data_2m59_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 2m59 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.9 p -52.51 -58.11 7.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -45.21 -38.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.8 -45.37 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.21 -49.68 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -53.24 -51.59 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mm -54.08 -51.78 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.63 -49.63 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -55.61 -49.24 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -37.92 94.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -37.07 74.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.13 85.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.9 t -62.85 -48.07 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.87 -40.01 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.43 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 tpp -62.21 -38.93 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -54.31 38.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.64 -40.52 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -60.05 -54.67 43.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.14 -49.11 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -40.7 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.71 -40.22 94.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.93 -50.07 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -56.68 -42.56 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.49 -48.71 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.91 -25.09 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -68.65 -53.43 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -33.67 76.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.874 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.8 p -51.69 -58.35 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -45.18 -37.89 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.07 -45.34 61.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -51.66 -48.03 63.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.41 -49.6 77.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 51.6 mt -53.6 -49.91 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 33.0 mm -55.38 -51.82 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -48.47 43.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 64.2 t -56.37 -49.38 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.8 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -36.68 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.75 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.44 -47.92 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.29 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.7 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.5 tpp -61.95 -38.89 90.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -54.75 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -52.24 -40.61 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -59.98 -54.94 40.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.78 -49.28 77.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -40.58 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.76 -40.23 94.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.13 -49.95 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.81 -42.42 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.53 -48.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.9 -25.02 66.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -68.77 -53.45 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -33.63 76.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 90.5 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.136 179.897 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -52.98 -58.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -44.57 -37.94 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.78 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.9 -47.82 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.76 -49.24 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.57 -49.65 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.9 -52.2 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -49.0 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.5 t -55.43 -49.75 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.24 96.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -36.4 77.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.77 78.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.0 -48.19 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -57.68 -41.65 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.5 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -45.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -53.18 61.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -51.58 -47.38 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.55 -53.5 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -49.79 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -41.17 73.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -60.51 -44.2 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.38 -48.36 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -58.76 -42.73 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.66 -46.5 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.39 -23.15 64.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -71.75 -51.56 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -33.19 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.876 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -53.4 -58.34 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.28 -46.73 60.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.83 -47.86 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.71 -49.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.29 -49.9 60.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 55.5 mt -54.76 -52.21 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -48.88 43.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 69.5 t -55.52 -49.69 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.07 -39.18 96.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -36.47 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 111.142 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.41 76.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.65 -47.76 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.9 mm -57.92 -42.17 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.03 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.51 92.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -50.84 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.47 -48.53 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.73 -53.11 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -40.24 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.56 -42.86 99.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.74 -47.97 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.77 -42.79 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.77 -44.74 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.46 -23.95 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -71.54 -50.97 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 83.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -51.99 -58.89 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -44.85 -38.02 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.57 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -50.93 -47.99 60.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.75 -49.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -53.77 -50.28 52.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.0 mt -54.72 -51.76 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.11 -48.68 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.5 t -56.12 -49.5 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.01 94.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -36.87 74.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.88 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.2 t -61.49 -49.04 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.09 -39.67 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.15 97.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.7 -39.06 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -54.3 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.88 -39.67 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -60.63 -54.91 39.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -49.44 75.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -39.6 78.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.46 -40.83 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.68 -49.09 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.99 -44.88 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.58 -46.73 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mt -66.21 -28.25 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.21 -51.28 55.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -33.92 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -52.06 -59.03 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.79 -38.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.51 -46.52 59.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -50.89 -48.0 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.87 -49.43 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.84 -50.24 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 63.2 mt -54.77 -51.71 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.19 -48.71 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.07 -49.51 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.87 94.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -36.77 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.74 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.62 -48.94 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.15 -39.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.04 97.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.81 -39.04 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -54.24 39.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.99 -39.58 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.65 -54.88 39.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -49.26 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -39.74 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.35 -40.85 97.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.68 -49.11 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.6 mt -57.0 -44.72 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 40.1 mt -60.61 -46.75 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.38 -28.09 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.26 -51.1 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 95.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.92 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -51.69 -58.74 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.08 -38.05 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.92 -45.48 61.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -51.52 -48.18 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.3 -49.5 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.8 mt -53.4 -50.82 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mm -54.86 -51.58 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.91 -48.71 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.5 t -56.33 -49.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.69 93.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -36.74 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.53 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.8 t -61.76 -48.7 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.87 -39.01 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.82 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 38.5 mtp -61.45 -39.39 90.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -53.51 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.79 -39.52 65.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -60.46 -54.65 43.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -49.34 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -39.6 77.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.4 -41.52 98.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.7 t -62.1 -48.87 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.7 mt -57.27 -45.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.0 -46.09 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.1 -28.38 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -68.26 -47.05 68.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -33.64 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.6 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.89 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.909 0.385 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.2 p -53.71 -58.59 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.06 -38.02 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.87 -45.65 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -51.39 -48.41 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.11 -49.36 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 53.1 mt -53.54 -50.88 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 32.3 mm -54.64 -51.59 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.01 -48.7 43.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 63.3 t -56.28 -49.12 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.9 94.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -36.81 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.48 79.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.79 -48.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.28 -39.07 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.37 96.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 39.0 mtp -61.71 -39.32 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -53.57 52.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -53.75 -39.53 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -60.56 -54.64 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 17.4 mt -62.74 -49.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -39.5 77.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 tp -62.54 -41.53 98.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.01 -48.89 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 51.0 mt -57.27 -45.51 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 44.9 mt -60.17 -45.98 95.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.16 -28.3 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.22 -47.21 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -33.61 75.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.968 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -51.67 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -44.65 -38.05 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.38 -46.77 59.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -50.71 -47.96 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.84 -49.62 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.75 -50.03 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.9 mt -54.88 -51.81 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.15 -48.88 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.0 t -55.8 -49.55 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.17 94.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.74 75.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.118 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.48 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.84 -48.33 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.35 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.3 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.22 -38.74 90.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.28 37.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.62 -40.32 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -60.36 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.76 -48.88 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -41.1 83.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.04 -50.69 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.33 -42.56 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.6 -48.37 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.22 -25.83 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -66.75 -55.55 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -33.72 76.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.92 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -51.71 -58.68 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -44.68 -37.98 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.44 -46.73 59.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -50.8 -47.82 59.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.89 -49.57 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mt -53.88 -50.04 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.82 -51.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -48.87 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.9 -49.6 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.19 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -36.89 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.23 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 68.5 t -62.03 -48.23 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.87 -40.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.06 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.31 -38.59 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -53.88 42.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.91 -40.45 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.3 -54.92 39.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.84 -48.97 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -41.16 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.91 -40.65 93.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.83 -50.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.2 mt -56.32 -42.45 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.62 -48.49 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.15 -25.94 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -66.63 -55.37 15.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 70.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -51.81 -58.94 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -44.81 -37.77 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.57 -46.78 58.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -50.86 -47.85 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.97 -49.23 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.17 -49.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.1 mt -55.15 -51.62 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -48.73 46.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -56.0 -49.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.25 94.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -36.81 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.12 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.08 -47.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.11 -41.45 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.0 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ttm -62.77 -39.76 95.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -54.54 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.39 -40.46 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -60.13 -55.15 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.62 -49.07 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -41.13 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.77 -40.91 94.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.72 -50.38 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.55 -42.0 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.87 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.77 -26.1 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -66.45 -54.89 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -33.3 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.898 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.2 p -51.73 -58.92 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -44.83 -37.82 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.47 -46.82 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -50.84 -47.85 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.96 -49.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.12 -49.7 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.6 mt -55.23 -51.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.26 -48.75 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 62.3 t -56.06 -49.2 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.42 -38.08 94.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -36.81 74.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.16 80.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.11 -47.66 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.01 -41.22 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.27 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.6 ttm -62.73 -39.53 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -54.76 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.29 -40.45 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -59.98 -55.19 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.68 -49.01 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -41.12 82.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.82 -41.03 94.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.6 -50.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.47 -42.22 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.7 -48.83 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.02 -25.53 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -66.91 -55.03 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -33.26 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 76.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.889 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.1 p -53.97 -58.9 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.88 -37.71 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.61 -46.62 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -51.01 -47.81 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.01 -49.12 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -54.21 -49.78 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.27 -51.64 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.17 -48.8 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.05 -49.16 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.04 94.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -36.65 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.117 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.74 82.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.38 -47.48 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.14 -41.03 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.41 98.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.71 -39.21 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -54.71 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.43 -40.14 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -60.28 -55.1 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.81 -49.05 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -40.9 81.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.9 -41.18 95.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.54 -50.45 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.36 -42.28 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.59 -48.58 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.6 -25.43 64.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.73 -55.22 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -33.85 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.1 p -54.18 -58.79 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.85 -37.75 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.56 -46.71 58.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -50.95 -47.84 61.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.04 -49.04 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.25 -49.88 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.4 mt -55.14 -51.71 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.17 -48.73 44.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.07 -49.24 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.07 94.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -36.68 75.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.72 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.37 -47.47 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -59.21 -41.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.33 99.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.79 -39.27 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -54.67 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.46 -40.2 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.32 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.88 -49.01 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -40.88 82.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.93 -41.21 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.55 -50.49 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.23 -42.34 73.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 51.9 mt -60.64 -48.59 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.52 -25.56 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.53 -55.24 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -33.75 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 76.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.5 p -53.63 -58.97 5.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.75 -38.04 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.54 -46.49 59.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.86 -48.2 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.83 -49.2 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -53.85 -50.25 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.6 mt -54.88 -51.89 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.76 -49.16 39.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.98 -48.88 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.65 -37.4 93.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -36.32 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -48.97 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.0 -50.2 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.15 -42.85 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.06 97.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.53 -36.05 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -58.58 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.33 -37.73 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -60.86 -58.52 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.92 -43.9 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -45.89 82.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.51 -37.75 84.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.19 -49.4 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.01 -43.16 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.48 -45.46 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.92 -25.19 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -69.73 -52.6 24.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.904 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -53.19 -58.9 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.79 -38.02 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 -46.42 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -50.97 -48.15 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.69 -49.28 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.76 -50.46 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 61.3 mt -54.68 -51.84 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.85 -48.93 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.17 -48.95 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.23 93.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.41 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.131 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.35 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.46 -50.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.31 -43.0 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.68 97.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 5.9 mmt -62.65 -36.12 81.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -58.48 5.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.52 -37.2 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -61.28 -58.5 8.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.1 -43.43 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -45.85 83.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.51 -38.11 86.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.85 -49.6 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.5 mt -58.88 -42.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.76 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.97 -25.02 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.78 -52.03 28.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.86 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 91.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.4 p -52.73 -58.6 6.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -45.03 -37.95 4.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.03 -45.46 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -51.55 -47.95 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.0 mp -65.51 -49.56 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.6 mt -53.68 -50.07 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mm -55.41 -51.52 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.87 -49.32 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.98 -49.25 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.34 93.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -36.75 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.06 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.7 -50.78 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.78 -42.12 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.41 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttm -61.47 -36.47 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -57.22 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.51 -39.45 57.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -59.86 -57.78 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.03 -44.73 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -44.62 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.26 -38.47 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.9 -48.56 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.52 -43.15 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.13 -45.14 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.95 -24.64 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -71.6 -50.8 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -33.73 76.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.915 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.8 p -52.88 -58.66 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -45.09 -37.91 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.09 -45.38 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.56 -47.96 63.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.49 -49.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 52.5 mt -53.56 -50.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 31.0 mm -55.29 -51.6 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.9 -49.16 41.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.11 -49.12 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.9 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.82 -50.76 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.87 -42.09 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.27 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.61 -36.37 80.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.67 -57.06 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.67 -39.41 58.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.82 -57.72 11.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.18 -44.9 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.08 -44.57 79.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.33 -38.65 90.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.77 -48.48 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.56 -43.24 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.86 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.97 -24.64 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -71.59 -50.82 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -53.22 -58.6 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.77 -38.05 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.5 -46.56 59.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -50.78 -47.86 59.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.08 -49.55 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.9 mt -53.78 -49.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.71 -51.35 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.21 -49.41 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -55.87 -49.2 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.35 93.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -36.78 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.88 82.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.64 -49.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.7 mm -56.51 -42.54 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.88 -36.31 80.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -57.65 8.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.49 -38.85 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -60.21 -57.84 11.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.24 -44.74 94.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -44.74 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 tp -62.24 -38.62 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.62 -48.35 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.86 -42.63 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.47 -45.39 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.35 -25.43 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -71.22 -50.03 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -33.67 76.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.938 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.861 0.362 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.7 p -53.83 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.81 -37.97 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.62 -46.48 59.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -50.92 -47.84 60.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.07 -49.55 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.76 -49.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.75 -51.48 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.04 -49.48 41.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.6 t -55.78 -49.32 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.49 94.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -36.93 73.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.87 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.6 t -62.63 -49.34 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.5 -42.81 76.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.73 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.9 mmt -61.88 -36.56 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -57.63 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.47 -38.77 55.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -60.29 -57.93 10.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.24 -44.51 95.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -44.7 80.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 4.8 tp -62.24 -38.59 89.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.7 -48.51 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.7 mt -59.65 -42.