62.53 -52.03 65.04 Favored 'General case' 0 N--CA 1.445 -0.699 0 CA-C-N 115.462 -0.79 . . . . 0.0 110.761 -176.431 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 2.8 pp -68.39 -27.88 38.4 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.882 0 N-CA-C 110.49 -0.189 . . . . 0.0 110.49 -176.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.1 mmm180 -62.98 -49.13 75.91 Favored 'General case' 0 C--O 1.215 -0.727 0 N-CA-C 109.63 -0.507 . . . . 0.0 109.63 175.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 33.0 t -54.54 -40.07 68.3 Favored 'General case' 0 C--O 1.214 -0.766 0 O-C-N 123.842 0.714 . . . . 0.0 110.459 -177.6 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.5 mt -57.5 -60.55 3.49 Favored 'General case' 0 C--O 1.218 -0.578 0 O-C-N 123.522 0.514 . . . . 0.0 110.416 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 70.6 mt-30 -63.55 -37.46 87.42 Favored 'General case' 0 C--O 1.216 -0.703 0 O-C-N 123.555 0.534 . . . . 0.0 109.824 -177.159 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 14.1 tp10 -55.54 -52.19 64.53 Favored 'General case' 0 N--CA 1.449 -0.491 0 O-C-N 123.937 0.773 . . . . 0.0 110.212 179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.7 tp-100 -73.05 -37.89 66.69 Favored 'General case' 0 C--O 1.211 -0.927 0 CA-C-N 116.316 -0.402 . . . . 0.0 109.931 -176.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -55.75 -51.93 65.67 Favored 'General case' 0 C--O 1.217 -0.649 0 O-C-N 123.492 0.495 . . . . 0.0 111.056 -178.487 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 9.5 t80 -57.19 -45.34 83.83 Favored 'General case' 0 C--O 1.218 -0.562 0 N-CA-C 109.454 -0.572 . . . . 0.0 109.454 -177.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 10.5 t-80 -61.69 -51.45 68.35 Favored 'General case' 0 C--O 1.213 -0.855 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.329 177.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 8.6 tt -56.48 -52.46 64.64 Favored 'General case' 0 C--O 1.218 -0.595 0 O-C-N 123.687 0.617 . . . . 0.0 110.631 -175.157 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 53.0 mt-10 -54.55 -42.62 71.16 Favored 'General case' 0 C--O 1.217 -0.653 0 O-C-N 123.569 0.543 . . . . 0.0 110.905 -177.012 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.417 ' O ' ' HG3' ' B' ' 29' ' ' ARG . 29.9 m-80 -73.5 -43.85 59.14 Favored 'General case' 0 C--O 1.214 -0.774 0 N-CA-C 109.989 -0.374 . . . . 0.0 109.989 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -58.03 -54.2 49.63 Favored 'General case' 0 N--CA 1.448 -0.542 0 O-C-N 123.697 0.623 . . . . 0.0 110.757 -175.452 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.666 ' O ' ' HG3' ' B' ' 31' ' ' LYS . 11.7 p -58.66 -38.92 74.34 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.736 0 O-C-N 123.314 0.384 . . . . 0.0 110.25 -175.805 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 1.025 ' HA ' ' HE3' ' B' ' 31' ' ' LYS . . . -59.36 -46.55 88.33 Favored 'General case' 0 N--CA 1.446 -0.663 0 O-C-N 123.286 0.366 . . . . 0.0 110.308 -179.716 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.417 ' HG3' ' O ' ' B' ' 25' ' ' ASN . 86.7 mtt180 -58.81 -55.05 40.15 Favored 'General case' 0 C--O 1.22 -0.495 0 O-C-N 123.98 0.8 . . . . 0.0 109.814 179.527 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 9.6 mp -54.17 -65.93 0.49 Allowed 'General case' 0 C--O 1.222 -0.388 0 O-C-N 123.949 0.781 . . . . 0.0 112.159 -174.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 1.025 ' HE3' ' HA ' ' B' ' 28' ' ' ALA . 0.0 OUTLIER -61.77 -30.8 71.04 Favored 'General case' 0 C--O 1.212 -0.913 0 N-CA-C 112.304 0.483 . . . . 0.0 112.304 -169.173 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.478 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 34.1 ttpt -71.21 -37.82 72.07 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.399 -0.52 . . . . 0.0 110.598 -178.813 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.414 HD22 ' HA ' ' B' ' 33' ' ' LEU . 1.3 tm? -83.22 -50.99 7.86 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.465 -176.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.86 -26.0 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.737 0.303 . . . . 0.0 111.209 -174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -70.93 -19.15 76.79 Favored Glycine 0 N--CA 1.448 -0.515 0 C-N-CA 120.988 -0.625 . . . . 0.0 112.101 178.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 64.2 -164.38 0.25 Allowed 'General case' 0 C--O 1.234 0.267 0 C-N-CA 122.766 0.426 . . . . 0.0 110.545 -178.532 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 11.5 ptt180 . . . . . 0 C--O 1.245 0.858 0 CA-C-O 119.055 -0.497 . . . . 0.0 110.439 176.37 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.778 0 N-CA-C 112.271 -0.332 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -136.63 16.45 3.12 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.283 0.563 . . . . 0.0 110.629 179.396 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 147.12 127.64 1.79 Allowed Glycine 0 N--CA 1.447 -0.625 0 CA-C-N 115.6 -0.727 . . . . 0.0 111.93 -178.144 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.9 m -71.32 -32.66 68.85 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 120.807 0.337 . . . . 0.0 110.898 -178.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 24.4 m -63.31 -41.89 98.96 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.122 0.487 . . . . 0.0 109.999 176.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.2 m -66.34 -35.02 79.29 Favored 'General case' 0 N--CA 1.449 -0.484 0 CA-C-N 115.668 -0.697 . . . . 0.0 110.232 177.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 6.4 tt -66.09 -52.49 48.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 115.846 -0.615 . . . . 0.0 110.246 -177.613 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -66.6 -33.42 75.62 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.665 -0.243 . . . . 0.0 111.178 -178.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.4 -53.11 53.67 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 120.809 0.338 . . . . 0.0 110.961 178.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.405 ' O ' HG12 ' A' ' 13' ' ' ILE . 87.7 t -66.44 -40.92 87.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.803 -178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.403 ' HD3' ' C ' ' A' ' 10' ' ' ARG . 0.4 OUTLIER -59.15 -49.98 75.78 Favored 'General case' 0 C--O 1.235 0.291 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.488 -178.254 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 15.7 ttm180 -60.08 -45.72 91.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.057 0.456 . . . . 0.0 110.149 178.126 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -57.98 -54.5 46.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.291 -177.56 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.498 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 36.5 pt -64.94 -35.28 74.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 C-N-CA 121.108 -0.237 . . . . 0.0 111.564 -176.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 42.1 ttt-85 -69.42 -37.77 77.59 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.352 179.534 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 16.6 t -63.51 -36.28 83.23 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.208 -0.451 . . . . 