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.61 -45.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.37 -25.09 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -71.53 -50.07 34.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -33.44 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 86.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.889 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -61.23 -58.72 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 39.9 p -52.51 -58.11 7.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -45.21 -38.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.8 -45.37 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 27.7 mm-40 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.21 -49.68 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -53.24 -51.59 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.8 mm -54.08 -51.78 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.63 -49.63 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 63.2 t -55.61 -49.24 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -37.92 94.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -37.07 74.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.13 85.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.9 t -62.85 -48.07 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.87 -40.01 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.43 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 tpp -62.21 -38.93 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -54.31 38.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.64 -40.52 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -60.05 -54.67 43.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.14 -49.11 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -40.7 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.6 tp -61.71 -40.22 94.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.3 t -62.93 -50.07 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -56.68 -42.56 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 57.4 mt -61.49 -48.71 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.91 -25.09 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -68.65 -53.43 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -33.67 76.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 91.2 t -71.44 -38.73 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -73.18 -25.16 60.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -35.05 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.41 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -54.93 -34.48 63.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.6 -60.06 4.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.497 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -60.46 -59.09 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.8 p -51.69 -58.35 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -45.18 -37.89 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.07 -45.34 61.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 28.0 mm-40 -51.66 -48.03 63.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.41 -49.6 77.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 51.6 mt -53.6 -49.91 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 33.0 mm -55.38 -51.82 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.98 -48.47 43.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 64.2 t -56.37 -49.38 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.816 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.8 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -36.68 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.75 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 80.9 t -62.44 -47.92 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.29 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.7 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.5 tpp -61.95 -38.89 90.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -54.75 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -52.24 -40.61 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 3.2 t-105 -59.98 -54.94 40.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.78 -49.28 77.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.78 -40.58 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.5 tp -61.76 -40.23 94.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 69.8 t -63.13 -49.95 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.81 -42.42 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 58.8 mt -61.53 -48.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.9 -25.02 66.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -68.77 -53.45 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -33.63 76.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 90.5 t -71.2 -38.66 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -73.34 -25.36 60.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -35.22 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.51 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -55.16 -34.26 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.6 -60.09 4.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.541 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.407 ' H1 ' ' ND2' ' A' ' 4' ' ' ASN . 68.9 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -43.34 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.6 p -52.98 -58.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.407 ' ND2' ' H1 ' ' A' ' 1' ' ' GLU . 24.2 m-20 -44.57 -37.94 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.78 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.9 -47.82 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.76 -49.24 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.57 -49.65 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 57.7 mt -54.9 -52.2 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.07 -49.0 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 67.5 t -55.43 -49.75 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.24 96.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -36.4 77.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.77 78.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 86.2 t -61.0 -48.19 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -57.68 -41.65 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.5 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -45.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -53.18 61.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -51.58 -47.38 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.55 -53.5 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -49.79 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.78 -41.17 73.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 1.7 tp -60.51 -44.2 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.38 -48.36 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -58.76 -42.73 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.0 mt -61.66 -46.5 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.39 -23.15 64.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -71.75 -51.56 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -33.19 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 82.2 t -74.44 -38.47 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -73.21 -24.58 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -36.53 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.87 83.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -53.24 -28.99 30.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.71 61.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.488 -179.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . 0.416 ' H1 ' ' ND2' ' B' ' 104' ' ' ASN . 68.8 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -43.09 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -53.4 -58.34 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . 0.416 ' ND2' ' H1 ' ' B' ' 101' ' ' GLU . 23.2 m-20 -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.28 -46.73 60.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.83 -47.86 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.71 -49.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.29 -49.9 60.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 55.5 mt -54.76 -52.21 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -48.88 43.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 69.5 t -55.52 -49.69 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.07 -39.18 96.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -36.47 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 111.142 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.41 76.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.5 t -60.65 -47.76 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.9 mm -57.92 -42.17 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.03 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.51 92.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -50.84 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.47 -48.53 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.73 -53.11 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -55.92 -40.24 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 2.5 tp -61.56 -42.86 99.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.74 -47.97 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.77 -42.79 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 85.1 mt -61.77 -44.74 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.46 -23.95 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -71.54 -50.97 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 83.6 t -74.92 -38.63 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -72.26 -24.91 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -37.79 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.15 83.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.48 -29.68 37.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 143.62 62.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -72.61 -41.45 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -51.99 -58.89 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -44.85 -38.02 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.57 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 16.3 mm-40 -50.93 -47.99 60.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.75 -49.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -53.77 -50.28 52.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.0 mt -54.72 -51.76 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.11 -48.68 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.886 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.5 t -56.12 -49.5 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.01 94.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -36.87 74.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.88 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.2 t -61.49 -49.04 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.09 -39.67 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.15 97.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.7 -39.06 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -54.3 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.88 -39.67 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.8 t-105 -60.63 -54.91 39.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -49.44 75.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.85 -39.6 78.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.3 tp -62.46 -40.83 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.9 t -62.68 -49.09 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.99 -44.88 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 39.6 mt -60.58 -46.73 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.3 mt -66.21 -28.25 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.21 -51.28 55.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -33.92 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 93.9 t -71.25 -39.74 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -25.4 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.49 -34.14 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.07 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.96 -32.2 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.7 -37.33 52.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.482 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -73.03 -41.32 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -52.06 -59.03 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.79 -38.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.51 -46.52 59.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 16.5 mm-40 -50.89 -48.0 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.87 -49.43 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.84 -50.24 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 63.2 mt -54.77 -51.71 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.19 -48.71 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.07 -49.51 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.87 94.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -36.77 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.74 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 75.4 t -61.62 -48.94 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.15 -39.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.04 97.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.81 -39.04 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -54.24 39.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.99 -39.58 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.65 -54.88 39.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -49.26 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -39.74 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 10.2 tp -62.35 -40.85 97.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.5 t -62.68 -49.11 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.6 mt -57.0 -44.72 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 40.1 mt -60.61 -46.75 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 7.2 mt -66.38 -28.09 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.26 -51.1 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 95.4 t -71.19 -39.62 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.73 -34.25 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.92 70.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.53 -32.22 73.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.29 48.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -38.18 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -51.69 -58.74 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.08 -38.05 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.92 -45.48 61.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 38.9 mm-40 -51.52 -48.18 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.3 -49.5 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.8 mt -53.4 -50.82 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 32.1 mm -54.86 -51.58 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -48.91 -48.71 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.5 t -56.33 -49.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.69 93.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -36.74 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.53 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 81.8 t -61.76 -48.7 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.87 -39.01 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.82 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 38.5 mtp -61.45 -39.39 90.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -53.51 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.79 -39.52 65.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -60.46 -54.65 43.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -49.34 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.81 -39.6 77.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 6.8 tp -62.4 -41.52 98.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.7 t -62.1 -48.87 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.118 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.7 mt -57.27 -45.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 44.2 mt -60.0 -46.09 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.1 -28.38 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -68.26 -47.05 68.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -33.64 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 96.6 t -68.4 -39.91 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -77.16 -24.69 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -72.23 -32.23 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.47 -32.62 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.15 -35.71 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.36 62.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.508 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.92 0.391 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.2 p -53.71 -58.59 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.06 -38.02 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.87 -45.65 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -51.39 -48.41 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.11 -49.36 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 53.1 mt -53.54 -50.88 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 32.3 mm -54.64 -51.59 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.01 -48.7 43.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 63.3 t -56.28 -49.12 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.9 94.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -36.81 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.48 79.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 81.9 t -61.79 -48.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.28 -39.07 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.37 96.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 39.0 mtp -61.71 -39.32 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -53.57 52.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -53.75 -39.53 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 3.1 t-105 -60.56 -54.64 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 17.4 mt -62.74 -49.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.7 -39.5 77.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 6.9 tp -62.54 -41.53 98.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 76.0 t -62.01 -48.89 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 51.0 mt -57.27 -45.51 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 44.9 mt -60.17 -45.98 95.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.3 mt -66.16 -28.3 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.22 -47.21 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -33.61 75.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 96.8 t -68.48 -39.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -77.11 -24.76 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -72.18 -31.99 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.02 -32.65 72.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.5 -35.74 72.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 152.35 62.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.961 0.41 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.06 -36.8 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.7 p -51.67 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -44.65 -38.05 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.38 -46.77 59.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 48.8 mm-40 -50.71 -47.96 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.84 -49.62 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.75 -50.03 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 59.9 mt -54.88 -51.81 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.15 -48.88 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.0 t -55.8 -49.55 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.798 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.17 94.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.74 75.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.118 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.48 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.6 t -61.84 -48.33 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.35 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.3 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.22 -38.74 90.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.28 37.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.62 -40.32 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 3.5 t-105 -60.36 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.76 -48.88 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -41.1 83.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.8 tp -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 98.1 t -63.04 -50.69 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.33 -42.56 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 53.6 mt -60.6 -48.37 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.22 -25.83 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -66.75 -55.55 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -33.72 76.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 68.8 t -73.78 -37.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -73.57 -24.69 60.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -37.41 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.04 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.09 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.94 -73.22 1.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.478 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 -36.9 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.4 p -51.71 -58.68 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -44.68 -37.98 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.44 -46.73 59.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -50.8 -47.82 59.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.89 -49.57 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mt -53.88 -50.04 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 61.0 mt -54.82 -51.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.03 -48.87 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 68.5 t -55.9 -49.6 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.19 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -36.89 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.23 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 68.5 t -62.03 -48.23 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.87 -40.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.06 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.31 -38.59 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -53.88 42.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.91 -40.45 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 3.7 t-105 -60.3 -54.92 39.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.84 -48.97 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.13 -41.16 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.9 tp -60.91 -40.65 93.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 98.2 t -62.83 -50.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.2 mt -56.32 -42.45 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 52.9 mt -60.62 -48.49 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.15 -25.94 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -66.63 -55.37 15.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 70.8 t -73.62 -37.07 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -73.66 -24.71 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -37.35 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.28 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.9 -30.95 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.82 -73.47 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.925 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.925 0.393 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -117.71 -69.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.2 p -51.81 -58.94 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -44.81 -37.77 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.57 -46.78 58.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -50.86 -47.85 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.97 -49.23 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.17 -49.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.1 mt -55.15 -51.62 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.33 -48.73 46.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.901 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.7 t -56.0 -49.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.25 94.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -36.81 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.12 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 68.2 t -62.08 -47.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.11 -41.45 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.0 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ttm -62.77 -39.76 95.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -54.54 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.39 -40.46 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -60.13 -55.15 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.62 -49.07 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -41.13 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 13.2 tp -60.77 -40.91 94.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 96.2 t -62.72 -50.38 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.55 -42.0 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 54.4 mt -60.87 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.77 -26.1 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -66.45 -54.89 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -33.3 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.8 t -73.94 -37.4 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -73.95 -24.38 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -70.57 -36.58 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.03 83.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -26.89 65.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.84 -58.07 5.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.488 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -117.76 -69.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.2 p -51.73 -58.92 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -44.83 -37.82 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.47 -46.82 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 46.9 mm-40 -50.84 -47.85 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.8 mp -64.96 -49.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.12 -49.7 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.6 mt -55.23 -51.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.26 -48.75 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.919 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 62.3 t -56.06 -49.2 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.42 -38.08 94.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -36.81 74.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.16 80.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 70.1 t -62.11 -47.66 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.01 -41.22 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.27 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.6 ttm -62.73 -39.53 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -54.76 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.29 -40.45 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -59.98 -55.19 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.68 -49.01 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.95 -41.12 82.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.6 tp -60.82 -41.03 94.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.6 -50.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.47 -42.22 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 53.1 mt -60.7 -48.83 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.02 -25.53 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -66.91 -55.03 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -33.26 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 76.1 t -74.15 -37.43 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -73.97 -24.63 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -70.21 -36.92 74.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.88 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -26.23 65.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.14 -58.04 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.38 -40.96 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 41.1 p -53.97 -58.9 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.88 -37.71 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.61 -46.62 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -51.01 -47.81 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.01 -49.12 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -54.21 -49.78 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 56.9 mt -55.27 -51.64 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.17 -48.8 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.05 -49.16 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.04 94.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -36.65 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.117 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.74 82.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 93.2 t -62.38 -47.48 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.14 -41.03 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.41 98.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.71 -39.21 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -54.71 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.43 -40.14 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -60.28 -55.1 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.81 -49.05 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.01 -40.9 81.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.9 tp -60.9 -41.18 95.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.54 -50.45 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.36 -42.28 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 52.2 mt -60.59 -48.58 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.6 -25.43 64.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.73 -55.22 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -33.85 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 76.0 t -73.53 -36.18 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -74.56 -25.15 59.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -71.68 -33.7 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.79 47.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -69.61 -26.68 64.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 -38.06 3.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.489 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.974 0.416 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -80.4 -41.0 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 41.1 p -54.18 -58.79 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.85 -37.75 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.56 -46.71 58.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -50.95 -47.84 61.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.04 -49.04 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.25 -49.88 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 56.4 mt -55.14 -51.71 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -49.17 -48.73 44.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 62.1 t -56.07 -49.24 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.07 94.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -36.68 75.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.72 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 91.3 t -62.37 -47.47 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -59.21 -41.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.33 99.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.79 -39.27 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -54.67 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.46 -40.2 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -60.32 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.88 -49.01 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -58.07 -40.88 82.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 13.0 tp -60.93 -41.21 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.55 -50.49 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.23 -42.34 73.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 51.9 mt -60.64 -48.59 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.52 -25.56 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.53 -55.24 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -33.75 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 76.7 t -73.6 -36.2 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -74.29 -25.52 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -71.07 -34.27 71.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.26 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -69.03 -26.22 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -100.34 -37.96 3.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.949 0.404 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -126.98 -70.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.5 p -53.63 -58.97 5.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.75 -38.04 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.54 -46.49 59.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 13.4 mm-40 -50.86 -48.2 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.83 -49.2 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -53.85 -50.25 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 63.6 mt -54.88 -51.89 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.76 -49.16 39.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.98 -48.88 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.65 -37.4 93.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -36.32 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -48.97 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.0 -50.2 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.15 -42.85 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.06 97.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.53 -36.05 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -58.58 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.33 -37.73 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 11.2 t-105 -60.86 -58.52 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.92 -43.9 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.83 -45.89 82.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.3 tp -61.51 -37.75 84.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.5 t -61.19 -49.4 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.01 -43.16 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 92.1 mt -61.48 -45.46 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.92 -25.19 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -69.73 -52.6 24.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 85.2 t -74.66 -38.96 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -23.0 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -37.12 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.84 79.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.32 -29.74 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.96 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.509 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -126.68 -70.