0.0 109.974 177.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.2 mp -62.86 -41.85 99.53 Favored 'General case' 0 C--O 1.233 0.237 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.665 175.125 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.498 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 73.6 mt-30 -59.55 -48.78 80.33 Favored 'General case' 0 N--CA 1.463 0.176 0 CA-C-O 121.161 0.505 . . . . 0.0 110.34 176.693 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 6.7 tm-20 -65.05 -43.96 90.59 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.463 -0.789 . . . . 0.0 110.136 -179.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 29.9 tt0 -59.64 -40.48 87.81 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.644 179.168 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.468 ' O ' ' HG3' ' A' ' 24' ' ' GLU . 0.6 OUTLIER -57.98 -58.54 7.96 Favored 'General case' 0 CA--C 1.517 -0.298 0 CA-C-N 116.589 -0.278 . . . . 0.0 110.523 175.888 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 2.7 m-30 -58.03 -37.55 74.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.886 -179.451 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -60.66 -50.28 74.14 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.553 -0.749 . . . . 0.0 109.861 179.721 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -67.24 -45.13 77.66 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 115.695 -0.684 . . . . 0.0 111.14 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.468 ' HG3' ' O ' ' A' ' 20' ' ' ASN . 46.8 mt-10 -53.53 -55.89 21.68 Favored 'General case' 0 N--CA 1.465 0.303 0 CA-C-O 120.844 0.355 . . . . 0.0 111.15 -178.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 46.5 m-80 -66.26 -40.69 90.33 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.205 -177.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -67.49 -48.34 67.4 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.722 -0.217 . . . . 0.0 111.437 -176.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.9 p -66.54 -30.93 51.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 N-CA-C 110.132 -0.321 . . . . 0.0 110.132 -179.506 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.92 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -64.28 -43.18 95.61 Favored 'General case' 0 CA--C 1.521 -0.165 0 CA-C-O 121.04 0.448 . . . . 0.0 110.685 176.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -66.97 -39.55 87.22 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.306 178.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.573 HD11 ' HB3' ' B' ' 31' ' ' LYS . 4.8 tt -66.0 -51.67 56.24 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.444 -179.716 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.92 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 63.4 pttt -63.87 -34.39 77.82 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.72 0.295 . . . . 0.0 111.008 -177.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 1.5 ttpp -69.08 -33.51 73.65 Favored 'General case' 0 C--N 1.327 -0.37 0 N-CA-C 110.061 -0.348 . . . . 0.0 110.061 178.633 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 54.6 tp -78.21 -40.21 38.22 Favored 'General case' 0 CA--C 1.531 0.231 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.511 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.536 HG12 ' HA ' ' A' ' 31' ' ' LYS . 14.8 p -70.79 -30.0 40.08 Favored 'Isoleucine or valine' 0 C--O 1.233 0.226 0 CA-C-O 120.981 0.419 . . . . 0.0 110.22 178.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.4 -62.85 3.88 Favored Glycine 0 N--CA 1.445 -0.711 0 C-N-CA 120.776 -0.726 . . . . 0.0 111.704 175.236 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.1 mt-10 -147.49 -178.76 6.42 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.069 0.461 . . . . 0.0 110.504 178.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 48.2 ttt180 . . . . . 0 C--O 1.248 1.007 0 CA-C-O 118.501 -0.761 . . . . 0.0 109.793 176.57 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.925 -0.47 . . . . 0.0 111.925 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . 59.21 59.2 2.79 Favored 'General case' 0 C--O 1.235 0.305 0 CA-C-O 121.339 0.59 . . . . 0.0 110.285 -178.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 107.08 130.08 6.35 Favored Glycine 0 N--CA 1.444 -0.776 0 CA-C-N 115.515 -0.766 . . . . 0.0 111.741 -176.288 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . 0.598 ' HA ' ' HB3' ' B' ' 6' ' ' LEU . 66.8 m -84.81 3.39 37.95 Favored 'General case' 0 C--N 1.322 -0.612 0 O-C-N 122.815 -0.227 . . . . 0.0 111.206 -178.696 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 11.2 m -59.66 -64.44 0.94 Allowed 'General case' 0 N--CA 1.448 -0.563 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.068 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -68.74 -35.63 77.35 Favored 'General case' 0 N--CA 1.441 -0.879 0 N-CA-C 109.311 -0.626 . . . . 0.0 109.311 179.418 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.598 ' HB3' ' HA ' ' B' ' 3' ' ' SER . 57.6 tp -60.63 -62.07 2.13 Favored 'General case' 0 C--O 1.22 -0.487 0 CA-C-N 115.62 -0.718 . . . . 0.0 111.588 -175.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 2.4 tp10 -64.76 -41.92 95.51 Favored 'General case' 0 N--CA 1.446 -0.668 0 O-C-N 123.359 0.412 . . . . 0.0 110.447 -171.278 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.71 -57.81 8.16 Favored 'General case' 0 C--O 1.221 -0.401 0 O-C-N 123.937 0.773 . . . . 0.0 111.02 -176.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 9.2 p -69.77 -41.12 79.81 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.789 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 -177.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 40.0 ttt180 -52.94 -47.66 67.89 Favored 'General case' 0 C--O 1.217 -0.629 0 C-N-CA 123.253 0.621 . . . . 0.0 110.912 -176.657 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 54.9 ttp85 -68.24 -53.95 21.1 Favored 'General case' 0 N--CA 1.444 -0.757 0 O-C-N 123.233 0.333 . . . . 0.0 110.741 -175.226 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 35.7 ttpt -67.73 -38.0 82.95 Favored 'General case' 0 N--CA 1.444 -0.745 0 CA-C-O 119.327 -0.368 . . . . 0.0 111.787 -168.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.464 ' O ' ' HG3' ' B' ' 17' ' ' GLN . 2.8 pp -65.82 -30.04 48.81 Favored 'Isoleucine or valine' 0 C--O 1.213 -0.863 0 CA-C-N 117.98 0.354 . . . . 0.0 110.638 -175.473 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 6.5 ttp85 -65.79 -42.4 90.8 Favored 'General case' 0 N--CA 1.444 -0.727 0 N-CA-C 108.786 -0.82 . . . . 0.0 108.786 -179.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 7.4 m -63.22 -41.76 99.16 Favored 'General case' 0 N--CA 1.441 -0.918 0 CA-C-N 115.816 -0.629 . . . . 0.0 110.025 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.98 -37.26 86.42 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.566 0.541 . . . . 0.0 110.847 -176.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.464 ' HG3' ' O ' ' B' ' 13' ' ' ILE . 95.2 mt-30 -59.84 -52.36 65.76 Favored 'General case' 0 C--O 1.22 -0.473 0 N-CA-C 110.111 -0.329 . . . . 0.0 110.111 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 3.2 tm-20 -62.23 -42.64 99.49 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 109.279 -0.637 . . . . 0.0 109.279 -178.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -54.76 -45.92 74.29 Favored 'General case' 0 C--O 1.219 -0.522 0 O-C-N 123.642 0.589 . . . . 0.0 110.584 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 16.8 m-80 -61.37 -53.18 59.92 Favored 'General case' 0 C--O 1.219 -0.506 0 O-C-N 123.454 0.471 . . . . 0.0 110.506 -179.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 84.7 t80 -63.48 -36.44 83.76 Favored 'General case' 0 C--O 1.209 -1.042 0 O-C-N 123.292 0.37 . . . . 0.0 110.21 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -56.63 -42.46 78.87 Favored 'General case' 0 C--O 1.213 -0.847 0 O-C-N 123.429 0.455 . . . . 0.0 109.924 -177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.6 -45.63 64.94 Favored 'General case' 0 C--O 1.217 -0.652 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 17.3 tp10 -56.67 -48.39 77.72 Favored 'General case' 0 C--O 1.215 -0.737 0 O-C-N 123.79 0.681 . . . . 0.0 110.117 178.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -58.07 -50.32 73.88 Favored 'General case' 0 N--CA 1.447 -0.585 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.294 -178.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -64.24 -49.79 70.53 Favored 'General case' 0 C--O 1.215 -0.716 0 O-C-N 123.44 0.463 . . . . 0.0 111.229 -176.146 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 11.5 p -59.86 -38.26 75.47 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.704 0 N-CA-C 109.831 -0.433 . . . . 0.0 109.831 -175.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' B' ' 31' ' ' LYS . . . -63.81 -49.74 71.7 Favored 'General case' 0 C--O 1.217 -0.635 0 O-C-N 123.305 0.378 . . . . 0.0 110.013 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 24.2 ttt180 -60.99 -47.58 85.8 Favored 'General case' 0 N--CA 1.445 -0.71 0 O-C-N 123.546 0.529 . . . . 0.0 109.735 -177.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.525 ' HB3' HD22 ' A' ' 30' ' ' LEU . 9.1 mp -63.9 -45.81 87.66 Favored 'General case' 0 C--O 1.215 -0.76 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.54 -175.317 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.577 ' HA ' HG12 ' B' ' 34' ' ' VAL . 0.0 OUTLIER -66.35 -32.51 73.94 Favored 'General case' 0 C--O 1.213 -0.863 0 N-CA-C 109.667 -0.494 . . . . 0.0 109.667 -177.951 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.431 ' N ' ' HD2' ' B' ' 31' ' ' LYS . 5.9 tmtm? -70.34 -29.19 65.82 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-O 121.283 0.563 . . . . 0.0 110.173 176.588 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -77.1 -44.64 29.75 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.577 -0.738 . . . . 0.0 110.339 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' B' ' 31' ' ' LYS . 7.8 p -69.18 -19.88 23.98 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.311 0 CA-C-O 121.032 0.444 . . . . 0.0 111.082 -178.571 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -69.25 -23.46 76.28 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.92 -0.657 . . . . 0.0 112.104 176.529 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 47.8 mm-40 -89.63 111.87 22.94 Favored 'General case' 0 C--N 1.331 -0.222 0 N-CA-C 109.721 -0.474 . . . . 0.0 109.721 178.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 mtp180 . . . . . 0 C--O 1.25 1.082 0 CA-C-O 118.563 -0.732 . . . . 0.0 110.006 -176.091 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.718 0 N-CA-C 112.418 -0.273 . . . . 0.0 112.418 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -102.19 158.69 16.0 Favored 'General case' 0 C--O 1.233 0.236 0 O-C-N 122.66 -0.318 . . . . 0.0 110.369 179.402 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -85.92 56.05 4.82 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.063 -178.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.0 m -72.03 -16.74 62.05 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 120.809 0.338 . . . . 0.0 110.966 -178.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.7 m -56.61 -40.26 75.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.261 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.6 m -63.34 -43.32 98.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.873 -178.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.8 tt -67.69 -45.74 74.28 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.016 -0.538 . . . . 0.0 109.912 -177.472 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 40.6 tp10 -63.08 -39.54 95.03 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.526 -179.656 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.1 -49.56 77.15 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-N 116.47 -0.332 . . . . 0.0 110.897 178.59 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.467 ' O ' HG12 ' A' ' 13' ' ' ILE . 85.5 t -61.47 -50.25 81.14 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.237 177.708 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 33.0 ttm180 -54.43 -45.39 73.0 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.925 179.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.1 tpp180 -58.68 -49.36 77.86 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.973 -179.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.737 ' HE3' ' HA ' ' A' ' 12' ' ' LYS . 0.1 OUTLIER -71.84 -41.9 67.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.153 -175.463 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.474 ' O ' ' HG3' ' A' ' 17' ' ' GLN . 39.6 pt -68.84 -34.55 65.1 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.179 0 C-N-CA 120.446 -0.501 . . . . 0.0 110.657 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 51.8 ttt85 -63.19 -48.61 77.63 Favored 'General case' 0 C--N 1.332 -0.174 0 N-CA-C 109.68 -0.489 . . . . 0.0 109.68 173.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . 0.53 ' HB3' ' HE3' ' A' ' 12' ' ' LYS . 24.4 t -53.44 -47.78 69.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.634 -0.712 . . . . 0.0 110.816 176.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.468 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 97.5 mt -62.7 -51.82 65.7 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.246 -179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.474 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 44.3 mt-30 -67.1 -41.99 85.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.593 -0.276 . . . . 0.0 111.418 -175.588 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 36.0 tt0 -68.04 -34.39 76.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.946 0.403 . . . . 0.0 110.221 179.518 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . 0.522 HE21 ' HG ' ' A' ' 23' ' ' LEU . 25.6 tp60 -65.74 -45.79 81.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 109.99 175.687 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 21.7 m-80 -62.04 -35.53 78.87 Favored 'General case' 0 N--CA 1.464 0.238 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.651 176.691 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 59.3 t80 -61.68 -50.64 71.67 Favored 'General case' 0 C--O 1.242 0.677 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.095 176.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 59.6 t-80 -62.86 -48.36 79.36 Favored 'General case' 0 C--O 1.22 -0.488 0 CA-C-N 115.631 -0.713 . . . . 0.0 109.804 178.