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.6 p -53.19 -58.9 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.79 -38.02 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 -46.42 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 13.2 mm-40 -50.97 -48.15 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -64.69 -49.28 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.76 -50.46 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 61.3 mt -54.68 -51.84 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.85 -48.93 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.17 -48.95 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.23 93.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.41 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.131 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.35 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.46 -50.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.31 -43.0 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.68 97.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 5.9 mmt -62.65 -36.12 81.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -58.48 5.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.52 -37.2 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 11.3 t-105 -61.28 -58.5 8.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.1 -43.43 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.09 -45.85 83.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 5.2 tp -61.51 -38.11 86.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 78.5 t -60.85 -49.6 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.5 mt -58.88 -42.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 94.4 mt -61.76 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.97 -25.02 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.78 -52.03 28.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.86 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 91.4 t -74.6 -38.84 46.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -23.47 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -37.63 69.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.73 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.13 -28.96 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.57 -52.02 3.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -35.09 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.4 p -52.73 -58.6 6.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -45.03 -37.95 4.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.03 -45.46 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -51.55 -47.95 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 4.0 mp -65.51 -49.56 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.6 mt -53.68 -50.07 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.2 mm -55.41 -51.52 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.87 -49.32 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.98 -49.25 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.34 93.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -36.75 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.06 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.7 -50.78 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.78 -42.12 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.41 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttm -61.47 -36.47 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -57.22 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.51 -39.45 57.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -59.86 -57.78 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.03 -44.73 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -44.62 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 5.0 tp -62.26 -38.47 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.9 -48.56 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.52 -43.15 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 97.7 mt -62.13 -45.14 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.95 -24.64 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -71.6 -50.8 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -33.73 76.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 90.7 t -71.91 -39.01 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.8 -25.56 61.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -33.55 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.74 63.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.47 -31.99 48.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.63 57.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.491 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.945 0.402 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -34.02 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.8 p -52.88 -58.66 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -45.09 -37.91 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.09 -45.38 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -51.56 -47.96 63.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.49 -49.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 52.5 mt -53.56 -50.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 31.0 mm -55.29 -51.6 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -48.9 -49.16 41.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.11 -49.12 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.9 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.82 -50.76 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.87 -42.09 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.27 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.61 -36.37 80.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.67 -57.06 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.67 -39.41 58.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.82 -57.72 11.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.18 -44.9 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.08 -44.57 79.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.85 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 4.9 tp -62.33 -38.65 90.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.77 -48.48 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.56 -43.24 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 97.5 mt -61.86 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.97 -24.64 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -71.59 -50.82 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 90.0 t -71.95 -39.1 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.69 -25.61 61.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -33.66 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.26 -36.66 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -53.54 -31.91 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 143.74 57.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.508 -179.86 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.951 0.405 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -42.35 97.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' THR . . . . . . . . . . . . . 40.8 p -53.22 -58.6 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.77 -38.05 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.5 -46.56 59.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -50.78 -47.86 59.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.08 -49.55 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.9 mt -53.78 -49.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 69.3 mt -55.71 -51.35 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.21 -49.41 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 64.3 t -55.87 -49.2 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.35 93.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -36.78 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.88 82.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 76.2 t -62.64 -49.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.7 mm -56.51 -42.54 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.88 -36.31 80.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -57.65 8.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.49 -38.85 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -60.21 -57.84 11.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.24 -44.74 94.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.27 -44.74 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 4.8 tp -62.24 -38.62 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 76.6 t -60.62 -48.35 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.86 -42.63 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.47 -45.39 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.35 -25.43 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -71.22 -50.03 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -33.67 76.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' VAL . . . . . . . . . . . . . 87.7 t -69.98 -39.17 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -73.36 -26.63 61.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -31.85 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.94 -34.9 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.49 -33.72 55.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.29 -58.39 2.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.533 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -42.51 98.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' THR . . . . . . . . . . . . . 40.7 p -53.83 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.81 -37.97 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.62 -46.48 59.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -50.92 -47.84 60.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ILE . . . . . . . . . . . . . 3.9 mp -65.07 -49.55 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.76 -49.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ILE . . . . . . . . . . . . . 70.3 mt -55.75 -51.48 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 110' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -49.04 -49.48 41.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.6 t -55.78 -49.32 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.49 94.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -36.93 73.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.87 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.6 t -62.63 -49.34 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.5 -42.81 76.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.73 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.9 mmt -61.88 -36.56 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -57.63 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.47 -38.77 55.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -60.29 -57.93 10.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.24 -44.51 95.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 123' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -56.49 -44.7 80.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 124' ' ' LEU . . . . . . . . . . . . . 4.8 tp -62.24 -38.59 89.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.7 -48.51 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.7 mt -59.65 -42.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 127' ' ' ILE . . . . . . . . . . . . . 93.9 mt -62.61 -45.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.37 -25.09 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -71.53 -50.07 34.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -33.44 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 131' ' ' VAL . . . . . . . . . . . . . 86.1 t -69.95 -39.16 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -73.57 -26.59 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -31.75 70.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.32 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.99 -33.39 56.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -84.47 -58.18 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.633 ' O ' HD12 ' A' ' 7' ' ' ILE . 39.9 p -52.51 -58.11 7.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -45.21 -38.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.8 -45.37 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 10' ' ' LEU . 27.7 mm-40 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.21 -49.68 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -53.24 -51.59 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.002 HG21 HD11 ' B' ' 110' ' ' LEU . 32.8 mm -54.08 -51.78 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.028 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.63 -49.63 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 15' ' ' VAL . 63.2 t -55.61 -49.24 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -37.92 94.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -37.07 74.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.13 85.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 11' ' ' VAL . 79.9 t -62.85 -48.07 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.87 -40.01 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.43 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 tpp -62.21 -38.93 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -54.31 38.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.64 -40.52 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.463 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 t-105 -60.05 -54.67 43.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.14 -49.11 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.822 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.95 -40.7 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.6 tp -61.71 -40.22 94.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' TRP . 69.3 t -62.93 -50.07 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -56.68 -42.56 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.4 mt -61.49 -48.71 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.91 -25.09 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -68.65 -53.43 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -33.67 76.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 27' ' ' ILE . 91.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.628 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.8 p -51.69 -58.35 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -45.18 -37.89 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.07 -45.34 61.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.412 ' O ' HD23 ' B' ' 110' ' ' LEU . 28.0 mm-40 -51.66 -48.03 63.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.628 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.41 -49.6 77.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 51.6 mt -53.6 -49.91 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.028 HG21 HD11 ' A' ' 10' ' ' LEU . 33.0 mm -55.38 -51.82 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 1.002 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.98 -48.47 43.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 115' ' ' VAL . 64.2 t -56.37 -49.38 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.8 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -36.68 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.75 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 111' ' ' VAL . 80.9 t -62.44 -47.92 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.29 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.7 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.5 tpp -61.95 -38.89 90.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -54.75 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -52.24 -40.61 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 121' ' ' TRP . . . . . 0.44 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.2 t-105 -59.98 -54.94 40.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.78 -49.28 77.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.808 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.78 -40.58 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.822 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.5 tp -61.76 -40.23 94.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 121' ' ' TRP . 69.8 t -63.13 -49.95 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.81 -42.42 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.588 ' O ' HG23 ' B' ' 131' ' ' VAL . 58.8 mt -61.53 -48.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.9 -25.02 66.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -68.77 -53.45 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -33.63 76.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 127' ' ' ILE . 90.5 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.635 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.6 p -52.98 -58.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -44.57 -37.94 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.78 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.9 -47.82 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.76 -49.24 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.57 -49.65 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.982 HG21 HD11 ' B' ' 110' ' ' LEU . 57.7 mt -54.9 -52.2 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.014 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.07 -49.0 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 15' ' ' VAL . 67.5 t -55.43 -49.75 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.24 96.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -36.4 77.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.77 78.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 11' ' ' VAL . 86.2 t -61.0 -48.19 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -57.68 -41.65 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.5 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -45.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -53.18 61.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -51.58 -47.38 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.55 -53.5 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -49.79 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 1.087 HD21 HD11 ' B' ' 124' ' ' LEU . 0.0 OUTLIER -55.78 -41.17 73.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 1.137 HD11 HD21 ' B' ' 123' ' ' LEU . 1.7 tp -60.51 -44.2 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.38 -48.36 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -58.76 -42.73 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.809 HG21 HG21 ' B' ' 127' ' ' ILE . 92.0 mt -61.66 -46.5 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.39 -23.15 64.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -71.75 -51.56 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -33.19 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 27' ' ' ILE . 82.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.632 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.4 p -53.4 -58.34 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.28 -46.73 60.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 110' ' ' LEU . 24.7 mm-40 -50.83 -47.86 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.632 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.71 -49.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.29 -49.9 60.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.014 HG21 HD11 ' A' ' 10' ' ' LEU . 55.5 mt -54.76 -52.21 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.03 -48.88 43.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.409 ' O ' HG23 ' B' ' 115' ' ' VAL . 69.5 t -55.52 -49.69 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.07 -39.18 96.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -36.47 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 111.142 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.41 76.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 111' ' ' VAL . 84.5 t -60.65 -47.76 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.9 mm -57.92 -42.17 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.03 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.51 92.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -50.84 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.47 -48.53 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.73 -53.11 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 1.137 HD21 HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -55.92 -40.24 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 1.087 HD11 HD21 ' A' ' 23' ' ' LEU . 2.5 tp -61.56 -42.86 99.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.74 -47.97 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.77 -42.79 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.809 HG21 HG21 ' A' ' 27' ' ' ILE . 85.1 mt -61.77 -44.74 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.46 -23.95 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -71.54 -50.97 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 127' ' ' ILE . 83.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.7 p -51.99 -58.89 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -44.85 -38.02 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.57 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HD23 ' A' ' 10' ' ' LEU . 16.3 mm-40 -50.93 -47.99 60.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.75 -49.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -53.77 -50.28 52.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.968 HG21 HD11 ' B' ' 110' ' ' LEU . 63.0 mt -54.72 -51.76 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.985 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.11 -48.68 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 15' ' ' VAL . 65.5 t -56.12 -49.5 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.01 94.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -36.87 74.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.88 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 11' ' ' VAL . 76.2 t -61.49 -49.04 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.09 -39.67 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.15 97.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.7 -39.06 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -54.3 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.88 -39.67 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.8 t-105 -60.63 -54.91 39.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -49.44 75.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.85 -39.6 78.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.789 ' CD1' HD21 ' B' ' 123' ' ' LEU . 10.3 tp -62.46 -40.83 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.9 t -62.68 -49.09 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.99 -44.88 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 31' ' ' VAL . 39.6 mt -60.58 -46.73 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD11 ' HG ' ' A' ' 24' ' ' LEU . 7.3 mt -66.21 -28.25 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.21 -51.28 55.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -33.92 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 27' ' ' ILE . 93.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.634 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.6 p -52.06 -59.03 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.79 -38.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.51 -46.52 59.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.404 ' O ' HD23 ' B' ' 110' ' ' LEU . 16.5 mm-40 -50.89 -48.0 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.634 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.87 -49.43 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.84 -50.24 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.985 HG21 HD11 ' A' ' 10' ' ' LEU . 63.2 mt -54.77 -51.71 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.968 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.19 -48.71 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.413 ' O ' HG23 ' B' ' 115' ' ' VAL . 65.1 t -56.07 -49.51 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.87 94.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -36.77 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.74 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 111' ' ' VAL . 75.4 t -61.62 -48.94 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.15 -39.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.04 97.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.81 -39.04 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -54.24 39.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.99 -39.58 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 121' ' ' TRP . . . . . 0.423 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.7 t-105 -60.65 -54.88 39.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -49.26 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.95 -39.74 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.805 ' CD1' HD21 ' A' ' 23' ' ' LEU . 10.2 tp -62.35 -40.85 97.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 121' ' ' TRP . 76.5 t -62.68 -49.11 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.6 mt -57.0 -44.72 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.615 ' O ' HG23 ' B' ' 131' ' ' VAL . 40.1 mt -60.61 -46.75 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' B' ' 124' ' ' LEU . 7.2 mt -66.38 -28.09 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.26 -51.1 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.615 HG23 ' O ' ' B' ' 127' ' ' ILE . 95.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.63 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.2 p -51.69 -58.74 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.08 -38.05 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.92 -45.48 61.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 10' ' ' LEU . 38.9 mm-40 -51.52 -48.18 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.3 -49.5 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.8 mt -53.4 -50.82 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.016 HG21 HD11 ' B' ' 110' ' ' LEU . 32.1 mm -54.86 -51.58 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.018 HD11 HG21 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -48.91 -48.71 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.5 t -56.33 -49.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.69 93.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -36.74 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.53 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' VAL . 81.8 t -61.76 -48.7 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.87 -39.01 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.82 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 38.5 mtp -61.45 -39.39 90.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -53.51 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.79 -39.52 65.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 t-105 -60.46 -54.65 43.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -49.34 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.81 -39.6 77.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' B' ' 123' ' ' LEU . 6.8 tp -62.4 -41.52 98.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.7 t -62.1 -48.87 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.7 mt -57.27 -45.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . 44.2 mt -60.0 -46.09 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD11 ' HG ' ' A' ' 24' ' ' LEU . 8.4 mt -66.1 -28.38 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -68.26 -47.05 68.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -33.64 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 27' ' ' ILE . 96.6 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.909 0.385 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.2 p -53.71 -58.59 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.06 -38.02 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.87 -45.65 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.415 ' O ' HD23 ' B' ' 110' ' ' LEU . 39.6 mm-40 -51.39 -48.41 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.11 -49.36 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 53.1 mt -53.54 -50.88 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.018 HG21 HD11 ' A' ' 10' ' ' LEU . 32.3 mm -54.64 -51.59 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 1.016 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.01 -48.7 43.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.424 ' O ' HG23 ' B' ' 115' ' ' VAL . 63.3 t -56.28 -49.12 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.9 94.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -36.81 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.48 79.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 111' ' ' VAL . 81.9 t -61.79 -48.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.28 -39.07 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.37 96.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 39.0 mtp -61.71 -39.32 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -53.57 52.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -53.75 -39.53 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 121' ' ' TRP . . . . . 0.424 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.1 t-105 -60.56 -54.64 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 17.4 mt -62.74 -49.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.791 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.7 -39.5 77.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.793 ' CD1' HD21 ' A' ' 23' ' ' LEU . 6.9 tp -62.54 -41.53 98.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 121' ' ' TRP . 76.0 t -62.01 -48.89 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 51.0 mt -57.27 -45.51 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.635 ' O ' HG23 ' B' ' 131' ' ' VAL . 44.9 mt -60.17 -45.98 95.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 128' ' ' LEU . . . . . 0.426 HD11 ' HG ' ' B' ' 124' ' ' LEU . 8.3 mt -66.16 -28.3 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.22 -47.21 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -33.61 75.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 31' ' ' VAL . 96.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.7 p -51.67 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -44.65 -38.05 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.38 -46.77 59.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' O ' HD23 ' A' ' 10' ' ' LEU . 48.8 mm-40 -50.71 -47.96 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.84 -49.62 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.75 -50.03 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.979 HG21 HD11 ' B' ' 110' ' ' LEU . 59.9 mt -54.88 -51.81 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.997 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.15 -48.88 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 15' ' ' VAL . 68.0 t -55.8 -49.55 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.17 94.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.74 75.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.118 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.48 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 11' ' ' VAL . 68.6 t -61.84 -48.33 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.35 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.3 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.22 -38.74 90.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.28 37.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.62 -40.32 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.5 t-105 -60.36 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.76 -48.88 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.811 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -58.16 -41.1 83.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.798 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.8 tp -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 21' ' ' TRP . 98.1 t -63.04 -50.69 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.33 -42.56 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG21 HG21 ' B' ' 127' ' ' ILE . 53.6 mt -60.6 -48.37 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.22 -25.83 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -66.75 -55.55 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -33.72 76.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 27' ' ' ILE . 68.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.627 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.4 p -51.71 -58.68 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -44.68 -37.98 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.44 -46.73 59.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.401 ' O ' HD23 ' B' ' 110' ' ' LEU . 48.4 mm-40 -50.8 -47.82 59.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.627 HD12 ' O ' ' B' ' 103' ' ' THR . 3.8 mp -64.89 -49.57 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mt -53.88 -50.04 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.997 HG21 HD11 ' A' ' 10' ' ' LEU . 61.0 mt -54.82 -51.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.979 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.03 -48.87 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.428 ' O ' HG23 ' B' ' 115' ' ' VAL . 68.5 t -55.9 -49.6 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.19 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -36.89 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.23 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 111' ' ' VAL . 68.5 t -62.03 -48.23 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.87 -40.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.06 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.31 -38.59 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -53.88 42.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.91 -40.45 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 121' ' ' TRP . . . . . 0.516 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.7 t-105 -60.3 -54.92 39.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.84 -48.97 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.13 -41.16 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.811 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.9 tp -60.91 -40.65 93.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 121' ' ' TRP . 98.2 t -62.83 -50.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.2 mt -56.32 -42.45 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.569 HG21 HG21 ' A' ' 27' ' ' ILE . 52.9 mt -60.62 -48.49 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.15 -25.94 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -66.63 -55.37 15.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 127' ' ' ILE . 70.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.2 p -51.81 -58.94 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -44.81 -37.77 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.57 -46.78 58.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' HD23 ' A' ' 10' ' ' LEU . 46.4 mm-40 -50.86 -47.85 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 3' ' ' THR . 3.8 mp -64.97 -49.23 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.17 -49.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.981 HG21 HD11 ' B' ' 110' ' ' LEU . 56.1 mt -55.15 -51.62 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.0 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.33 -48.73 46.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.7 t -56.0 -49.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.25 94.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -36.81 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.12 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 11' ' ' VAL . 68.2 t -62.08 -47.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.11 -41.45 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.0 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ttm -62.77 -39.76 95.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -54.54 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.39 -40.46 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.501 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 t-105 -60.13 -55.15 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.62 -49.07 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.95 -41.13 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.2 tp -60.77 -40.91 94.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 21' ' ' TRP . 96.2 t -62.72 -50.38 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.55 -42.0 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.58 HG21 HG21 ' B' ' 127' ' ' ILE . 