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.522 ' HG ' HE21 ' A' ' 19' ' ' GLN . 86.5 mt -60.43 -34.72 74.38 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.417 -178.412 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -64.38 -47.54 78.86 Favored 'General case' 0 C--O 1.235 0.335 0 CA-C-O 121.016 0.436 . . . . 0.0 110.425 178.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -68.24 -38.66 82.07 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 121.467 0.651 . . . . 0.0 110.139 177.052 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 62.2 tt0 -62.45 -51.99 65.31 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.004 -0.998 . . . . 0.0 110.772 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 9.3 p -67.55 -28.55 42.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.486 -0.324 . . . . 0.0 110.4 179.657 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.683 ' HA ' ' HE2' ' A' ' 31' ' ' LYS . . . -60.32 -44.43 95.47 Favored 'General case' 0 C--N 1.333 -0.152 0 CA-C-O 121.11 0.481 . . . . 0.0 110.185 175.459 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.6 mmm180 -63.57 -42.61 98.32 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.548 176.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 10.2 mp -66.94 -46.71 73.89 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.484 -0.326 . . . . 0.0 111.855 -179.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.683 ' HE2' ' HA ' ' A' ' 28' ' ' ALA . 65.7 pttt -68.67 -29.29 67.72 Favored 'General case' 0 C--N 1.331 -0.206 0 C-N-CA 121.152 -0.219 . . . . 0.0 111.107 -177.598 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -78.43 -26.78 46.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.108 0.48 . . . . 0.0 109.875 175.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 41.7 tp -71.63 -50.73 28.0 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.739 178.626 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -75.46 -33.64 27.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.169 -179.141 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -76.87 -74.72 0.95 Allowed Glycine 0 N--CA 1.446 -0.689 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.077 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.899 ' HG3' ' H ' ' A' ' 37' ' ' ARG . 7.0 tp10 55.97 -150.24 0.43 Allowed 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 110.089 -0.337 . . . . 0.0 110.089 179.805 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . 0.899 ' H ' ' HG3' ' A' ' 36' ' ' GLU . 8.6 ttm180 . . . . . 0 C--O 1.247 0.967 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.135 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.657 0 N-CA-C 111.48 -0.648 . . . . 0.0 111.48 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -66.74 95.34 0.35 Allowed 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 121.013 0.435 . . . . 0.0 110.771 179.143 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 86.5 -30.29 4.56 Favored Glycine 0 N--CA 1.45 -0.404 0 CA-C-N 116.067 -0.515 . . . . 0.0 112.219 -178.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 2.4 p -79.88 95.67 6.13 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-O 121.362 0.601 . . . . 0.0 111.429 -179.211 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 33.7 t -86.96 -75.16 0.41 Allowed 'General case' 0 N--CA 1.444 -0.754 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.583 177.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m -71.8 -36.61 70.33 Favored 'General case' 0 N--CA 1.442 -0.856 0 CA-C-N 116.103 -0.499 . . . . 0.0 109.919 -177.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 7.4 tt -52.58 -57.26 10.56 Favored 'General case' 0 C--O 1.219 -0.512 0 O-C-N 123.769 0.668 . . . . 0.0 109.772 -177.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 38.4 tt0 -62.99 -54.35 39.69 Favored 'General case' 0 N--CA 1.444 -0.766 0 O-C-N 123.583 0.552 . . . . 0.0 110.371 -177.719 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -57.12 -57.73 11.3 Favored 'General case' 0 N--CA 1.448 -0.568 0 O-C-N 123.779 0.675 . . . . 0.0 111.753 -173.577 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 98.7 t -64.41 -54.46 30.42 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.569 0 O-C-N 123.238 0.337 . . . . 0.0 111.06 -172.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 51.0 ttp180 -60.34 -42.07 94.91 Favored 'General case' 0 C--O 1.214 -0.765 0 O-C-N 123.414 0.446 . . . . 0.0 110.547 -172.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' B' ' 11' ' ' ARG . 0.0 OUTLIER -62.43 -50.96 69.43 Favored 'General case' 0 C--O 1.22 -0.5 0 N-CA-C 109.422 -0.585 . . . . 0.0 109.422 -178.887 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 47.7 tttm -62.73 -49.09 76.43 Favored 'General case' 0 C--O 1.218 -0.599 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.497 -173.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . . . . . . . . . 33.3 pt -64.17 -35.28 73.35 Favored 'Isoleucine or valine' 0 C--O 1.215 -0.75 0 O-C-N 123.288 0.368 . . . . 0.0 110.528 -175.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 47.2 ttt180 -64.84 -50.07 68.09 Favored 'General case' 0 C--O 1.214 -0.78 0 N-CA-C 109.514 -0.551 . . . . 0.0 109.514 177.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 47.5 t -50.79 -46.08 59.45 Favored 'General case' 0 C--O 1.214 -0.79 0 O-C-N 123.964 0.79 . . . . 0.0 110.506 -178.314 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 85.2 mt -56.13 -55.91 27.26 Favored 'General case' 0 C--O 1.217 -0.655 0 O-C-N 123.791 0.682 . . . . 0.0 110.796 -178.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 75.5 mt-30 -69.96 -45.28 67.74 Favored 'General case' 0 C--O 1.215 -0.728 0 O-C-N 123.389 0.431 . . . . 0.0 110.81 -174.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -63.23 -46.06 88.7 Favored 'General case' 0 N--CA 1.444 -0.752 0 O-C-N 123.373 0.421 . . . . 0.0 110.309 -174.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 50.1 tp60 -71.05 -26.99 63.32 Favored 'General case' 0 C--O 1.21 -0.994 0 N-CA-C 110.033 -0.358 . . . . 0.0 110.033 -177.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.89 -54.25 48.65 Favored 'General case' 0 CA--C 1.51 -0.572 0 N-CA-C 110.016 -0.364 . . . . 0.0 110.016 177.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 87.2 t80 -69.44 -38.19 77.72 Favored 'General case' 0 C--O 1.213 -0.85 0 N-CA-C 109.633 -0.506 . . . . 0.0 109.633 179.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 33.8 t-80 -57.66 -47.72 81.48 Favored 'General case' 0 C--O 1.21 -1.019 0 O-C-N 123.411 0.444 . . . . 0.0 109.825 -178.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 56.2 tp -58.98 -33.54 70.79 Favored 'General case' 0 C--O 1.212 -0.88 0 O-C-N 123.594 0.559 . . . . 0.0 110.806 -176.427 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.679 ' HA ' HG12 ' B' ' 27' ' ' VAL . 43.8 mt-10 -67.7 -23.82 65.33 Favored 'General case' 0 C--O 1.21 -0.98 0 N-CA-C 109.954 -0.388 . . . . 0.0 109.954 -178.158 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -69.57 -41.48 75.78 Favored 'General case' 0 N--CA 1.445 -0.71 0 N-CA-C 109.129 -0.693 . . . . 0.0 109.129 176.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -73.26 -59.1 2.87 Favored 'General case' 0 N--CA 1.447 -0.606 0 O-C-N 123.44 0.463 . . . . 0.0 110.516 179.595 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.679 HG12 ' HA ' ' B' ' 24' ' ' GLU . 