54.4 mt -60.87 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.77 -26.1 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -66.45 -54.89 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -33.3 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 27' ' ' ILE . 76.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.635 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.2 p -51.73 -58.92 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -44.83 -37.82 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.47 -46.82 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 110' ' ' LEU . 46.9 mm-40 -50.84 -47.85 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.635 HD12 ' O ' ' B' ' 103' ' ' THR . 3.8 mp -64.96 -49.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.12 -49.7 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.0 HG21 HD11 ' A' ' 10' ' ' LEU . 56.6 mt -55.23 -51.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.981 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.26 -48.75 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.439 ' O ' HG23 ' B' ' 115' ' ' VAL . 62.3 t -56.06 -49.2 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.42 -38.08 94.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -36.81 74.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.16 80.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 111' ' ' VAL . 70.1 t -62.11 -47.66 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.01 -41.22 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.27 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.6 ttm -62.73 -39.53 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -54.76 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.29 -40.45 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 121' ' ' TRP . . . . . 0.497 ' O ' HG23 ' B' ' 125' ' ' VAL . 4.0 t-105 -59.98 -55.19 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.68 -49.01 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.801 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.95 -41.12 82.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.6 tp -60.82 -41.03 94.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 121' ' ' TRP . 97.3 t -62.6 -50.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.47 -42.22 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.58 HG21 HG21 ' A' ' 27' ' ' ILE . 53.1 mt -60.7 -48.83 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.02 -25.53 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -66.91 -55.03 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -33.26 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 127' ' ' ILE . 76.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.1 p -53.97 -58.9 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.88 -37.71 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.61 -46.62 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 10' ' ' LEU . 28.2 mm-40 -51.01 -47.81 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.01 -49.12 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -54.21 -49.78 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.983 HG21 HD11 ' B' ' 110' ' ' LEU . 56.9 mt -55.27 -51.64 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.008 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.17 -48.8 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.1 t -56.05 -49.16 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.04 94.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -36.65 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.117 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.74 82.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' VAL . 93.2 t -62.38 -47.48 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.14 -41.03 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.41 98.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.71 -39.21 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -54.71 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.43 -40.14 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.5 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 t-105 -60.28 -55.1 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.81 -49.05 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.797 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -58.01 -40.9 81.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.79 ' CD1' HD21 ' B' ' 123' ' ' LEU . 12.9 tp -60.9 -41.18 95.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' TRP . 97.0 t -62.54 -50.45 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.36 -42.28 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 127' ' ' ILE . 52.2 mt -60.59 -48.58 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.6 -25.43 64.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.73 -55.22 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -33.85 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 27' ' ' ILE . 76.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.1 p -54.18 -58.79 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.85 -37.75 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.56 -46.71 58.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.406 ' O ' HD23 ' B' ' 110' ' ' LEU . 28.3 mm-40 -50.95 -47.84 61.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.04 -49.04 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.25 -49.88 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.008 HG21 HD11 ' A' ' 10' ' ' LEU . 56.4 mt -55.14 -51.71 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.983 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.17 -48.73 44.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.422 ' O ' HG23 ' B' ' 115' ' ' VAL . 62.1 t -56.07 -49.24 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.07 94.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -36.68 75.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.72 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 111' ' ' VAL . 91.3 t -62.37 -47.47 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -59.21 -41.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.33 99.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.79 -39.27 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -54.67 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.46 -40.2 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 121' ' ' TRP . . . . . 0.492 ' O ' HG23 ' B' ' 125' ' ' VAL . 4.1 t-105 -60.32 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.88 -49.01 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.79 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.07 -40.88 82.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.797 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.0 tp -60.93 -41.21 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 121' ' ' TRP . 97.0 t -62.55 -50.49 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.23 -42.34 73.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.551 HG21 HG21 ' A' ' 27' ' ' ILE . 51.9 mt -60.64 -48.59 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.52 -25.56 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.53 -55.24 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -33.75 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 127' ' ' ILE . 76.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.637 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.5 p -53.63 -58.97 5.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.75 -38.04 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.54 -46.49 59.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.411 ' O ' HD23 ' A' ' 10' ' ' LEU . 13.4 mm-40 -50.86 -48.2 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.83 -49.2 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -53.85 -50.25 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.982 HG21 HD11 ' B' ' 110' ' ' LEU . 63.6 mt -54.88 -51.89 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.999 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.76 -49.16 39.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.98 -48.88 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.65 -37.4 93.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -36.32 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -48.97 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.0 -50.2 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.15 -42.85 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.06 97.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.53 -36.05 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -58.58 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.33 -37.73 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.433 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.2 t-105 -60.86 -58.52 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.92 -43.9 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -56.83 -45.89 82.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' B' ' 123' ' ' LEU . 5.3 tp -61.51 -37.75 84.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.5 t -61.19 -49.4 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.01 -43.16 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.762 HD11 HD11 ' A' ' 23' ' ' LEU . 92.1 mt -61.48 -45.46 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.92 -25.19 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -69.73 -52.6 24.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 27' ' ' ILE . 85.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.633 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.6 p -53.19 -58.9 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.79 -38.02 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 -46.42 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.407 ' O ' HD23 ' B' ' 110' ' ' LEU . 13.2 mm-40 -50.97 -48.15 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.633 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.69 -49.28 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.76 -50.46 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 0.999 HG21 HD11 ' A' ' 10' ' ' LEU . 61.3 mt -54.68 -51.84 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.85 -48.93 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.17 -48.95 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.23 93.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.41 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.131 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.35 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.46 -50.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.31 -43.0 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.68 97.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 5.9 mmt -62.65 -36.12 81.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -58.48 5.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.52 -37.2 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 121' ' ' TRP . . . . . 0.416 ' O ' HG23 ' B' ' 125' ' ' VAL . 11.3 t-105 -61.28 -58.5 8.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.1 -43.43 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.751 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -57.09 -45.85 83.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 23' ' ' LEU . 5.2 tp -61.51 -38.11 86.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 125' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 121' ' ' TRP . 78.5 t -60.85 -49.6 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.5 mt -58.88 -42.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.751 HD11 HD11 ' B' ' 123' ' ' LEU . 94.4 mt -61.76 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.97 -25.02 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.78 -52.03 28.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.86 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 127' ' ' ILE . 91.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.631 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.4 p -52.73 -58.6 6.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -45.03 -37.95 4.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.03 -45.46 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.4 mm-40 -51.55 -47.95 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 3' ' ' THR . 4.0 mp -65.51 -49.56 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.6 mt -53.68 -50.07 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 1.021 HG21 HD11 ' B' ' 110' ' ' LEU . 31.2 mm -55.41 -51.52 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.042 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.87 -49.32 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.98 -49.25 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.34 93.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -36.75 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.06 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.7 -50.78 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.78 -42.12 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.41 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttm -61.47 -36.47 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -57.22 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.51 -39.45 57.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -59.86 -57.78 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.03 -44.73 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -56.33 -44.62 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' CD1' HD21 ' B' ' 123' ' ' LEU . 5.0 tp -62.26 -38.47 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.9 -48.56 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.52 -43.15 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.748 HD11 HD11 ' A' ' 23' ' ' LEU . 97.7 mt -62.13 -45.14 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.95 -24.64 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -71.6 -50.8 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -33.73 76.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' ILE . 90.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.8 p -52.88 -58.66 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -45.09 -37.91 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.09 -45.38 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.421 ' O ' HD23 ' B' ' 110' ' ' LEU . 6.5 mm-40 -51.56 -47.96 63.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.49 -49.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 52.5 mt -53.56 -50.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.042 HG21 HD11 ' A' ' 10' ' ' LEU . 31.0 mm -55.29 -51.6 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 1.021 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.9 -49.16 41.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.11 -49.12 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.9 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.82 -50.76 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.87 -42.09 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.27 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.61 -36.37 80.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.67 -57.06 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.67 -39.41 58.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.82 -57.72 11.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.18 -44.9 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -56.08 -44.57 79.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 23' ' ' LEU . 4.9 tp -62.33 -38.65 90.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.77 -48.48 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.56 -43.24 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.757 HD11 HD11 ' B' ' 123' ' ' LEU . 97.5 mt -61.86 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.97 -24.64 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -71.59 -50.82 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 127' ' ' ILE . 90.0 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.8 p -53.22 -58.6 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.77 -38.05 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.5 -46.56 59.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.8 mm-40 -50.78 -47.86 59.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.08 -49.55 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.9 mt -53.78 -49.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . 0.979 HG21 HD11 ' B' ' 110' ' ' LEU . 69.3 mt -55.71 -51.35 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 1.002 HD11 HG21 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -49.21 -49.41 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 64.3 t -55.87 -49.2 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.35 93.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -36.78 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.88 82.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' VAL . 76.2 t -62.64 -49.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.7 mm -56.51 -42.54 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.88 -36.31 80.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -57.65 8.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.49 -38.85 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TRP . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.9 t-105 -60.21 -57.84 11.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.24 -44.74 94.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -56.27 -44.74 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' B' ' 123' ' ' LEU . 4.8 tp -62.24 -38.62 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.6 t -60.62 -48.35 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.86 -42.63 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ILE . . . . . 0.76 HD11 HD11 ' A' ' 23' ' ' LEU . 93.9 mt -62.47 -45.39 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.35 -25.43 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -71.22 -50.03 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -33.67 76.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 27' ' ' ILE . 87.7 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.861 0.362 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 103' ' ' THR . . . . . 0.634 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.7 p -53.83 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.81 -37.97 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.62 -46.48 59.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 106' ' ' GLU . . . . . 0.405 ' O ' HD23 ' B' ' 110' ' ' LEU . 6.7 mm-40 -50.92 -47.84 60.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 107' ' ' ILE . . . . . 0.634 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.07 -49.55 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.76 -49.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 109' ' ' ILE . . . . . 1.002 HG21 HD11 ' A' ' 10' ' ' LEU . 70.3 mt -55.75 -51.48 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 110' ' ' LEU . . . . . 0.979 HD11 HG21 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -49.04 -49.48 41.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 111' ' ' VAL . . . . . 0.405 ' O ' HG23 ' B' ' 115' ' ' VAL . 65.6 t -55.78 -49.32 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.49 94.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -36.93 73.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.87 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 115' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 111' ' ' VAL . 84.6 t -62.63 -49.34 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.5 -42.81 76.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.73 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.9 mmt -61.88 -36.56 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -57.63 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.47 -38.77 55.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -60.29 -57.93 10.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.24 -44.51 95.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 123' ' ' LEU . . . . . 0.772 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -56.49 -44.7 80.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 124' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 23' ' ' LEU . 4.8 tp -62.24 -38.59 89.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.7 -48.51 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.7 mt -59.65 -42.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 127' ' ' ILE . . . . . 0.772 HD11 HD11 ' B' ' 123' ' ' LEU . 93.9 mt -62.61 -45.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.37 -25.09 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -71.53 -50.07 34.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -33.44 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 131' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 127' ' ' ILE . 86.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -61.23 -58.72 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.633 ' O ' HD12 ' A' ' 7' ' ' ILE . 39.9 p -52.51 -58.11 7.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -45.21 -38.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.8 -45.37 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 10' ' ' LEU . 27.7 mm-40 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.21 -49.68 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -53.24 -51.59 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.002 HG21 HD11 ' B' ' 110' ' ' LEU . 32.8 mm -54.08 -51.78 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.028 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.63 -49.63 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 15' ' ' VAL . 63.2 t -55.61 -49.24 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -37.92 94.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -37.07 74.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.13 85.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 11' ' ' VAL . 79.9 t -62.85 -48.07 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.87 -40.01 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.43 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 tpp -62.21 -38.93 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -54.31 38.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.64 -40.52 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.463 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 t-105 -60.05 -54.67 43.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.14 -49.11 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.822 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.95 -40.7 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.6 tp -61.71 -40.22 94.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' TRP . 69.3 t -62.93 -50.07 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -56.68 -42.56 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.4 mt -61.49 -48.71 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.91 -25.09 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -68.65 -53.43 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -33.67 76.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 27' ' ' ILE . 91.2 t -71.44 -38.73 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -73.18 -25.16 60.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -35.05 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.41 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -54.93 -34.48 63.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.6 -60.06 4.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.497 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -60.46 -59.09 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.628 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.8 p -51.69 -58.35 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -45.18 -37.89 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.07 -45.34 61.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.412 ' O ' HD23 ' B' ' 110' ' ' LEU . 28.0 mm-40 -51.66 -48.03 63.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.628 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.41 -49.6 77.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 51.6 mt -53.6 -49.91 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.028 HG21 HD11 ' A' ' 10' ' ' LEU . 33.0 mm -55.38 -51.82 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 1.002 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.98 -48.47 43.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 115' ' ' VAL . 64.2 t -56.37 -49.38 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.8 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -36.68 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.75 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 111' ' ' VAL . 80.9 t -62.44 -47.92 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.29 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.7 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.5 tpp -61.95 -38.89 90.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -54.75 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -52.24 -40.61 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 121' ' ' TRP . . . . . 0.44 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.2 t-105 -59.98 -54.94 40.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.78 -49.28 77.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.808 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.78 -40.58 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.822 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.5 tp -61.76 -40.23 94.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 121' ' ' TRP . 69.8 t -63.13 -49.95 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.81 -42.42 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.588 ' O ' HG23 ' B' ' 131' ' ' VAL . 58.8 mt -61.53 -48.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.9 -25.02 66.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -68.77 -53.45 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -33.63 76.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 127' ' ' ILE . 90.5 t -71.2 -38.66 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -73.34 -25.36 60.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -35.22 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.51 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -55.16 -34.26 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.6 -60.09 4.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.541 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -43.34 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.635 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.6 p -52.98 -58.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -44.57 -37.94 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.78 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.9 -47.82 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.76 -49.24 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.57 -49.65 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.982 HG21 HD11 ' B' ' 110' ' ' LEU . 57.7 mt -54.9 -52.2 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.014 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.07 -49.0 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 15' ' ' VAL . 67.5 t -55.43 -49.75 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.24 96.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -36.4 77.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.77 78.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 11' ' ' VAL . 86.2 t -61.0 -48.19 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -57.68 -41.65 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.5 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -45.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -53.18 61.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -51.58 -47.38 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.55 -53.5 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -49.79 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 1.087 HD21 HD11 ' B' ' 124' ' ' LEU . 0.0 OUTLIER -55.78 -41.17 73.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 1.137 HD11 HD21 ' B' ' 123' ' ' LEU . 1.7 tp -60.51 -44.2 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.38 -48.36 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -58.76 -42.73 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.809 HG21 HG21 ' B' ' 127' ' ' ILE . 92.0 mt -61.66 -46.5 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.39 -23.15 64.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -71.75 -51.56 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -33.19 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 27' ' ' ILE . 82.2 t -74.44 -38.47 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -73.21 -24.58 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -36.53 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.87 83.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -53.24 -28.99 30.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.71 61.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.488 -179.902 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -43.09 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.632 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.4 p -53.4 -58.34 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.28 -46.73 60.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 110' ' ' LEU . 24.7 mm-40 -50.83 -47.86 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.632 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.71 -49.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.29 -49.9 60.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.014 HG21 HD11 ' A' ' 10' ' ' LEU . 55.5 mt -54.76 -52.21 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.03 -48.88 43.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.409 ' O ' HG23 ' B' ' 115' ' ' VAL . 69.5 t -55.52 -49.69 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.07 -39.18 96.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -36.47 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 111.142 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.41 76.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 111' ' ' VAL . 84.5 t -60.65 -47.76 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.9 mm -57.92 -42.17 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.03 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.51 92.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -50.84 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.47 -48.53 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.73 -53.11 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 1.137 HD21 HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -55.92 -40.24 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 1.087 HD11 HD21 ' A' ' 23' ' ' LEU . 2.5 tp -61.56 -42.86 99.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.74 -47.97 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.77 -42.79 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.809 HG21 HG21 ' A' ' 27' ' ' ILE . 85.1 mt -61.77 -44.74 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.46 -23.95 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -71.54 -50.97 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 127' ' ' ILE . 83.6 t -74.92 -38.63 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -72.26 -24.91 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -37.79 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.15 83.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.48 -29.68 37.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 143.62 62.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -72.61 -41.45 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.7 p -51.99 -58.89 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -44.85 -38.02 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.57 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HD23 ' A' ' 10' ' ' LEU . 16.3 mm-40 -50.93 -47.99 60.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.75 -49.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -53.77 -50.28 52.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.968 HG21 HD11 ' B' ' 110' ' ' LEU . 63.0 mt -54.72 -51.76 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.985 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.11 -48.68 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 15' ' ' VAL . 65.5 t -56.12 -49.5 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.01 94.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -36.87 74.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.88 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 11' ' ' VAL . 76.2 t -61.49 -49.04 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.09 -39.67 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.15 97.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.7 -39.06 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -54.3 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.88 -39.67 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.8 t-105 -60.63 -54.91 39.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -49.44 75.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.85 -39.6 78.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.789 ' CD1' HD21 ' B' ' 123' ' ' LEU . 10.3 tp -62.46 -40.83 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.9 t -62.68 -49.09 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.99 -44.88 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 31' ' ' VAL . 39.6 mt -60.58 -46.73 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD11 ' HG ' ' A' ' 24' ' ' LEU . 7.3 mt -66.21 -28.25 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.21 -51.28 55.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -33.92 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 27' ' ' ILE . 93.9 t -71.25 -39.74 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -25.4 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.49 -34.14 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.07 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.96 -32.2 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.7 -37.33 52.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.482 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -73.03 -41.32 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.634 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.6 p -52.06 -59.03 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.79 -38.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.51 -46.52 59.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.404 ' O ' HD23 ' B' ' 110' ' ' LEU . 16.5 mm-40 -50.89 -48.0 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.634 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.87 -49.43 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.84 -50.24 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.985 HG21 HD11 ' A' ' 10' ' ' LEU . 63.2 mt -54.77 -51.71 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.968 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.19 -48.71 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.413 ' O ' HG23 ' B' ' 115' ' ' VAL . 65.1 t -56.07 -49.51 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.87 94.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -36.77 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.74 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 111' ' ' VAL . 75.4 t -61.62 -48.94 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.15 -39.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.04 97.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.81 -39.04 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -54.24 39.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.99 -39.58 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 121' ' ' TRP . . . . . 0.423 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.7 t-105 -60.65 -54.88 39.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -49.26 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.95 -39.74 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.805 ' CD1' HD21 ' A' ' 23' ' ' LEU . 10.2 tp -62.35 -40.85 97.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 121' ' ' TRP . 76.5 t -62.68 -49.11 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.6 mt -57.0 -44.72 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.615 ' O ' HG23 ' B' ' 131' ' ' VAL . 40.1 mt -60.61 -46.75 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' B' ' 124' ' ' LEU . 7.2 mt -66.38 -28.09 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.26 -51.1 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.615 HG23 ' O ' ' B' ' 127' ' ' ILE . 95.4 t -71.19 -39.62 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.73 -34.25 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.92 70.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.53 -32.22 73.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.29 48.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -38.18 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.63 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.2 p -51.69 -58.74 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.08 -38.05 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.92 -45.48 61.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 10' ' ' LEU . 38.9 mm-40 -51.52 -48.18 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.3 -49.5 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.8 mt -53.4 -50.82 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.016 HG21 HD11 ' B' ' 110' ' ' LEU . 32.1 mm -54.86 -51.58 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.018 HD11 HG21 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -48.91 -48.71 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.5 t -56.33 -49.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.69 93.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -36.74 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.53 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' VAL . 81.8 t -61.76 -48.7 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.87 -39.01 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.82 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 38.5 mtp -61.45 -39.39 90.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -53.51 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.79 -39.52 65.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 t-105 -60.46 -54.65 43.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -49.34 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.81 -39.6 77.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' B' ' 123' ' ' LEU . 6.8 tp -62.4 -41.52 98.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.7 t -62.1 -48.87 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.7 mt -57.27 -45.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . 44.2 mt -60.0 -46.09 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD11 ' HG ' ' A' ' 24' ' ' LEU . 8.4 mt -66.1 -28.38 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -68.26 -47.05 68.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -33.64 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 27' ' ' ILE . 96.6 t -68.4 -39.91 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -77.16 -24.69 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -72.23 -32.23 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.47 -32.62 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.15 -35.71 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.36 62.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.508 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.92 0.391 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.2 p -53.71 -58.59 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.06 -38.02 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.87 -45.65 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.415 ' O ' HD23 ' B' ' 110' ' ' LEU . 39.6 mm-40 -51.39 -48.41 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.11 -49.36 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 53.1 mt -53.54 -50.88 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.018 HG21 HD11 ' A' ' 10' ' ' LEU . 32.3 mm -54.64 -51.59 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 1.016 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.01 -48.7 43.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.424 ' O ' HG23 ' B' ' 115' ' ' VAL . 63.3 t -56.28 -49.12 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.9 94.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -36.81 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.48 79.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 111' ' ' VAL . 81.9 t -61.79 -48.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.28 -39.07 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.37 96.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 39.0 mtp -61.71 -39.32 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -53.57 52.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -53.75 -39.53 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 121' ' ' TRP . . . . . 0.424 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.1 t-105 -60.56 -54.64 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 17.4 mt -62.74 -49.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.791 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.7 -39.5 77.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.793 ' CD1' HD21 ' A' ' 23' ' ' LEU . 6.9 tp -62.54 -41.53 98.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 121' ' ' TRP . 76.0 t -62.01 -48.89 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 51.0 mt -57.27 -45.51 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.635 ' O ' HG23 ' B' ' 131' ' ' VAL . 44.9 mt -60.17 -45.98 95.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 128' ' ' LEU . . . . . 0.426 HD11 ' HG ' ' B' ' 124' ' ' LEU . 8.3 mt -66.16 -28.3 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.22 -47.21 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -33.61 75.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 31' ' ' VAL . 96.8 t -68.48 -39.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -77.11 -24.76 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -72.18 -31.99 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.02 -32.65 72.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.5 -35.74 72.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 152.35 62.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.961 0.41 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.06 -36.8 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.7 p -51.67 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -44.65 -38.05 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.38 -46.77 59.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' O ' HD23 ' A' ' 10' ' ' LEU . 48.8 mm-40 -50.71 -47.96 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.84 -49.62 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.75 -50.03 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.979 HG21 HD11 ' B' ' 110' ' ' LEU . 59.9 mt -54.88 -51.81 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.997 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.15 -48.88 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 15' ' ' VAL . 68.0 t -55.8 -49.55 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.17 94.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.74 75.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.118 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.48 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 11' ' ' VAL . 68.6 t -61.84 -48.33 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.35 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.3 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.22 -38.74 90.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.28 37.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.62 -40.32 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.5 t-105 -60.36 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.76 -48.88 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.811 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -58.16 -41.1 83.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.798 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.8 tp -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 21' ' ' TRP . 98.1 t -63.04 -50.69 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.33 -42.56 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG21 HG21 ' B' ' 127' ' ' ILE . 53.6 mt -60.6 -48.37 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.22 -25.83 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -66.75 -55.55 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -33.72 76.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 27' ' ' ILE . 68.8 t -73.78 -37.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -73.57 -24.69 60.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -37.41 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.04 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.09 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.94 -73.22 1.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.478 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 -36.9 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.627 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.4 p -51.71 -58.68 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -44.68 -37.98 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.44 -46.73 59.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.401 ' O ' HD23 ' B' ' 110' ' ' LEU . 48.4 mm-40 -50.8 -47.82 59.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.627 HD12 ' O ' ' B' ' 103' ' ' THR . 3.8 mp -64.89 -49.57 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mt -53.88 -50.04 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.997 HG21 HD11 ' A' ' 10' ' ' LEU . 61.0 mt -54.82 -51.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.979 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.03 -48.87 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.428 ' O ' HG23 ' B' ' 115' ' ' VAL . 68.5 t -55.9 -49.6 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.19 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -36.89 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.23 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 111' ' ' VAL . 68.5 t -62.03 -48.23 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.87 -40.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.06 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.31 -38.59 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -53.88 42.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.91 -40.45 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 121' ' ' TRP . . . . . 0.516 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.7 t-105 -60.3 -54.92 39.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.84 -48.97 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.13 -41.16 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.811 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.9 tp -60.91 -40.65 93.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 121' ' ' TRP . 98.2 t -62.83 -50.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.2 mt -56.32 -42.45 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.569 HG21 HG21 ' A' ' 27' ' ' ILE . 52.9 mt -60.62 -48.49 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.15 -25.94 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -66.63 -55.37 15.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 127' ' ' ILE . 70.8 t -73.62 -37.07 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -73.66 -24.71 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -37.35 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.28 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.9 -30.95 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.82 -73.47 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.925 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.925 0.393 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -117.71 -69.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.2 p -51.81 -58.94 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -44.81 -37.77 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.57 -46.78 58.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' HD23 ' A' ' 10' ' ' LEU . 46.4 mm-40 -50.86 -47.85 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 3' ' ' THR . 3.8 mp -64.97 -49.23 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.17 -49.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.981 HG21 HD11 ' B' ' 110' ' ' LEU . 56.1 mt -55.15 -51.62 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.0 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.33 -48.73 46.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.7 t -56.0 -49.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.25 94.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -36.81 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.12 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 11' ' ' VAL . 68.2 t -62.08 -47.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.11 -41.45 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.0 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ttm -62.77 -39.76 95.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -54.54 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.39 -40.46 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.501 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 t-105 -60.13 -55.15 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.62 -49.07 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.95 -41.13 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.2 tp -60.77 -40.91 94.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 21' ' ' TRP . 96.2 t -62.72 -50.38 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.55 -42.0 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.58 HG21 HG21 ' B' ' 127' ' ' ILE . 54.4 mt -60.87 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.77 -26.1 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -66.45 -54.89 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -33.3 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 27' ' ' ILE . 76.8 t -73.94 -37.4 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -73.95 -24.38 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -70.57 -36.58 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.03 83.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -26.89 65.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.84 -58.07 5.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.488 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -117.76 -69.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.635 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.2 p -51.73 -58.92 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -44.83 -37.82 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.47 -46.82 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 110' ' ' LEU . 46.9 mm-40 -50.84 -47.85 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.635 HD12 ' O ' ' B' ' 103' ' ' THR . 3.8 mp -64.96 -49.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.12 -49.7 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.0 HG21 HD11 ' A' ' 10' ' ' LEU . 56.6 mt -55.23 -51.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.981 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.26 -48.75 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.439 ' O ' HG23 ' B' ' 115' ' ' VAL . 62.3 t -56.06 -49.2 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.42 -38.08 94.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -36.81 74.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.16 80.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 111' ' ' VAL . 70.1 t -62.11 -47.66 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.01 -41.22 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.27 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.6 ttm -62.73 -39.53 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -54.76 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.29 -40.45 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 121' ' ' TRP . . . . . 0.497 ' O ' HG23 ' B' ' 125' ' ' VAL . 4.0 t-105 -59.98 -55.19 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.68 -49.01 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.801 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.95 -41.12 82.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.6 tp -60.82 -41.03 94.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 121' ' ' TRP . 97.3 t -62.6 -50.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.47 -42.22 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.58 HG21 HG21 ' A' ' 27' ' ' ILE . 53.1 mt -60.7 -48.83 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.02 -25.53 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -66.91 -55.03 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -33.26 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 127' ' ' ILE . 76.1 t -74.15 -37.43 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -73.97 -24.63 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -70.21 -36.92 74.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.88 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -26.23 65.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.14 -58.04 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.38 -40.96 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.1 p -53.97 -58.9 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.88 -37.71 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.61 -46.62 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 10' ' ' LEU . 28.2 mm-40 -51.01 -47.81 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.01 -49.12 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -54.21 -49.78 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.983 HG21 HD11 ' B' ' 110' ' ' LEU . 56.9 mt -55.27 -51.64 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.008 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.17 -48.8 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.1 t -56.05 -49.16 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.04 94.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -36.65 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.117 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.74 82.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' VAL . 93.2 t -62.38 -47.48 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.14 -41.03 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.41 98.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.71 -39.21 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -54.71 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.43 -40.14 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.5 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 t-105 -60.28 -55.1 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.81 -49.05 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.797 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -58.01 -40.9 81.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.79 ' CD1' HD21 ' B' ' 123' ' ' LEU . 12.9 tp -60.9 -41.18 95.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' TRP . 97.0 t -62.54 -50.45 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.36 -42.28 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 127' ' ' ILE . 52.2 mt -60.59 -48.58 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.6 -25.43 64.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.73 -55.22 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -33.85 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 27' ' ' ILE . 76.0 t -73.53 -36.18 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -74.56 -25.15 59.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -71.68 -33.7 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.79 47.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -69.61 -26.68 64.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 -38.06 3.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.489 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.974 0.416 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -80.4 -41.0 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.1 p -54.18 -58.79 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.85 -37.75 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.56 -46.71 58.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.406 ' O ' HD23 ' B' ' 110' ' ' LEU . 28.3 mm-40 -50.95 -47.84 61.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.04 -49.04 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.25 -49.88 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.008 HG21 HD11 ' A' ' 10' ' ' LEU . 56.4 mt -55.14 -51.71 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.983 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.17 -48.73 44.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.422 ' O ' HG23 ' B' ' 115' ' ' VAL . 62.1 t -56.07 -49.24 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.07 94.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -36.68 75.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.72 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 111' ' ' VAL . 91.3 t -62.37 -47.47 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -59.21 -41.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.33 99.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.79 -39.27 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -54.67 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.46 -40.2 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 121' ' ' TRP . . . . . 0.492 ' O ' HG23 ' B' ' 125' ' ' VAL . 4.1 t-105 -60.32 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.88 -49.01 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.79 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.07 -40.88 82.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.797 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.0 tp -60.93 -41.21 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 121' ' ' TRP . 97.0 t -62.55 -50.49 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.23 -42.34 73.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.551 HG21 HG21 ' A' ' 27' ' ' ILE . 51.9 mt -60.64 -48.59 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.52 -25.56 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.53 -55.24 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -33.75 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 127' ' ' ILE . 76.7 t -73.6 -36.2 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -74.29 -25.52 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -71.07 -34.27 71.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.26 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -69.03 -26.22 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -100.34 -37.96 3.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.949 0.404 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -126.98 -70.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.637 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.5 p -53.63 -58.97 5.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.75 -38.04 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.54 -46.49 59.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.411 ' O ' HD23 ' A' ' 10' ' ' LEU . 13.4 mm-40 -50.86 -48.2 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.83 -49.2 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -53.85 -50.25 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.982 HG21 HD11 ' B' ' 110' ' ' LEU . 63.6 mt -54.88 -51.89 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.999 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.76 -49.16 39.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.98 -48.88 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.65 -37.4 93.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -36.32 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -48.97 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.0 -50.2 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.15 -42.85 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.06 97.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.53 -36.05 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -58.58 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.33 -37.73 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.433 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.2 t-105 -60.86 -58.52 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.92 -43.9 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -56.83 -45.89 82.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' B' ' 123' ' ' LEU . 5.3 tp -61.51 -37.75 84.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.5 t -61.19 -49.4 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.01 -43.16 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.762 HD11 HD11 ' A' ' 23' ' ' LEU . 92.1 mt -61.48 -45.46 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.92 -25.19 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -69.73 -52.6 24.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 27' ' ' ILE . 85.2 t -74.66 -38.96 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -23.0 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -37.12 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.84 79.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.32 -29.74 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.96 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.509 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -126.68 -70.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.633 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.6 p -53.19 -58.9 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.79 -38.02 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 -46.42 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.407 ' O ' HD23 ' B' ' 110' ' ' LEU . 13.2 mm-40 -50.97 -48.15 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.633 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.69 -49.28 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.76 -50.46 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 0.999 HG21 HD11 ' A' ' 10' ' ' LEU . 61.3 mt -54.68 -51.84 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.85 -48.93 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.17 -48.95 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.23 93.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.41 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.131 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.35 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.46 -50.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.31 -43.0 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.68 97.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 5.9 mmt -62.65 -36.12 81.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -58.48 5.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.52 -37.2 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 121' ' ' TRP . . . . . 0.416 ' O ' HG23 ' B' ' 125' ' ' VAL . 11.3 t-105 -61.28 -58.5 8.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.1 -43.43 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.751 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -57.09 -45.85 83.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 23' ' ' LEU . 5.2 tp -61.51 -38.11 86.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 125' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 121' ' ' TRP . 78.5 t -60.85 -49.6 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.5 mt -58.88 -42.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.751 HD11 HD11 ' B' ' 123' ' ' LEU . 94.4 mt -61.76 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.97 -25.02 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.78 -52.03 28.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.86 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 127' ' ' ILE . 91.4 t -74.6 -38.84 46.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -23.47 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -37.63 69.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.73 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.13 -28.96 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.57 -52.02 3.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -35.09 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.631 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.4 p -52.73 -58.6 6.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -45.03 -37.95 4.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.03 -45.46 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.4 mm-40 -51.55 -47.95 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 3' ' ' THR . 4.0 mp -65.51 -49.56 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.6 mt -53.68 -50.07 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 1.021 HG21 HD11 ' B' ' 110' ' ' LEU . 31.2 mm -55.41 -51.52 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.042 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.87 -49.32 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.98 -49.25 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.34 93.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -36.75 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.06 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.7 -50.78 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.78 -42.12 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.41 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttm -61.47 -36.47 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -57.22 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.51 -39.45 57.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -59.86 -57.78 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.03 -44.73 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -56.33 -44.62 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' CD1' HD21 ' B' ' 123' ' ' LEU . 5.0 tp -62.26 -38.47 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.9 -48.56 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.52 -43.15 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.748 HD11 HD11 ' A' ' 23' ' ' LEU . 97.7 mt -62.13 -45.14 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.95 -24.64 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -71.6 -50.8 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -33.73 76.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' ILE . 90.7 t -71.91 -39.01 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.8 -25.56 61.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -33.55 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.74 63.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.47 -31.99 48.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.63 57.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.491 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.945 0.402 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -34.02 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.8 p -52.88 -58.66 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -45.09 -37.91 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.09 -45.38 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.421 ' O ' HD23 ' B' ' 110' ' ' LEU . 6.5 mm-40 -51.56 -47.96 63.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.49 -49.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 52.5 mt -53.56 -50.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.042 HG21 HD11 ' A' ' 10' ' ' LEU . 31.0 mm -55.29 -51.6 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 1.021 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.9 -49.16 41.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.11 -49.12 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.9 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.82 -50.76 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.87 -42.09 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.27 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.61 -36.37 80.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.67 -57.06 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.67 -39.41 58.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.82 -57.72 11.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.18 -44.9 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -56.08 -44.57 79.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 23' ' ' LEU . 4.9 tp -62.33 -38.65 90.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.77 -48.48 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.56 -43.24 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.757 HD11 HD11 ' B' ' 123' ' ' LEU . 97.5 mt -61.86 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.97 -24.64 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -71.59 -50.82 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 127' ' ' ILE . 90.0 t -71.95 -39.1 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.69 -25.61 61.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -33.66 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.26 -36.66 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -53.54 -31.91 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 143.74 57.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.508 -179.86 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.951 0.405 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -42.35 97.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.8 p -53.22 -58.6 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.77 -38.05 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.5 -46.56 59.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.8 mm-40 -50.78 -47.86 59.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.08 -49.55 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.9 mt -53.78 -49.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.979 HG21 HD11 ' B' ' 110' ' ' LEU . 69.3 mt -55.71 -51.35 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 1.002 HD11 HG21 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -49.21 -49.41 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 64.3 t -55.87 -49.2 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.35 93.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -36.78 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.88 82.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' VAL . 76.2 t -62.64 -49.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.7 mm -56.51 -42.54 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.88 -36.31 80.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -57.65 8.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.49 -38.85 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TRP . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.9 t-105 -60.21 -57.84 11.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.24 -44.74 94.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -56.27 -44.74 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' B' ' 123' ' ' LEU . 4.8 tp -62.24 -38.62 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.6 t -60.62 -48.35 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.86 -42.63 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ILE . . . . . 0.76 HD11 HD11 ' A' ' 23' ' ' LEU . 93.9 mt -62.47 -45.39 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.35 -25.43 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -71.22 -50.03 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -33.67 76.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 27' ' ' ILE . 87.7 t -69.98 -39.17 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -73.36 -26.63 61.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -31.85 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.94 -34.9 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.49 -33.72 55.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.29 -58.39 2.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.533 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -42.51 98.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 103' ' ' THR . . . . . 0.634 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.7 p -53.83 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.81 -37.97 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.62 -46.48 59.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' GLU . . . . . 0.405 ' O ' HD23 ' B' ' 110' ' ' LEU . 6.7 mm-40 -50.92 -47.84 60.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ILE . . . . . 0.634 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.07 -49.55 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.76 -49.