14.0 p -56.86 -36.79 50.98 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.809 0 O-C-N 123.535 0.522 . . . . 0.0 111.631 -170.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . . . . . . . . . . . -53.35 -48.9 68.12 Favored 'General case' 0 C--O 1.218 -0.582 0 O-C-N 123.404 0.44 . . . . 0.0 110.701 -177.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 5.4 mpt_? -79.98 -39.92 29.08 Favored 'General case' 0 C--O 1.208 -1.086 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -178.581 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 7.2 tt -51.49 -60.3 3.29 Favored 'General case' 0 N--CA 1.451 -0.39 0 O-C-N 123.872 0.732 . . . . 0.0 110.699 -176.194 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.52 -32.8 71.85 Favored 'General case' 0 C--O 1.214 -0.8 0 O-C-N 123.082 0.239 . . . . 0.0 110.479 -173.521 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -79.13 -31.82 44.26 Favored 'General case' 0 C--N 1.324 -0.507 0 C-N-CA 121.218 -0.193 . . . . 0.0 111.418 -174.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.25 -48.26 80.74 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.545 -0.298 . . . . 0.0 110.585 -176.091 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.97 -27.34 27.1 Favored 'Isoleucine or valine' 0 C--O 1.236 0.383 0 CA-C-O 121.012 0.434 . . . . 0.0 111.11 -177.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -85.72 -75.82 1.24 Allowed Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.521 179.418 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . 0.405 ' HB3' ' H ' ' B' ' 37' ' ' ARG . 6.9 tp10 52.07 -98.41 0.07 Allowed 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 123.533 0.733 . . . . 0.0 110.679 -175.357 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.405 ' H ' ' HB3' ' B' ' 36' ' ' GLU . 13.1 ttt85 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.228 -0.891 . . . . 0.0 111.784 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 111.549 -0.62 . . . . 0.0 111.549 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -107.12 98.84 8.44 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.124 0.488 . . . . 0.0 109.834 175.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . -144.62 30.6 1.82 Allowed Glycine 0 N--CA 1.443 -0.895 0 N-CA-C 111.516 -0.634 . . . . 0.0 111.516 -178.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.413 ' O ' ' HB2' ' A' ' 7' ' ' GLU . 13.9 t -81.73 60.94 4.88 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 121.364 0.602 . . . . 0.0 110.356 -179.393 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 5.0 p -87.22 -73.34 0.48 Allowed 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.23 174.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 t -71.91 -33.62 68.44 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.98 179.762 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 tt -57.79 -50.31 73.7 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 115.924 -0.58 . . . . 0.0 109.586 177.134 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . 0.512 ' OE2' ' HD3' ' A' ' 10' ' ' ARG . 5.8 tp10 -66.06 -38.72 89.04 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.889 -0.596 . . . . 0.0 110.222 -179.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.469 ' O ' ' HG3' ' A' ' 12' ' ' LYS . . . -58.16 -55.4 35.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.974 179.48 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.99 -45.64 98.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.513 179.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.512 ' HD3' ' OE2' ' A' ' 7' ' ' GLU . 67.4 ttt180 -53.52 -52.0 61.04 Favored 'General case' 0 N--CA 1.465 0.286 0 CA-C-N 115.504 -0.771 . . . . 0.0 110.83 178.41 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 1.2 tmm_? -62.98 -43.05 99.85 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.766 -177.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' HG3' ' O ' ' A' ' 8' ' ' ALA . 59.0 mtpt -58.16 -61.06 2.83 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.526 -179.472 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.439 HD12 ' N ' ' A' ' 14' ' ' ARG . 2.8 pp -67.89 -33.1 59.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 N-CA-C 111.924 0.342 . . . . 0.0 111.924 -172.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.439 ' N ' HD12 ' A' ' 13' ' ' ILE . 6.6 tpt180 -75.74 -37.19 59.56 Favored 'General case' 0 C--N 1.328 -0.358 0 C-N-CA 120.579 -0.449 . . . . 0.0 110.853 -176.094 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 57.4 p -68.96 -39.09 79.69 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 177.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.458 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 92.7 mt -62.34 -45.77 91.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.276 177.266 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 74.5 mt-30 -57.24 -47.67 80.78 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.088 177.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -60.03 -54.28 47.88 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.182 178.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 5.9 tp-100 -55.56 -48.23 75.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.469 -0.332 . . . . 0.0 110.339 -179.729 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -62.05 -49.22 76.88 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 -179.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 86.4 t80 -56.32 -43.45 79.0 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.82 0.343 . . . . 0.0 111.173 -179.209 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 34.7 m170 -69.6 -42.91 73.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.319 -177.508 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 95.0 mt -70.13 -36.82 75.05 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.966 179.834 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -60.94 -41.1 95.6 Favored 'General case' 0 C--N 1.329 -0.29 0 N-CA-C 109.602 -0.518 . . . . 0.0 109.602 177.341 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . . . . . . . . . 18.9 t-20 -63.1 -43.14 99.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.67 175.05 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -68.71 -44.77 73.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.37 -0.377 . . . . 0.0 111.605 -176.517 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 12.8 p -66.53 -36.02 76.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.27 0 CA-C-O 120.831 0.348 . . . . 0.0 110.493 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . 0.414 ' HA ' ' HG2' ' A' ' 31' ' ' LYS . . . -68.6 -39.06 81.06 Favored 'General case' 0 C--O 1.225 -0.199 0 CA-C-O 121.012 0.434 . . . . 0.0 110.136 174.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.0 ttm180 -59.56 -45.43 91.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.629 -0.714 . . . . 0.0 110.343 176.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 57.8 tp -62.55 -47.69 82.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 115.72 -0.673 . . . . 0.0 110.836 -179.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.761 ' HA ' HG12 ' A' ' 34' ' ' VAL . 56.4 pttt -74.66 -19.09 60.42 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.865 -0.334 . . . . 0.0 110.927 -177.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 50.3 tptt -69.29 -46.47 67.12 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 169.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 57.8 tp -65.79 -44.7 84.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.741 -0.663 . . . . 0.0 111.196 -178.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.761 HG12 ' HA ' ' A' ' 31' ' ' LYS . 8.6 p -80.12 -20.73 11.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 121.045 0.45 . . . . 0.0 110.48 179.775 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -73.49 -43.41 37.34 Favored Glycine 0 N--CA 1.448 -0.524 0 C-N-CA 120.897 -0.668 . . . . 0.0 111.834 177.157 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 18.2 mm-40 -72.54 113.51 9.66 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 120.943 0.401 . . . . 0.0 110.062 175.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 71.9 ttt180 . . . . . 0 C--O 1.246 0.912 0 CA-C-O 118.692 -0.67 . . . . 0.0 109.545 -179.812 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.715 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -84.69 94.73 8.71 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.053 0.454 . . . . 0.0 110.166 177.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . 0.542 ' HA2' ' HB3' ' B' ' 6' ' ' LEU . . . -120.31 66.33 0.43 Allowed Glycine 0 N--CA 1.445 -0.721 0 C-N-CA 120.664 -0.779 . . . . 0.0 112.429 -176.008 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.6 p -127.07 -77.35 0.58 Allowed 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.804 0.335 . . . . 0.0 111.412 178.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.3 m -85.32 -44.45 12.82 Favored 'General case' 0 N--CA 1.442 -0.855 0 CA-C-N 116.485 -0.325 . . . . 0.0 110.78 -174.742 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.7 p -85.2 -75.25 0.37 Allowed 'General case' 0 C--N 1.323 -0.544 0 N-CA-C 111.985 0.365 . . . . 0.0 111.985 -173.256 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . 0.542 ' HB3' ' HA2' ' B' ' 2' ' ' GLY . 59.2 tp -47.59 -67.37 0.28 Allowed 'General case' 0 C--O 1.22 -0.473 0 O-C-N 124.079 0.862 . . . . 0.0 112.874 -170.192 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -62.17 -37.91 87.04 Favored 'General case' 0 N--CA 1.445 -0.711 0 O-C-N 123.336 0.397 . . . . 0.0 111.295 -169.214 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.54 -55.93 28.34 Favored 'General case' 0 N--CA 1.447 -0.577 0 O-C-N 123.509 0.506 . . . . 0.0 110.41 -177.625 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.14 -38.83 82.85 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 O-C-N 123.454 0.471 . . . . 0.0 110.204 -176.541 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . 0.4 ' O ' HG13 ' B' ' 13' ' ' ILE . 33.6 ttp180 -52.83 -50.25 64.08 Favored 'General case' 0 C--O 1.214 -0.767 0 O-C-N 123.834 0.709 . . . . 0.0 111.902 -174.621 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 36.1 ttt180 -71.61 -35.06 70.35 Favored 'General case' 0 C--O 1.216 -0.705 0 CA-C-N 118.018 0.372 . . . . 0.0 110.291 -176.094 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -66.27 -41.51 89.76 Favored 'General case' 0 C--O 1.215 -0.712 0 O-C-N 123.292 0.37 . . . . 0.0 110.671 -174.036 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.4 HG13 ' O ' ' B' ' 10' ' ' ARG . 2.8 pp -70.7 -25.9 27.26 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.926 0 N-CA-C 110.177 -0.305 . . . . 0.0 110.177 -178.278 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . . . . . . . . . 58.4 ttt180 -72.41 -34.06 67.59 Favored 'General case' 0 N--CA 1.443 -0.817 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 16.0 m -55.43 -45.17 76.81 Favored 'General case' 0 C--O 1.216 -0.679 0 N-CA-C 109.452 -0.573 . . . . 0.0 109.452 178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.8 mt -62.21 -44.18 97.17 Favored 'General case' 0 C--O 1.214 -0.778 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.134 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . 0.907 ' HA ' HE21 ' B' ' 17' ' ' GLN . 0.0 OUTLIER -58.3 -46.37 86.23 Favored 'General case' 0 C--O 1.215 -0.744 0 O-C-N 123.129 0.268 . . . . 0.0 110.448 -178.466 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -57.18 -47.88 80.12 Favored 'General case' 0 C--O 1.22 -0.488 0 O-C-N 123.549 0.531 . . . . 0.0 109.78 -179.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -55.23 -58.96 5.56 Favored 'General case' 0 C--O 1.22 -0.487 0 O-C-N 123.935 0.772 . . . . 0.0 110.294 179.655 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 34.1 m-80 -54.16 -43.01 70.24 Favored 'General case' 0 C--O 1.214 -0.799 0 O-C-N 123.681 0.613 . . . . 0.0 110.88 -176.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 58.1 t80 -56.99 -59.38 5.14 Favored 'General case' 0 N--CA 1.449 -0.477 0 O-C-N 123.645 0.59 . . . . 0.0 110.677 -178.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . 0.607 ' HA ' ' OD1' ' B' ' 25' ' ' ASN . 17.4 m-70 -67.35 -36.05 80.61 Favored 'General case' 0 C--O 1.209 -1.057 0 O-C-N 123.355 0.409 . . . . 0.0 111.044 -175.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . 0.412 ' O ' HG12 ' B' ' 27' ' ' VAL . 4.6 tt -48.85 -54.6 14.57 Favored 'General case' 0 N--CA 1.45 -0.469 0 O-C-N 123.874 0.734 . . . . 0.0 109.849 -177.392 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . . . . . . . . . 14.0 mm-40 -63.36 -57.49 10.18 Favored 'General case' 0 N--CA 1.445 -0.678 0 O-C-N 123.449 0.468 . . . . 0.0 111.826 -176.218 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . 0.607 ' OD1' ' HA ' ' B' ' 22' ' ' HIS . 2.3 p-10 -64.21 -38.57 91.52 Favored 'General case' 0 C--O 1.215 -0.718 0 CA-C-N 117.853 0.297 . . . . 0.0 110.439 -173.073 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . 0.593 ' HB2' ' O ' ' B' ' 22' ' ' HIS . 1.1 tp10 -66.8 -51.22 58.21 Favored 'General case' 0 N--CA 1.443 -0.775 0 N-CA-C 110.154 -0.313 . . . . 0.0 110.154 -175.74 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.412 HG12 ' O ' ' B' ' 23' ' ' LEU . 9.2 p -67.02 -35.63 75.12 Favored 'Isoleucine or valine' 0 C--O 1.212 -0.901 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 -177.039 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.988 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -59.1 -51.5 69.74 Favored 'General case' 0 N--CA 1.447 -0.583 0 O-C-N 123.434 0.459 . . . . 0.0 109.841 179.208 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . 0.401 ' HD3' HH11 ' B' ' 29' ' ' ARG . 36.6 ttt-85 -59.35 -53.78 54.33 Favored 'General case' 0 C--O 1.216 -0.675 0 O-C-N 123.755 0.659 . . . . 0.0 110.249 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . . . . . . . . . 51.9 tp -53.03 -56.45 16.01 Favored 'General case' 0 C--O 1.218 -0.571 0 O-C-N 123.88 0.737 . . . . 0.0 111.696 -173.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.988 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 54.9 pttt -62.08 -39.25 91.81 Favored 'General case' 0 C--O 1.215 -0.717 0 O-C-N 123.411 0.444 . . . . 0.0 110.96 -173.271 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . 0.544 ' C ' ' HD3' ' B' ' 32' ' ' LYS . 13.5 tmtt? -74.99 -42.74 56.93 Favored 'General case' 0 C--N 1.328 -0.351 0 C-N-CA 121.016 -0.274 . . . . 0.0 110.463 -179.116 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.1 tp -60.64 -44.7 96.08 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.886 -173.372 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 10.8 p -73.78 -35.26 42.