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ILE . . . . . 1.002 HG21 HD11 ' A' ' 10' ' ' LEU . 70.3 mt -55.75 -51.48 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 110' ' ' LEU . . . . . 0.979 HD11 HG21 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -49.04 -49.48 41.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 111' ' ' VAL . . . . . 0.405 ' O ' HG23 ' B' ' 115' ' ' VAL . 65.6 t -55.78 -49.32 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.49 94.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -36.93 73.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.87 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 115' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 111' ' ' VAL . 84.6 t -62.63 -49.34 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.5 -42.81 76.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.73 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.9 mmt -61.88 -36.56 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -57.63 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.47 -38.77 55.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -60.29 -57.93 10.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.24 -44.51 95.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 123' ' ' LEU . . . . . 0.772 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -56.49 -44.7 80.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 124' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 23' ' ' LEU . 4.8 tp -62.24 -38.59 89.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.7 -48.51 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.7 mt -59.65 -42.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 127' ' ' ILE . . . . . 0.772 HD11 HD11 ' B' ' 123' ' ' LEU . 93.9 mt -62.61 -45.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.37 -25.09 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -71.53 -50.07 34.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -33.44 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 131' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 127' ' ' ILE . 86.1 t -69.95 -39.16 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -73.57 -26.59 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -31.75 70.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.32 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.99 -33.39 56.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -84.47 -58.18 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.905 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.84 0.352 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.633 ' O ' HD12 ' A' ' 7' ' ' ILE . 39.9 p -52.51 -58.11 7.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -45.21 -38.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.8 -45.37 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 10' ' ' LEU . 27.7 mm-40 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.21 -49.68 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -53.24 -51.59 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.002 HG21 HD11 ' B' ' 110' ' ' LEU . 32.8 mm -54.08 -51.78 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.028 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.63 -49.63 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 15' ' ' VAL . 63.2 t -55.61 -49.24 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -37.92 94.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -37.07 74.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.13 85.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 11' ' ' VAL . 79.9 t -62.85 -48.07 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.87 -40.01 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.43 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 tpp -62.21 -38.93 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -54.31 38.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.64 -40.52 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.463 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 t-105 -60.05 -54.67 43.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.14 -49.11 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.822 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.95 -40.7 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.6 tp -61.71 -40.22 94.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' TRP . 69.3 t -62.93 -50.07 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -56.68 -42.56 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.4 mt -61.49 -48.71 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.91 -25.09 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -68.65 -53.43 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -33.67 76.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 27' ' ' ILE . 91.2 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.861 0.362 . . . . 0.0 110.955 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.628 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.8 p -51.69 -58.35 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -45.18 -37.89 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.07 -45.34 61.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.412 ' O ' HD23 ' B' ' 110' ' ' LEU . 28.0 mm-40 -51.66 -48.03 63.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.628 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.41 -49.6 77.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 51.6 mt -53.6 -49.91 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.028 HG21 HD11 ' A' ' 10' ' ' LEU . 33.0 mm -55.38 -51.82 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 1.002 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.98 -48.47 43.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 115' ' ' VAL . 64.2 t -56.37 -49.38 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.8 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -36.68 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.75 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 111' ' ' VAL . 80.9 t -62.44 -47.92 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.29 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.7 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.5 tpp -61.95 -38.89 90.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -54.75 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -52.24 -40.61 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . 0.44 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.2 t-105 -59.98 -54.94 40.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.78 -49.28 77.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.808 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.78 -40.58 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.822 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.5 tp -61.76 -40.23 94.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 121' ' ' TRP . 69.8 t -63.13 -49.95 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.81 -42.42 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.588 ' O ' HG23 ' B' ' 131' ' ' VAL . 58.8 mt -61.53 -48.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.9 -25.02 66.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -68.77 -53.45 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -33.63 76.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 127' ' ' ILE . 90.5 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.136 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.873 0.368 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.635 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.6 p -52.98 -58.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -44.57 -37.94 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.78 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.9 -47.82 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.76 -49.24 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.57 -49.65 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.982 HG21 HD11 ' B' ' 110' ' ' LEU . 57.7 mt -54.9 -52.2 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.014 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.07 -49.0 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 15' ' ' VAL . 67.5 t -55.43 -49.75 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.24 96.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -36.4 77.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.77 78.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 11' ' ' VAL . 86.2 t -61.0 -48.19 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -57.68 -41.65 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.5 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -45.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -53.18 61.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -51.58 -47.38 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.55 -53.5 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -49.79 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 1.087 HD21 HD11 ' B' ' 124' ' ' LEU . 0.0 OUTLIER -55.78 -41.17 73.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 1.137 HD11 HD21 ' B' ' 123' ' ' LEU . 1.7 tp -60.51 -44.2 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.38 -48.36 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -58.76 -42.73 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.809 HG21 HG21 ' B' ' 127' ' ' ILE . 92.0 mt -61.66 -46.5 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.39 -23.15 64.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -71.75 -51.56 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -33.19 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 27' ' ' ILE . 82.2 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.178 0 CA-C-O 120.851 0.358 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.632 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.4 p -53.4 -58.34 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.28 -46.73 60.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 110' ' ' LEU . 24.7 mm-40 -50.83 -47.86 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.632 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.71 -49.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.29 -49.9 60.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.014 HG21 HD11 ' A' ' 10' ' ' LEU . 55.5 mt -54.76 -52.21 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.03 -48.88 43.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.409 ' O ' HG23 ' B' ' 115' ' ' VAL . 69.5 t -55.52 -49.69 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.07 -39.18 96.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -36.47 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 111.142 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.41 76.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 111' ' ' VAL . 84.5 t -60.65 -47.76 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.9 mm -57.92 -42.17 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.03 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.51 92.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -50.84 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.47 -48.53 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.73 -53.11 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 1.137 HD21 HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -55.92 -40.24 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 1.087 HD11 HD21 ' A' ' 23' ' ' LEU . 2.5 tp -61.56 -42.86 99.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.74 -47.97 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.77 -42.79 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.809 HG21 HG21 ' A' ' 27' ' ' ILE . 85.1 mt -61.77 -44.74 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.46 -23.95 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -71.54 -50.97 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 127' ' ' ILE . 83.6 t . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.851 0.358 . . . . 0.0 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.7 p -51.99 -58.89 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -44.85 -38.02 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.57 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HD23 ' A' ' 10' ' ' LEU . 16.3 mm-40 -50.93 -47.99 60.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.75 -49.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -53.77 -50.28 52.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.968 HG21 HD11 ' B' ' 110' ' ' LEU . 63.0 mt -54.72 -51.76 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.985 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.11 -48.68 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 15' ' ' VAL . 65.5 t -56.12 -49.5 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.01 94.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -36.87 74.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.88 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 11' ' ' VAL . 76.2 t -61.49 -49.04 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.09 -39.67 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.15 97.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.7 -39.06 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -54.3 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.88 -39.67 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.8 t-105 -60.63 -54.91 39.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -49.44 75.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.805 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.85 -39.6 78.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.789 ' CD1' HD21 ' B' ' 123' ' ' LEU . 10.3 tp -62.46 -40.83 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.9 t -62.68 -49.09 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.99 -44.88 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 31' ' ' VAL . 39.6 mt -60.58 -46.73 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.448 HD11 ' HG ' ' A' ' 24' ' ' LEU . 7.3 mt -66.21 -28.25 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.21 -51.28 55.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -33.92 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 27' ' ' ILE . 93.9 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.828 0.346 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.634 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.6 p -52.06 -59.03 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.79 -38.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.51 -46.52 59.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.404 ' O ' HD23 ' B' ' 110' ' ' LEU . 16.5 mm-40 -50.89 -48.0 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.634 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.87 -49.43 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.84 -50.24 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.985 HG21 HD11 ' A' ' 10' ' ' LEU . 63.2 mt -54.77 -51.71 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.968 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.19 -48.71 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.413 ' O ' HG23 ' B' ' 115' ' ' VAL . 65.1 t -56.07 -49.51 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.87 94.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -36.77 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.74 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 111' ' ' VAL . 75.4 t -61.62 -48.94 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.15 -39.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.04 97.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.81 -39.04 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -54.24 39.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.99 -39.58 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . 0.423 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.7 t-105 -60.65 -54.88 39.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -49.26 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.95 -39.74 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.805 ' CD1' HD21 ' A' ' 23' ' ' LEU . 10.2 tp -62.35 -40.85 97.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 121' ' ' TRP . 76.5 t -62.68 -49.11 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.6 mt -57.0 -44.72 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.615 ' O ' HG23 ' B' ' 131' ' ' VAL . 40.1 mt -60.61 -46.75 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' B' ' 124' ' ' LEU . 7.2 mt -66.38 -28.09 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.26 -51.1 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.615 HG23 ' O ' ' B' ' 127' ' ' ILE . 95.4 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.89 0.376 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.63 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.2 p -51.69 -58.74 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.08 -38.05 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.92 -45.48 61.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 10' ' ' LEU . 38.9 mm-40 -51.52 -48.18 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.3 -49.5 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.8 mt -53.4 -50.82 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.016 HG21 HD11 ' B' ' 110' ' ' LEU . 32.1 mm -54.86 -51.58 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.018 HD11 HG21 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -48.91 -48.71 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.5 t -56.33 -49.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.69 93.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -36.74 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.53 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' VAL . 81.8 t -61.76 -48.7 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.87 -39.01 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.82 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 38.5 mtp -61.45 -39.39 90.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -53.51 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.79 -39.52 65.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 t-105 -60.46 -54.65 43.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -49.34 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.81 -39.6 77.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' B' ' 123' ' ' LEU . 6.8 tp -62.4 -41.52 98.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.7 t -62.1 -48.87 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.7 mt -57.27 -45.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . 44.2 mt -60.0 -46.09 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.423 HD11 ' HG ' ' A' ' 24' ' ' LEU . 8.4 mt -66.1 -28.38 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -68.26 -47.05 68.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -33.64 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 27' ' ' ILE . 96.6 t . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.909 0.385 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.2 p -53.71 -58.59 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.06 -38.02 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.87 -45.65 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.415 ' O ' HD23 ' B' ' 110' ' ' LEU . 39.6 mm-40 -51.39 -48.41 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.11 -49.36 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 53.1 mt -53.54 -50.88 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.018 HG21 HD11 ' A' ' 10' ' ' LEU . 32.3 mm -54.64 -51.59 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 1.016 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.01 -48.7 43.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.424 ' O ' HG23 ' B' ' 115' ' ' VAL . 63.3 t -56.28 -49.12 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.9 94.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -36.81 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.48 79.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 111' ' ' VAL . 81.9 t -61.79 -48.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.28 -39.07 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.37 96.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 39.0 mtp -61.71 -39.32 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -53.57 52.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -53.75 -39.53 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . 0.424 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.1 t-105 -60.56 -54.64 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 17.4 mt -62.74 -49.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.791 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.7 -39.5 77.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.793 ' CD1' HD21 ' A' ' 23' ' ' LEU . 6.9 tp -62.54 -41.53 98.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 121' ' ' TRP . 76.0 t -62.01 -48.89 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 51.0 mt -57.27 -45.51 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.635 ' O ' HG23 ' B' ' 131' ' ' VAL . 44.9 mt -60.17 -45.98 95.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . 0.426 HD11 ' HG ' ' B' ' 124' ' ' LEU . 8.3 mt -66.16 -28.3 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.22 -47.21 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -33.61 75.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 31' ' ' VAL . 96.8 t . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.847 0.356 . . . . 0.0 110.897 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.7 p -51.67 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -44.65 -38.05 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.38 -46.77 59.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.407 ' O ' HD23 ' A' ' 10' ' ' LEU . 48.8 mm-40 -50.71 -47.96 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.84 -49.62 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.75 -50.03 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.979 HG21 HD11 ' B' ' 110' ' ' LEU . 59.9 mt -54.88 -51.81 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.997 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.15 -48.88 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 15' ' ' VAL . 68.0 t -55.8 -49.55 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.17 94.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.74 75.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.118 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.48 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 11' ' ' VAL . 68.6 t -61.84 -48.33 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.35 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.3 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.22 -38.74 90.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.28 37.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.62 -40.32 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.5 t-105 -60.36 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.76 -48.88 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.811 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -58.16 -41.1 83.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.798 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.8 tp -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 21' ' ' TRP . 98.1 t -63.04 -50.69 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.33 -42.56 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.569 HG21 HG21 ' B' ' 127' ' ' ILE . 53.6 mt -60.6 -48.37 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.22 -25.83 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -66.75 -55.55 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -33.72 76.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 27' ' ' ILE . 68.8 t . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.847 0.356 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.627 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.4 p -51.71 -58.68 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -44.68 -37.98 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.44 -46.73 59.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.401 ' O ' HD23 ' B' ' 110' ' ' LEU . 48.4 mm-40 -50.8 -47.82 59.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.627 HD12 ' O ' ' B' ' 103' ' ' THR . 3.8 mp -64.89 -49.57 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mt -53.88 -50.04 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.997 HG21 HD11 ' A' ' 10' ' ' LEU . 61.0 mt -54.82 -51.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.979 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.03 -48.87 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.428 ' O ' HG23 ' B' ' 115' ' ' VAL . 68.5 t -55.9 -49.6 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.19 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -36.89 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.23 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 111' ' ' VAL . 68.5 t -62.03 -48.23 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.87 -40.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.06 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.31 -38.59 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -53.88 42.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.91 -40.45 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . 0.516 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.7 t-105 -60.3 -54.92 39.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.84 -48.97 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.13 -41.16 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.811 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.9 tp -60.91 -40.65 93.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 121' ' ' TRP . 98.2 t -62.83 -50.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.2 mt -56.32 -42.45 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.569 HG21 HG21 ' A' ' 27' ' ' ILE . 52.9 mt -60.62 -48.49 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.15 -25.94 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -66.63 -55.37 15.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 127' ' ' ILE . 70.8 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.906 0.384 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.2 p -51.81 -58.94 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -44.81 -37.77 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.57 -46.78 58.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' HD23 ' A' ' 10' ' ' LEU . 46.4 mm-40 -50.86 -47.85 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 3' ' ' THR . 3.8 mp -64.97 -49.23 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.17 -49.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.981 HG21 HD11 ' B' ' 110' ' ' LEU . 56.1 mt -55.15 -51.62 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.0 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.33 -48.73 46.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.7 t -56.0 -49.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.25 94.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -36.81 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.12 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 11' ' ' VAL . 68.2 t -62.08 -47.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.11 -41.45 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.0 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ttm -62.77 -39.76 95.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -54.54 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.39 -40.46 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.501 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 t-105 -60.13 -55.15 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.62 -49.07 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.95 -41.13 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.2 tp -60.77 -40.91 94.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 21' ' ' TRP . 96.2 t -62.72 -50.38 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.55 -42.0 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.58 HG21 HG21 ' B' ' 127' ' ' ILE . 54.4 mt -60.87 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.77 -26.1 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -66.45 -54.89 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -33.3 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 27' ' ' ILE . 76.8 t . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.9 mttm . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.81 0.338 . . . . 0.0 110.828 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.635 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.2 p -51.73 -58.92 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -44.83 -37.82 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.47 -46.82 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 110' ' ' LEU . 46.9 mm-40 -50.84 -47.85 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.635 HD12 ' O ' ' B' ' 103' ' ' THR . 3.8 mp -64.96 -49.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.12 -49.7 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.0 HG21 HD11 ' A' ' 10' ' ' LEU . 56.6 mt -55.23 -51.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.981 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.26 -48.75 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.439 ' O ' HG23 ' B' ' 115' ' ' VAL . 62.3 t -56.06 -49.2 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.42 -38.08 94.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -36.81 74.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.16 80.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 111' ' ' VAL . 70.1 t -62.11 -47.66 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.01 -41.22 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.27 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.6 ttm -62.73 -39.53 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -54.76 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.29 -40.45 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . 0.497 ' O ' HG23 ' B' ' 125' ' ' VAL . 4.0 t-105 -59.98 -55.19 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.68 -49.01 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.801 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.95 -41.12 82.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.6 tp -60.82 -41.03 94.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 121' ' ' TRP . 97.3 t -62.6 -50.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.47 -42.22 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.58 HG21 HG21 ' A' ' 27' ' ' ILE . 53.1 mt -60.7 -48.83 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.02 -25.53 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -66.91 -55.03 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -33.26 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 127' ' ' ILE . 76.1 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.818 0.342 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.1 p -53.97 -58.9 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.88 -37.71 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.61 -46.62 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 10' ' ' LEU . 28.2 mm-40 -51.01 -47.81 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.01 -49.12 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -54.21 -49.78 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.983 HG21 HD11 ' B' ' 110' ' ' LEU . 56.9 mt -55.27 -51.64 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.008 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.17 -48.8 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.1 t -56.05 -49.16 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.04 94.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -36.65 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.117 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.74 82.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' VAL . 93.2 t -62.38 -47.48 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.14 -41.03 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.41 98.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.71 -39.21 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -54.71 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.43 -40.14 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.5 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 t-105 -60.28 -55.1 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.81 -49.05 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.797 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -58.01 -40.9 81.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.79 ' CD1' HD21 ' B' ' 123' ' ' LEU . 12.9 tp -60.9 -41.18 95.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' TRP . 97.0 t -62.54 -50.45 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.36 -42.28 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 127' ' ' ILE . 52.2 mt -60.59 -48.58 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.6 -25.43 64.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.73 -55.22 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -33.85 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 27' ' ' ILE . 76.0 t . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.865 0.364 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.1 p -54.18 -58.79 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.85 -37.75 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.56 -46.71 58.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.406 ' O ' HD23 ' B' ' 110' ' ' LEU . 28.3 mm-40 -50.95 -47.84 61.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.04 -49.04 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.25 -49.88 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.008 HG21 HD11 ' A' ' 10' ' ' LEU . 56.4 mt -55.14 -51.71 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.983 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.17 -48.73 44.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.422 ' O ' HG23 ' B' ' 115' ' ' VAL . 62.1 t -56.07 -49.24 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.07 94.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -36.68 75.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.72 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 111' ' ' VAL . 91.3 t -62.37 -47.47 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -59.21 -41.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.33 99.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.79 -39.27 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -54.67 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.46 -40.2 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . 0.492 ' O ' HG23 ' B' ' 125' ' ' VAL . 4.1 t-105 -60.32 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.88 -49.01 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.79 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.07 -40.88 82.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.797 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.0 tp -60.93 -41.21 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 121' ' ' TRP . 97.0 t -62.55 -50.49 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.23 -42.34 73.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.551 HG21 HG21 ' A' ' 27' ' ' ILE . 51.9 mt -60.64 -48.59 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.52 -25.56 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.53 -55.24 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -33.75 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 127' ' ' ILE . 76.7 t . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp . . . . . 0 C--O 1.232 0.177 0 CA-C-O 120.85 0.357 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.637 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.5 p -53.63 -58.97 5.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.75 -38.04 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.54 -46.49 59.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.411 ' O ' HD23 ' A' ' 10' ' ' LEU . 13.4 mm-40 -50.86 -48.2 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.83 -49.2 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -53.85 -50.25 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.982 HG21 HD11 ' B' ' 110' ' ' LEU . 63.6 mt -54.88 -51.89 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.999 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.76 -49.16 39.