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 CA-C-O 120.747 0.308 . . . . 0.0 111.527 -176.334 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -86.26 -32.2 17.48 Favored Glycine 0 N--CA 1.448 -0.508 0 C-N-CA 120.662 -0.78 . . . . 0.0 113.066 -176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 58.65 43.85 18.29 Favored 'General case' 0 N--CA 1.465 0.307 0 CA-C-O 121.334 0.587 . . . . 0.0 110.448 -173.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . 0.417 HH11 ' HD3' ' B' ' 37' ' ' ARG . 0.5 OUTLIER . . . . . 0 C--O 1.246 0.872 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.523 -176.43 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.784 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . -130.23 -179.29 5.16 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.591 0.234 . . . . 0.0 110.779 -178.255 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' GLY . . . . . . . . . . . . . . . 141.67 65.14 0.03 OUTLIER Glycine 0 N--CA 1.449 -0.478 0 C-N-CA 120.741 -0.742 . . . . 0.0 111.877 -178.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.3 m -64.27 -55.8 18.96 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.589 0.233 . . . . 0.0 111.161 -176.553 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 48.7 m -66.18 -35.62 80.95 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.742 0.306 . . . . 0.0 110.674 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.9 m -61.88 -50.3 72.76 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.748 179.22 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 48.4 tp -64.9 -38.07 89.74 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.675 -179.557 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -68.17 -33.86 75.24 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.76 179.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.88 -45.28 93.3 Favored 'General case' 0 N--CA 1.454 -0.247 0 CA-C-O 121.011 0.434 . . . . 0.0 109.91 176.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' VAL . . . . . 0.476 ' O ' HG12 ' A' ' 13' ' ' ILE . 60.4 t -63.51 -43.66 98.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.826 -0.624 . . . . 0.0 110.357 175.607 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 44.4 ttt180 -52.57 -52.34 55.54 Favored 'General case' 0 C--O 1.233 0.233 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.384 177.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 11' ' ' ARG . 19.1 ttm-85 -62.78 -41.62 99.34 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 121.077 0.465 . . . . 0.0 110.414 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.469 ' O ' ' HG ' ' A' ' 16' ' ' LEU . 18.8 tptm -62.57 -55.1 30.39 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.48 -0.782 . . . . 0.0 111.108 -176.206 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ILE . . . . . 0.476 HG12 ' O ' ' A' ' 9' ' ' VAL . 38.5 pt -65.48 -38.0 81.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.69 -0.232 . . . . 0.0 111.337 -177.046 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 27.6 ttt85 -63.27 -47.86 80.59 Favored 'General case' 0 C--O 1.236 0.39 0 CA-C-O 120.685 0.279 . . . . 0.0 110.652 178.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' SER . . . . . . . . . . . . . 26.6 t -59.57 -46.4 89.02 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.118 178.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 12' ' ' LYS . 88.9 mt -62.25 -46.1 90.35 Favored 'General case' 0 C--O 1.227 -0.096 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.658 -178.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.47 ' HG3' ' O ' ' A' ' 13' ' ' ILE . 79.4 mt-30 -59.51 -44.27 93.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.887 0.375 . . . . 0.0 111.023 -179.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLU . . . . . . . . . . . . . 44.7 tt0 -69.57 -39.11 77.56 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.748 179.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 tp-100 -62.05 -47.51 84.38 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.276 179.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 27.9 m-80 -59.16 -42.38 90.63 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.612 177.172 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 48.9 t80 -59.74 -46.65 88.49 Favored 'General case' 0 C--O 1.236 0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 109.968 178.762 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -60.67 -52.29 65.76 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.766 178.547 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 91.7 mt -57.78 -45.16 86.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.238 -177.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -58.15 -50.01 75.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.15 0.5 . . . . 0.0 111.132 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASN . . . . . 0.588 ' O ' ' HD3' ' A' ' 29' ' ' ARG . 39.2 m-80 -71.22 -37.12 72.05 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.023 -177.791 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -66.86 -44.36 81.18 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.061 -179.316 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 7.7 p -68.63 -30.89 48.81 Favored 'Isoleucine or valine' 0 CA--C 1.529 0.156 0 N-CA-C 110.093 -0.336 . . . . 0.0 110.093 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.04 -42.93 99.86 Favored 'General case' 0 C--O 1.236 0.346 0 CA-C-O 121.019 0.438 . . . . 0.0 110.39 175.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.588 ' HD3' ' O ' ' A' ' 25' ' ' ASN . 8.4 mpt_? -65.28 -42.59 93.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.424 176.585 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . . . . . . . . . 3.4 tt -64.98 -47.3 78.05 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.932 -0.576 . . . . 0.0 110.736 -178.025 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.512 ' HA ' HG12 ' A' ' 34' ' ' VAL . 55.5 pttt -63.99 -32.87 74.56 Favored 'General case' 0 N--CA 1.463 0.211 0 C-N-CA 120.855 -0.338 . . . . 0.0 110.45 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 59.9 tttp -65.52 -43.92 88.56 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.946 0.403 . . . . 0.0 110.08 175.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 55.0 tp -67.02 -46.71 73.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.816 -0.629 . . . . 0.0 111.175 -178.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.512 HG12 ' HA ' ' A' ' 31' ' ' LYS . 13.5 p -73.2 -35.69 47.93 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.255 0 CA-C-O 120.576 0.226 . . . . 0.0 111.521 -176.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . -75.19 -43.54 25.64 Favored Glycine 0 N--CA 1.449 -0.477 0 C-N-CA 120.902 -0.666 . . . . 0.0 112.357 -178.782 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 49.2 mt-10 61.89 -174.92 0.14 Allowed 'General case' 0 C--O 1.234 0.287 0 CA-C-O 121.483 0.659 . . . . 0.0 111.802 -179.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ARG . . . . . . . . . . . . . 43.5 ttt180 . . . . . 0 C--O 1.248 0.999 0 CA-C-N 115.229 -0.896 . . . . 0.0 108.909 175.553 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.754 0 N-CA-C 112.209 -0.356 . . . . 0.0 112.209 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ALA . . . . . . . . . . . . . . . -81.84 139.96 34.43 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-O 120.808 0.337 . . . . 0.0 111.001 -178.095 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' GLY . . . . . . . . . . . . . . . 124.24 158.1 9.98 Favored Glycine 0 N--CA 1.447 -0.618 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.157 179.156 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' SER . . . . . . . . . . . . . 4.5 p -74.6 -18.17 60.6 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 120.836 0.351 . . . . 0.0 111.444 -178.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' SER . . . . . . . . . . . . . 15.1 m -70.46 -63.28 1.12 Allowed 'General case' 0 N--CA 1.444 -0.739 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' SER . . . . . . . . . . . . . 5.9 p -58.39 -46.55 86.17 Favored 'General case' 0 C--O 1.214 -0.774 0 O-C-N 123.528 0.518 . . . . 0.0 110.721 -178.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' LEU . . . . . . . . . . . . . 59.3 tp -50.03 -58.68 4.98 Favored 'General case' 0 C--O 1.222 -0.374 0 O-C-N 123.808 0.693 . . . . 0.0 111.015 -177.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -68.3 -48.14 65.72 Favored 'General case' 0 N--CA 1.443 -0.785 0 O-C-N 123.37 0.419 . . . . 0.0 110.538 -175.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' ALA . . . . . . . . . . . . . . . -54.02 -52.0 62.21 Favored 'General case' 0 C--O 1.219 -0.503 0 O-C-N 123.672 0.607 . . . . 0.0 111.237 -176.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' VAL . . . . . . . . . . . . . 85.3 t -65.62 -54.71 25.08 Favored 'Isoleucine or valine' 0 N--CA 1.448 -0.562 0 O-C-N 123.357 0.411 . . . . 0.0 110.418 -177.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' ARG . . . . . . . . . . . . . 27.6 tpt180 -53.12 -47.55 68.56 Favored 'General case' 0 C--O 1.215 -0.718 0 O-C-N 123.449 0.468 . . . . 0.0 110.728 -176.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' ARG . . . . . . . . . . . . . 42.3 ttt180 -56.1 -42.33 76.62 Favored 'General case' 0 N--CA 1.444 -0.761 0 O-C-N 123.745 0.653 . . . . 0.0 111.019 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' LYS . . . . . . . . . . . . . 19.0 tptp -79.82 -48.22 13.9 Favored 'General case' 0 N--CA 1.441 -0.924 0 C-N-CA 121.211 -0.196 . . . . 0.0 110.498 -173.177 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ILE . . . . . 0.414 HD12 ' N ' ' B' ' 14' ' ' ARG . 2.9 pp -66.75 -29.97 48.14 Favored 'Isoleucine or valine' 0 C--O 1.211 -0.925 0 CA-C-O 119.62 -0.229 . . . . 0.0 111.27 -173.088 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' ARG . . . . . 0.414 ' N ' HD12 ' B' ' 13' ' ' ILE . 2.0 ptm180 -69.96 -28.99 66.01 Favored 'General case' 0 C--O 1.214 -0.798 0 N-CA-C 109.586 -0.524 . . . . 0.0 109.586 -178.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' SER . . . . . . . . . . . . . 46.9 t -71.95 -38.67 69.76 Favored 'General case' 0 N--CA 1.44 -0.961 0 N-CA-C 109.09 -0.707 . . . . 0.0 109.09 179.363 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LEU . . . . . . . . . . . . . 93.0 mt -60.9 -45.21 95.52 Favored 'General case' 0 C--O 1.217 -0.645 0 N-CA-C 109.557 -0.534 . . . . 0.0 109.557 177.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' GLN . . . . . . . . . . . . . 79.9 mt-30 -58.51 -41.74 86.1 Favored 'General case' 0 C--O 1.213 -0.854 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.315 178.474 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' GLU . . . . . . . . . . . . . 7.4 tm-20 -59.59 -53.19 60.89 Favored 'General case' 0 C--O 1.217 -0.65 0 N-CA-C 109.146 -0.687 . . . . 0.0 109.146 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 tt0 -56.58 -47.86 78.61 Favored 'General case' 0 C--O 1.214 -0.763 0 O-C-N 123.649 0.593 . . . . 0.0 110.405 -179.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -56.08 -55.3 34.55 Favored 'General case' 0 C--O 1.219 -0.517 0 O-C-N 123.478 0.487 . . . . 0.0 110.616 179.575 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' TYR . . . . . . . . . . . . . 90.2 t80 -58.02 -50.97 71.58 Favored 'General case' 0 N--CA 1.445 -0.695 0 O-C-N 123.852 0.72 . . . . 0.0 110.397 -178.469 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -58.2 -50.32 73.95 Favored 'General case' 0 C--O 1.215 -0.724 0 O-C-N 123.806 0.691 . . . . 0.0 110.353 -176.116 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' LEU . . . . . . . . . . . . . 79.6 mt -58.02 -53.92 52.83 Favored 'General case' 0 C--O 1.217 -0.631 0 O-C-N 123.455 0.472 . . . . 0.0 110.653 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' GLU . . . . . 0.492 ' HA ' HG12 ' B' ' 27' ' ' VAL . 37.1 tt0 -61.7 -43.78 98.2 Favored 'General case' 0 C--O 1.215 -0.722 0 O-C-N 123.513 0.508 . . . . 0.0 110.489 -175.111 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' ASN . . . . . . . . . . . . . 11.3 t30 -60.42 -49.73 76.42 Favored 'General case' 0 C--O 1.218 -0.586 0 O-C-N 123.575 0.547 . . . . 0.0 110.287 -179.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.45 -41.37 72.92 Favored 'General case' 0 N--CA 1.444 -0.76 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.296 -176.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.492 HG12 ' HA ' ' B' ' 24' ' ' GLU . 9.9 p -66.89 -32.7 59.19 Favored 'Isoleucine or valine' 0 C--O 1.214 -0.78 0 N-CA-C 109.681 -0.488 . . . . 0.0 109.681 -178.217 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' ALA . . . . . 0.668 ' HA ' ' HE2' ' B' ' 31' ' ' LYS . . . -63.3 -45.37 91.71 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 176.672 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ARG . . . . . . . . . . . . . 39.5 ttm-85 -57.42 -48.25 79.62 Favored 'General case' 0 C--O 1.215 -0.742 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.364 177.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LEU . . . . . 0.475 HD21 HG11 ' A' ' 34' ' ' VAL . 57.8 tp -61.51 -51.39 68.82 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.665 -0.698 . . . . 0.0 111.116 -176.466 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.668 ' HE2' ' HA ' ' B' ' 28' ' ' ALA . 62.1 pttt -64.55 -33.38 75.77 Favored 'General case' 0 C--O 1.211 -0.922 0 O-C-N 123.277 0.361 . . . . 0.0 110.14 -175.455 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' LYS . . . . . . . . . . . . . 23.5 tptm -70.97 -42.0 70.31 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.671 0.272 . . . . 0.0 110.358 177.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.5 tm? -58.84 -50.69 73.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.634 -177.531 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.78 -26.77 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.376 -176.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' GLY . . . . . . . . . . . . . . . -68.53 -29.83 72.99 Favored Glycine 0 N--CA 1.45 -0.413 0 C-N-CA 120.667 -0.778 . . . . 0.0 112.26 -179.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -91.77 124.76 36.14 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.998 0.428 . . . . 0.0 111.205 -178.005 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' ARG . . . . . . . . . . . . . 58.9 ttt-85 . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.413 -0.803 . . . . 0.0 109.726 174.307 . . . . . . . . 0 0 . 1 stop_ save_