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.98 -48.88 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.65 -37.4 93.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -36.32 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -48.97 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.0 -50.2 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.15 -42.85 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.06 97.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.53 -36.05 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -58.58 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.33 -37.73 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.433 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.2 t-105 -60.86 -58.52 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.92 -43.9 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -56.83 -45.89 82.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' B' ' 123' ' ' LEU . 5.3 tp -61.51 -37.75 84.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.5 t -61.19 -49.4 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.01 -43.16 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.762 HD11 HD11 ' A' ' 23' ' ' LEU . 92.1 mt -61.48 -45.46 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.92 -25.19 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -69.73 -52.6 24.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 27' ' ' ILE . 85.2 t . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mttp . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.87 0.367 . . . . 0.0 110.894 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.633 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.6 p -53.19 -58.9 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.79 -38.02 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 -46.42 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.407 ' O ' HD23 ' B' ' 110' ' ' LEU . 13.2 mm-40 -50.97 -48.15 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.633 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.69 -49.28 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.76 -50.46 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 0.999 HG21 HD11 ' A' ' 10' ' ' LEU . 61.3 mt -54.68 -51.84 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.85 -48.93 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.17 -48.95 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.23 93.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.41 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.131 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.35 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.46 -50.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.31 -43.0 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.68 97.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 5.9 mmt -62.65 -36.12 81.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -58.48 5.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.52 -37.2 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . 0.416 ' O ' HG23 ' B' ' 125' ' ' VAL . 11.3 t-105 -61.28 -58.5 8.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.1 -43.43 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.751 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -57.09 -45.85 83.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 23' ' ' LEU . 5.2 tp -61.51 -38.11 86.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 121' ' ' TRP . 78.5 t -60.85 -49.6 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.5 mt -58.88 -42.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.751 HD11 HD11 ' B' ' 123' ' ' LEU . 94.4 mt -61.76 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.97 -25.02 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.78 -52.03 28.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.86 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 127' ' ' ILE . 91.4 t . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.168 0 CA-C-O 120.852 0.358 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.631 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.4 p -52.73 -58.6 6.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -45.03 -37.95 4.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.03 -45.46 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.4 mm-40 -51.55 -47.95 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 3' ' ' THR . 4.0 mp -65.51 -49.56 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.6 mt -53.68 -50.07 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 1.021 HG21 HD11 ' B' ' 110' ' ' LEU . 31.2 mm -55.41 -51.52 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.042 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.87 -49.32 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.98 -49.25 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.34 93.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -36.75 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.06 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.7 -50.78 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.78 -42.12 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.41 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttm -61.47 -36.47 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -57.22 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.51 -39.45 57.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -59.86 -57.78 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.03 -44.73 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -56.33 -44.62 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.527 ' CD1' HD21 ' B' ' 123' ' ' LEU . 5.0 tp -62.26 -38.47 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.9 -48.56 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.52 -43.15 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.748 HD11 HD11 ' A' ' 23' ' ' LEU . 97.7 mt -62.13 -45.14 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.95 -24.64 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -71.6 -50.8 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -33.73 76.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' ILE . 90.7 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.87 0.367 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.8 p -52.88 -58.66 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -45.09 -37.91 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.09 -45.38 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.421 ' O ' HD23 ' B' ' 110' ' ' LEU . 6.5 mm-40 -51.56 -47.96 63.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.49 -49.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 52.5 mt -53.56 -50.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.042 HG21 HD11 ' A' ' 10' ' ' LEU . 31.0 mm -55.29 -51.6 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 1.021 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.9 -49.16 41.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.11 -49.12 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.9 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.82 -50.76 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.87 -42.09 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.27 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.61 -36.37 80.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.67 -57.06 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.67 -39.41 58.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.82 -57.72 11.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.18 -44.9 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -56.08 -44.57 79.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 23' ' ' LEU . 4.9 tp -62.33 -38.65 90.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.77 -48.48 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.56 -43.24 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.757 HD11 HD11 ' B' ' 123' ' ' LEU . 97.5 mt -61.86 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.97 -24.64 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -71.59 -50.82 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 127' ' ' ILE . 90.0 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.853 0.359 . . . . 0.0 110.889 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.8 p -53.22 -58.6 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.77 -38.05 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.5 -46.56 59.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.8 mm-40 -50.78 -47.86 59.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.08 -49.55 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.9 mt -53.78 -49.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . 0.979 HG21 HD11 ' B' ' 110' ' ' LEU . 69.3 mt -55.71 -51.35 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 1.002 HD11 HG21 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -49.21 -49.41 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 64.3 t -55.87 -49.2 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.35 93.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -36.78 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.88 82.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' VAL . 76.2 t -62.64 -49.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.7 mm -56.51 -42.54 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.88 -36.31 80.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -57.65 8.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.49 -38.85 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TRP . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.9 t-105 -60.21 -57.84 11.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.24 -44.74 94.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -56.27 -44.74 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' B' ' 123' ' ' LEU . 4.8 tp -62.24 -38.62 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.6 t -60.62 -48.35 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.86 -42.63 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ILE . . . . . 0.76 HD11 HD11 ' A' ' 23' ' ' LEU . 93.9 mt -62.47 -45.39 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.35 -25.43 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -71.22 -50.03 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -33.67 76.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 27' ' ' ILE . 87.7 t . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.861 0.362 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 103' ' ' THR . . . . . 0.634 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.7 p -53.83 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.81 -37.97 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.62 -46.48 59.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 106' ' ' GLU . . . . . 0.405 ' O ' HD23 ' B' ' 110' ' ' LEU . 6.7 mm-40 -50.92 -47.84 60.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 107' ' ' ILE . . . . . 0.634 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.07 -49.55 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.76 -49.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 109' ' ' ILE . . . . . 1.002 HG21 HD11 ' A' ' 10' ' ' LEU . 70.3 mt -55.75 -51.48 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 110' ' ' LEU . . . . . 0.979 HD11 HG21 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -49.04 -49.48 41.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 111' ' ' VAL . . . . . 0.405 ' O ' HG23 ' B' ' 115' ' ' VAL . 65.6 t -55.78 -49.32 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.49 94.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -36.93 73.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.87 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 115' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 111' ' ' VAL . 84.6 t -62.63 -49.34 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.5 -42.81 76.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.73 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.9 mmt -61.88 -36.56 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -57.63 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.47 -38.77 55.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -60.29 -57.93 10.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.24 -44.51 95.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 123' ' ' LEU . . . . . 0.772 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -56.49 -44.7 80.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 124' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 23' ' ' LEU . 4.8 tp -62.24 -38.59 89.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.7 -48.51 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.7 mt -59.65 -42.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 127' ' ' ILE . . . . . 0.772 HD11 HD11 ' B' ' 123' ' ' LEU . 93.9 mt -62.61 -45.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.37 -25.09 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -71.53 -50.07 34.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -33.44 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 131' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 127' ' ' ILE . 86.1 t . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 81.4 mt-10 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.881 0.372 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 11.6 mtpt -61.23 -58.72 7.15 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.899 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.633 ' O ' HD12 ' A' ' 7' ' ' ILE . 39.9 p -52.51 -58.11 7.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.124 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 44.5 m-20 -45.21 -38.0 5.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.8 -45.37 61.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.92 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.419 ' O ' HD23 ' A' ' 10' ' ' LEU . 27.7 mm-40 -51.73 -48.08 63.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.21 -49.68 77.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.087 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 50.2 mt -53.24 -51.59 38.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.153 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.002 HG21 HD11 ' B' ' 110' ' ' LEU . 32.8 mm -54.08 -51.78 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.107 179.878 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.028 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.63 -49.63 36.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.946 179.919 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.446 ' O ' HG23 ' A' ' 15' ' ' VAL . 63.2 t -55.61 -49.24 75.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.136 179.842 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -37.92 94.61 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.49 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.32 -37.07 74.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.776 0.322 . . . . 0.0 111.155 -179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.07 -46.13 85.68 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.446 HG23 ' O ' ' A' ' 11' ' ' VAL . 79.9 t -62.85 -48.07 89.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.108 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.6 mm -58.87 -40.01 79.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.117 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.76 -42.43 97.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.092 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.2 tpp -62.21 -38.93 91.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.58 -54.31 38.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.852 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.64 -40.52 62.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.463 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 t-105 -60.05 -54.67 43.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.932 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 6.8 mp -62.14 -49.11 77.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.909 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.822 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.95 -40.7 81.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 179.873 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.808 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.6 tp -61.71 -40.22 94.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.463 HG23 ' O ' ' A' ' 21' ' ' TRP . 69.3 t -62.93 -50.07 81.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.163 179.791 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 47.2 mt -56.68 -42.56 77.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.143 179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.597 ' O ' HG23 ' A' ' 31' ' ' VAL . 57.4 mt -61.49 -48.71 87.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.178 179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.2 mt -66.91 -25.09 66.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.915 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -68.65 -53.43 22.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.881 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.57 -33.67 76.46 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.158 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.597 HG23 ' O ' ' A' ' 27' ' ' ILE . 91.2 t -71.44 -38.73 69.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.145 179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 29.5 ttpt -73.18 -25.16 60.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.49 -35.05 70.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.66 -37.41 62.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.084 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -54.93 -34.48 63.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.93 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -72.6 -60.06 4.17 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.498 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 CA-C-O 119.142 -0.81 . . . . 0.0 112.497 -179.918 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 81.3 mt-10 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.916 0.389 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 11.1 mtpt -60.46 -59.09 5.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.955 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.628 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.8 p -51.69 -58.35 6.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.132 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 47.1 m-20 -45.18 -37.89 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.946 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.07 -45.34 61.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.412 ' O ' HD23 ' B' ' 110' ' ' LEU . 28.0 mm-40 -51.66 -48.03 63.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.628 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.41 -49.6 77.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.141 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 51.6 mt -53.6 -49.91 53.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.101 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.028 HG21 HD11 ' A' ' 10' ' ' LEU . 33.0 mm -55.38 -51.82 52.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 1.002 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.98 -48.47 43.27 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.924 179.951 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.425 ' O ' HG23 ' B' ' 115' ' ' VAL . 64.2 t -56.37 -49.38 77.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.816 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.35 -37.8 94.29 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.521 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.39 -36.68 74.25 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.789 0.328 . . . . 0.0 111.109 -179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.75 81.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.113 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.425 HG23 ' O ' ' B' ' 111' ' ' VAL . 80.9 t -62.44 -47.92 90.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.165 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.29 79.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.095 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.5 -42.7 98.5 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.145 179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.5 tpp -61.95 -38.89 90.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.55 -54.75 31.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.911 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -52.24 -40.61 61.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . 0.44 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.2 t-105 -59.98 -54.94 40.12 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.935 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 6.8 mp -61.78 -49.28 77.01 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.808 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.78 -40.58 80.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.947 179.862 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.822 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.5 tp -61.76 -40.23 94.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.869 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.44 HG23 ' O ' ' B' ' 121' ' ' TRP . 69.8 t -63.13 -49.95 81.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.081 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 47.7 mt -56.81 -42.42 77.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.117 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.588 ' O ' HG23 ' B' ' 131' ' ' VAL . 58.8 mt -61.53 -48.68 87.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.146 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 15.6 mt -66.9 -25.02 66.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -68.77 -53.45 21.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.844 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.58 -33.63 76.36 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 -179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 127' ' ' ILE . 90.5 t -71.2 -38.66 71.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.136 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 29.4 ttpt -73.34 -25.36 60.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.36 -35.22 71.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.921 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.47 -37.51 63.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.131 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -55.16 -34.26 63.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.6 -60.09 4.16 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.541 -179.859 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 68.9 mm-40 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.957 0.408 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.35 -43.34 64.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.635 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.6 p -52.98 -58.35 7.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 24.2 m-20 -44.57 -37.94 3.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.78 59.46 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.935 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . . . . . . . . . 24.7 mm-40 -50.9 -47.82 60.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.857 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.635 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.76 -49.24 81.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.57 -49.65 65.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.178 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.982 HG21 HD11 ' B' ' 110' ' ' LEU . 57.7 mt -54.9 -52.2 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.149 179.819 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.014 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.07 -49.0 43.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.905 179.897 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.419 ' O ' HG23 ' A' ' 15' ' ' VAL . 67.5 t -55.43 -49.75 70.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.871 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -64.97 -39.24 96.33 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.509 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.01 -36.4 77.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 111.124 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.77 78.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.077 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.419 HG23 ' O ' ' A' ' 11' ' ' VAL . 86.2 t -61.0 -48.19 90.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.17 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.4 mm -57.68 -41.65 79.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.126 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.89 -40.5 95.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.075 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -62.82 -45.24 93.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.914 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.42 -53.18 61.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.835 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.4 m-85 -51.58 -47.38 63.54 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 1.7 t-105 -54.55 -53.5 53.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.72 -49.79 76.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.937 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 1.087 HD21 HD11 ' B' ' 124' ' ' LEU . 0.0 OUTLIER -55.78 -41.17 73.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.891 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 1.137 HD11 HD21 ' B' ' 123' ' ' LEU . 1.7 tp -60.51 -44.2 96.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 69.4 t -59.38 -48.36 87.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.161 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -58.76 -42.73 86.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.123 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.809 HG21 HG21 ' B' ' 127' ' ' ILE . 92.0 mt -61.66 -46.5 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.085 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 15.0 mt -68.39 -23.15 64.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.944 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -71.75 -51.56 22.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.44 -33.19 75.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.142 -179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.524 HG23 ' O ' ' A' ' 27' ' ' ILE . 82.2 t -74.44 -38.47 46.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.125 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -73.21 -24.58 60.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.897 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.81 -36.53 73.0 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -66.64 -36.87 83.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.082 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -53.24 -28.99 30.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.915 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.71 61.93 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.512 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.488 -179.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.913 0.387 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -52.46 -43.09 64.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.632 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.4 p -53.4 -58.34 7.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 23.2 m-20 -44.66 -38.11 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.28 -46.73 60.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.917 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 110' ' ' LEU . 24.7 mm-40 -50.83 -47.86 60.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.632 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.71 -49.48 80.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.5 mt -54.29 -49.9 60.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.086 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.014 HG21 HD11 ' A' ' 10' ' ' LEU . 55.5 mt -54.76 -52.21 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.142 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.03 -48.88 43.4 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.935 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.409 ' O ' HG23 ' B' ' 115' ' ' VAL . 69.5 t -55.52 -49.69 71.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.791 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.07 -39.18 96.16 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.512 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -69.03 -36.47 77.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.817 0.342 . . . . 0.0 111.142 -179.873 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.13 -48.41 76.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.409 HG23 ' O ' ' B' ' 111' ' ' VAL . 84.5 t -60.65 -47.76 91.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.9 mm -57.92 -42.17 81.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.141 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.0 -41.03 95.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.075 179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -62.47 -45.51 92.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -57.85 -50.84 71.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -53.47 -48.53 68.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.898 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -53.73 -53.11 56.77 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.84 -50.07 74.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.971 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 1.137 HD21 HD11 ' A' ' 24' ' ' LEU . 0.0 OUTLIER -55.92 -40.24 72.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.882 179.914 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 1.087 HD11 HD21 ' A' ' 23' ' ' LEU . 2.5 tp -61.56 -42.86 99.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.917 179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 73.3 t -60.74 -47.97 90.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.144 179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.77 -42.79 90.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.15 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.809 HG21 HG21 ' A' ' 27' ' ' ILE . 85.1 mt -61.77 -44.74 99.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.3 mt -69.46 -23.95 63.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.945 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -71.54 -50.97 26.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.882 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.76 -33.79 76.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.104 -179.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.524 HG23 ' O ' ' B' ' 127' ' ' ILE . 83.6 t -74.92 -38.63 43.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.6 ttpm? -72.26 -24.91 61.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -70.46 -37.79 74.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -67.19 -37.15 83.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.116 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.3 t-20 -53.48 -29.68 37.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 143.62 62.15 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.484 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.487 -179.895 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.883 0.373 . . . . 0.0 110.861 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -72.61 -41.45 65.58 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.7 p -51.99 -58.89 5.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.159 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.8 m120 -44.85 -38.02 4.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.39 -46.57 59.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.94 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.406 ' O ' HD23 ' A' ' 10' ' ' LEU . 16.3 mm-40 -50.93 -47.99 60.83 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.897 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.75 -49.5 79.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.106 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.1 mt -53.77 -50.28 52.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.968 HG21 HD11 ' B' ' 110' ' ' LEU . 63.0 mt -54.72 -51.76 48.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.144 179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.985 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.11 -48.68 44.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.959 179.886 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.424 ' O ' HG23 ' A' ' 15' ' ' VAL . 65.5 t -56.12 -49.5 75.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.143 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.2 -38.01 94.7 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.512 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.25 -36.87 74.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.795 0.331 . . . . 0.0 111.117 -179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.88 78.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.087 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.424 HG23 ' O ' ' A' ' 11' ' ' VAL . 76.2 t -61.49 -49.04 86.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.175 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.09 -39.67 73.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.058 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.69 -43.15 97.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.113 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.7 -39.06 90.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.882 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.27 -54.3 39.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.88 -39.67 62.86 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.912 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.416 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.8 t-105 -60.63 -54.91 39.66 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.908 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.28 -49.44 75.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.949 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.805 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.85 -39.6 78.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.918 179.883 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.789 ' CD1' HD21 ' B' ' 123' ' ' LEU . 10.3 tp -62.46 -40.83 97.9 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.9 t -62.68 -49.09 85.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.6 mt -56.99 -44.88 83.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.6 ' O ' HG23 ' A' ' 31' ' ' VAL . 39.6 mt -60.58 -46.73 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.448 HD11 ' HG ' ' A' ' 24' ' ' LEU . 7.3 mt -66.21 -28.25 68.61 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.21 -51.28 55.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.866 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.68 -33.92 77.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.125 -179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 27' ' ' ILE . 93.9 t -71.25 -39.74 73.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.164 179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.24 -25.4 61.62 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.49 -34.14 72.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.24 -36.07 68.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -61.96 -32.2 72.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.7 -37.33 52.05 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.558 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.134 -0.814 . . . . 0.0 112.482 -179.952 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 19.5 mt-10 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.891 0.377 . . . . 0.0 110.865 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 10.2 ptmt -73.03 -41.32 64.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.634 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.6 p -52.06 -59.03 4.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 17.9 m120 -44.79 -38.01 4.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.51 -46.52 59.47 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.404 ' O ' HD23 ' B' ' 110' ' ' LEU . 16.5 mm-40 -50.89 -48.0 60.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.634 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.87 -49.43 79.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.84 -50.24 53.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.985 HG21 HD11 ' A' ' 10' ' ' LEU . 63.2 mt -54.77 -51.71 49.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.119 179.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.968 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.19 -48.71 45.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.93 179.91 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.413 ' O ' HG23 ' B' ' 115' ' ' VAL . 65.1 t -56.07 -49.51 75.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.24 -37.87 94.49 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.466 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.36 -36.77 74.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.761 0.315 . . . . 0.0 111.088 -179.84 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.74 78.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.413 HG23 ' O ' ' B' ' 111' ' ' VAL . 75.4 t -61.62 -48.94 86.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.0 mm -58.15 -39.64 73.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.101 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.65 -43.04 97.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 9.1 tmm? -61.81 -39.04 90.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.864 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -63.36 -54.24 39.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.99 -39.58 63.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.902 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . 0.423 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.7 t-105 -60.65 -54.88 39.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.43 -49.26 76.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.789 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.95 -39.74 78.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.905 179.904 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.805 ' CD1' HD21 ' A' ' 23' ' ' LEU . 10.2 tp -62.35 -40.85 97.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.904 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 121' ' ' TRP . 76.5 t -62.68 -49.11 85.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.135 179.845 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.6 mt -57.0 -44.72 83.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.169 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.615 ' O ' HG23 ' B' ' 131' ' ' VAL . 40.1 mt -60.61 -46.75 95.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.142 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.449 HD11 ' HG ' ' B' ' 124' ' ' LEU . 7.2 mt -66.38 -28.09 68.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.895 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -67.26 -51.1 57.07 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.81 -33.94 77.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.145 -179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.615 HG23 ' O ' ' B' ' 127' ' ' ILE . 95.4 t -71.19 -39.62 73.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -72.59 -25.15 61.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.917 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -70.73 -34.25 71.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.84 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -71.56 -35.92 70.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.095 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -62.53 -32.22 73.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -74.3 -37.29 48.39 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.514 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.893 0.378 . . . . 0.0 110.86 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.96 -38.18 3.71 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.63 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.2 p -51.69 -58.74 5.52 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.08 -38.05 4.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.9 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.92 -45.48 61.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 10' ' ' LEU . 38.9 mm-40 -51.52 -48.18 63.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.63 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.3 -49.5 78.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.131 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.8 mt -53.4 -50.82 46.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.016 HG21 HD11 ' B' ' 110' ' ' LEU . 32.1 mm -54.86 -51.58 51.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.133 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.018 HD11 HG21 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -48.91 -48.71 42.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.951 179.88 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.426 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.5 t -56.33 -49.08 78.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.15 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.57 -37.69 93.9 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.679 -0.772 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.53 -36.74 73.88 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.748 0.308 . . . . 0.0 111.121 -179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.28 -47.53 79.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.088 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.426 HG23 ' O ' ' A' ' 11' ' ' VAL . 81.8 t -61.76 -48.7 87.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.179 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.5 mm -57.87 -39.01 69.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.127 179.896 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.73 -43.82 95.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.098 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 38.5 mtp -61.45 -39.39 90.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.831 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.63 -53.51 53.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.895 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -53.79 -39.52 65.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.871 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.421 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.1 t-105 -60.46 -54.65 43.0 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.926 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 17.7 mt -62.91 -49.34 75.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.909 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.81 -39.6 77.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 179.876 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.791 ' CD1' HD21 ' B' ' 123' ' ' LEU . 6.8 tp -62.4 -41.52 98.73 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.887 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.7 t -62.1 -48.87 86.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.118 179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 51.7 mt -57.27 -45.54 84.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.647 ' O ' HG23 ' A' ' 31' ' ' VAL . 44.2 mt -60.0 -46.09 94.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 179.862 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.423 HD11 ' HG ' ' A' ' 24' ' ' LEU . 8.4 mt -66.1 -28.38 68.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 95.3 mtt180 -68.26 -47.05 68.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.28 -33.64 75.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.18 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 27' ' ' ILE . 96.6 t -68.4 -39.91 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.1 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -77.16 -24.69 51.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.95 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -72.23 -32.23 66.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -68.47 -32.62 72.75 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.064 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.15 -35.71 71.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.868 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.36 62.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.497 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.508 -179.894 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 6.5 mt-10 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.92 0.391 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.63 -38.45 5.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.2 p -53.71 -58.59 6.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.135 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 -45.06 -38.02 4.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.894 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.87 -45.65 60.61 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.89 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.415 ' O ' HD23 ' B' ' 110' ' ' LEU . 39.6 mm-40 -51.39 -48.41 62.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.864 179.916 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.11 -49.36 79.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.105 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 53.1 mt -53.54 -50.88 47.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.131 179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.018 HG21 HD11 ' A' ' 10' ' ' LEU . 32.3 mm -54.64 -51.59 49.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.113 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 1.016 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.01 -48.7 43.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.939 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.424 ' O ' HG23 ' B' ' 115' ' ' VAL . 63.3 t -56.28 -49.12 78.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.164 179.836 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.5 -37.9 94.21 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.27 -36.81 74.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.8 0.333 . . . . 0.0 111.182 -179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.22 -47.48 79.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.1 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 111' ' ' VAL . 81.9 t -61.79 -48.39 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.164 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -58.28 -39.07 72.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.154 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.86 -43.37 96.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.101 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 39.0 mtp -61.71 -39.32 91.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -62.79 -53.57 52.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.843 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.8 m-85 -53.75 -39.53 65.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.867 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . 0.424 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.1 t-105 -60.56 -54.64 42.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 17.4 mt -62.74 -49.47 74.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.791 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.7 -39.5 77.35 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.961 179.866 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.793 ' CD1' HD21 ' A' ' 23' ' ' LEU . 6.9 tp -62.54 -41.53 98.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.914 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.424 HG23 ' O ' ' B' ' 121' ' ' TRP . 76.0 t -62.01 -48.89 86.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.192 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 51.0 mt -57.27 -45.51 84.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.097 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.635 ' O ' HG23 ' B' ' 131' ' ' VAL . 44.9 mt -60.17 -45.98 95.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.126 179.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . 0.426 HD11 ' HG ' ' B' ' 124' ' ' LEU . 8.3 mt -66.16 -28.3 68.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.943 179.844 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -68.22 -47.21 68.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.907 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -67.31 -33.61 75.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.114 -179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.639 HG22 HG22 ' A' ' 31' ' ' VAL . 96.8 t -68.48 -39.9 81.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.108 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 2.9 pttp -77.11 -24.76 51.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.887 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 1.5 mmm-85 -72.18 -31.99 66.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -69.02 -32.65 72.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -58.5 -35.74 72.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 152.35 62.27 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.487 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.523 -179.899 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.961 0.41 . . . . 0.0 110.837 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.06 -36.8 3.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.638 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.7 p -51.67 -58.22 6.98 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.153 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -44.65 -38.05 4.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.896 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.38 -46.77 59.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.407 ' O ' HD23 ' A' ' 10' ' ' LEU . 48.8 mm-40 -50.71 -47.96 58.9 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.638 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.84 -49.62 79.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.163 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.4 mt -53.75 -50.03 53.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.113 179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.979 HG21 HD11 ' B' ' 110' ' ' LEU . 59.9 mt -54.88 -51.81 49.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.997 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.15 -48.88 44.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.908 179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.435 ' O ' HG23 ' A' ' 15' ' ' VAL . 68.0 t -55.8 -49.55 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.165 179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.18 -38.17 94.91 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.443 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.11 -36.74 75.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.766 0.317 . . . . 0.0 111.118 -179.846 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.06 -47.48 79.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.119 179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 11' ' ' VAL . 68.6 t -61.84 -48.33 89.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.115 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -58.75 -40.35 79.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.6 -42.3 98.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.106 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.22 -38.74 90.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -54.28 37.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.909 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.62 -40.32 62.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.916 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.527 ' O ' HG23 ' A' ' 25' ' ' VAL . 3.5 t-105 -60.36 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 70.3 mt -61.76 -48.88 78.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.939 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.811 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -58.16 -41.1 83.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 179.85 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.798 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.8 tp -61.1 -40.39 93.57 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.527 HG23 ' O ' ' A' ' 21' ' ' TRP . 98.1 t -63.04 -50.69 78.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.083 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.33 -42.56 74.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.108 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.569 HG21 HG21 ' B' ' 127' ' ' ILE . 53.6 mt -60.6 -48.37 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.22 -25.83 65.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 51.8 mtt-85 -66.75 -55.55 14.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.851 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.67 -33.72 76.62 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.139 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.532 HG23 ' O ' ' A' ' 27' ' ' ILE . 68.8 t -73.78 -37.0 47.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.123 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 19.0 mtpp -73.57 -24.69 60.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.873 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.5 -37.41 74.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.886 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.3 -32.04 72.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.065 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -62.09 -30.84 71.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -93.94 -73.22 1.2 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.45 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.159 -0.8 . . . . 0.0 112.478 -179.887 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.885 0.374 . . . . 0.0 110.926 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.38 -36.9 3.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.901 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.627 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.4 p -51.71 -58.68 5.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.129 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 28.5 m-20 -44.68 -37.98 4.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.882 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.44 -46.73 59.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.401 ' O ' HD23 ' B' ' 110' ' ' LEU . 48.4 mm-40 -50.8 -47.82 59.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.627 HD12 ' O ' ' B' ' 103' ' ' THR . 3.8 mp -64.89 -49.57 79.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.133 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 47.9 mt -53.88 -50.04 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.155 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.997 HG21 HD11 ' A' ' 10' ' ' LEU . 61.0 mt -54.82 -51.93 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.11 179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.979 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.03 -48.87 43.42 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 179.896 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.428 ' O ' HG23 ' B' ' 115' ' ' VAL . 68.5 t -55.9 -49.6 73.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.139 179.836 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -38.19 95.05 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.486 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.09 -36.89 75.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.805 0.336 . . . . 0.0 111.115 -179.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -47.23 81.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.061 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.428 HG23 ' O ' ' B' ' 111' ' ' VAL . 68.5 t -62.03 -48.23 89.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.12 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 29.2 mm -58.87 -40.47 80.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.119 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.67 -42.06 98.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.077 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 26.8 ttm -62.31 -38.59 90.01 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.2 -53.88 42.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.884 -179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.5 m-85 -52.91 -40.45 63.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . 0.516 ' O ' HG23 ' B' ' 125' ' ' VAL . 3.7 t-105 -60.3 -54.92 39.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.935 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 69.4 mt -61.84 -48.97 78.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.872 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.798 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.13 -41.16 83.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.911 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.811 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.9 tp -60.91 -40.65 93.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.911 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.516 HG23 ' O ' ' B' ' 121' ' ' TRP . 98.2 t -62.83 -50.74 78.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.095 179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.2 mt -56.32 -42.45 74.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.569 HG21 HG21 ' A' ' 27' ' ' ILE . 52.9 mt -60.62 -48.49 88.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.105 179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.6 mt -68.15 -25.94 65.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.926 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.2 mtt-85 -66.63 -55.37 15.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.881 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -64.82 -33.8 76.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.154 -179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.539 HG23 ' O ' ' B' ' 127' ' ' ILE . 70.8 t -73.62 -37.07 48.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.14 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 19.1 mtpp -73.66 -24.71 60.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -70.44 -37.35 74.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.63 -32.28 73.28 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -61.9 -30.95 71.22 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.881 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -93.82 -73.47 1.22 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.483 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.478 -179.925 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.925 0.393 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -117.71 -69.93 0.82 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.2 p -51.81 -58.94 4.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.119 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -44.81 -37.77 4.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.57 -46.78 58.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.405 ' O ' HD23 ' A' ' 10' ' ' LEU . 46.4 mm-40 -50.86 -47.85 60.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 3' ' ' THR . 3.8 mp -64.97 -49.23 80.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.091 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 mt -54.17 -49.8 59.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.981 HG21 HD11 ' B' ' 110' ' ' LEU . 56.1 mt -55.15 -51.62 53.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.0 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.33 -48.73 46.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.944 179.901 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.451 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.7 t -56.0 -49.11 77.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.127 179.827 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.52 -38.25 94.56 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.456 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.0 -36.81 75.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 0.0 111.16 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.14 -47.12 81.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.101 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.451 HG23 ' O ' ' A' ' 11' ' ' VAL . 68.2 t -62.08 -47.54 92.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.8 mm -59.11 -41.45 83.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.126 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.15 -41.0 99.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.08 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.5 ttm -62.77 -39.76 95.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.61 -54.54 34.29 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.39 -40.46 62.1 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.887 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.501 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 t-105 -60.13 -55.15 37.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.904 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 32.7 mt -61.62 -49.07 78.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.897 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.806 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -57.95 -41.13 82.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.962 179.888 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.801 ' CD1' HD21 ' B' ' 123' ' ' LEU . 13.2 tp -60.77 -40.91 94.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.939 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 21' ' ' TRP . 96.2 t -62.72 -50.38 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.093 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 49.5 mt -56.55 -42.0 74.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.139 179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.58 HG21 HG21 ' B' ' 127' ' ' ILE . 54.4 mt -60.87 -48.81 87.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 10.6 mt -67.77 -26.1 65.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.0 mtt-85 -66.45 -54.89 18.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.19 -33.3 75.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.136 -179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.554 HG23 ' O ' ' A' ' 27' ' ' ILE . 76.8 t -73.94 -37.4 47.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 3.1 tttm -73.95 -24.38 59.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -70.57 -36.58 73.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.88 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.26 -37.03 83.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.22 -26.89 65.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -71.84 -58.07 5.49 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.495 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.488 -179.933 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.959 0.409 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 46.9 mttm -117.76 -69.92 0.82 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.635 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.2 p -51.73 -58.92 5.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -44.83 -37.82 4.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.47 -46.82 58.9 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.403 ' O ' HD23 ' B' ' 110' ' ' LEU . 46.9 mm-40 -50.84 -47.85 60.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.898 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.635 HD12 ' O ' ' B' ' 103' ' ' THR . 3.8 mp -64.96 -49.28 80.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.143 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.4 mt -54.12 -49.7 59.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.166 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.0 HG21 HD11 ' A' ' 10' ' ' LEU . 56.6 mt -55.23 -51.69 52.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.981 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.26 -48.75 45.62 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 179.919 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.439 ' O ' HG23 ' B' ' 115' ' ' VAL . 62.3 t -56.06 -49.2 76.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.097 179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.42 -38.08 94.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.535 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -36.81 74.96 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.78 0.324 . . . . 0.0 111.125 -179.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.17 -47.16 80.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.109 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.439 HG23 ' O ' ' B' ' 111' ' ' VAL . 70.1 t -62.11 -47.66 92.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.6 mm -59.01 -41.22 82.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.147 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.12 -41.27 99.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.084 179.826 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.6 ttm -62.73 -39.53 94.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.886 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.65 -54.76 30.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -52.29 -40.45 61.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . 0.497 ' O ' HG23 ' B' ' 125' ' ' VAL . 4.0 t-105 -59.98 -55.19 37.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.943 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 33.0 mt -61.68 -49.01 78.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.801 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -57.95 -41.12 82.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.921 179.887 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.806 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.6 tp -60.82 -41.03 94.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.497 HG23 ' O ' ' B' ' 121' ' ' TRP . 97.3 t -62.6 -50.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.128 179.826 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 49.6 mt -56.47 -42.22 74.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.119 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.58 HG21 HG21 ' A' ' 27' ' ' ILE . 53.1 mt -60.7 -48.83 87.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.862 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 10.8 mt -68.02 -25.53 65.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 52.5 mtt-85 -66.91 -55.03 16.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.31 -33.26 75.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.548 HG23 ' O ' ' B' ' 127' ' ' ILE . 76.1 t -74.15 -37.43 46.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.145 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 3.3 tmtm? -73.97 -24.63 59.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.948 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -70.21 -36.92 74.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.944 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -62.19 -36.88 83.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.101 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -68.13 -26.23 65.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.916 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -72.14 -58.04 5.37 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.486 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.493 -179.885 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.897 0.379 . . . . 0.0 110.908 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 17.3 ptpt -80.38 -40.96 25.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.64 ' O ' HD12 ' A' ' 7' ' ' ILE . 41.1 p -53.97 -58.9 5.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.139 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.88 -37.71 4.09 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.919 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.61 -46.62 58.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.958 179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.412 ' O ' HD23 ' A' ' 10' ' ' LEU . 28.2 mm-40 -51.01 -47.81 61.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.64 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.01 -49.12 81.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.117 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -54.21 -49.78 60.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.135 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.983 HG21 HD11 ' B' ' 110' ' ' LEU . 56.9 mt -55.27 -51.64 53.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.127 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.008 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -49.17 -48.8 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.914 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.427 ' O ' HG23 ' A' ' 15' ' ' VAL . 62.1 t -56.05 -49.16 77.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.868 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.51 -38.04 94.35 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.509 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.14 -36.65 74.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.761 0.315 . . . . 0.0 111.117 -179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.38 -46.74 82.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.137 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 11' ' ' VAL . 93.2 t -62.38 -47.48 92.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.163 179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.3 mm -59.14 -41.03 82.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.152 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.3 -41.41 98.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.043 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.71 -39.21 93.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.79 -54.71 30.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.43 -40.14 61.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.894 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.5 ' O ' HG23 ' A' ' 25' ' ' VAL . 4.0 t-105 -60.28 -55.1 37.82 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.928 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 28.7 mt -61.81 -49.05 77.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.797 HD21 ' CD1' ' B' ' 124' ' ' LEU . 0.0 OUTLIER -58.01 -40.9 81.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.959 179.883 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.79 ' CD1' HD21 ' B' ' 123' ' ' LEU . 12.9 tp -60.9 -41.18 95.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.931 179.881 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.5 HG23 ' O ' ' A' ' 21' ' ' TRP . 97.0 t -62.54 -50.45 79.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.126 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.36 -42.28 73.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.11 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.551 HG21 HG21 ' B' ' 127' ' ' ILE . 52.2 mt -60.59 -48.58 87.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.096 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 13.4 mt -68.6 -25.43 64.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.939 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.73 -55.22 16.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.38 -33.85 76.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.176 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 27' ' ' ILE . 76.0 t -73.53 -36.18 47.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 17.1 tptm -74.56 -25.15 59.11 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 5.1 mmm-85 -71.68 -33.7 69.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.54 -33.79 47.59 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.086 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -69.61 -26.68 64.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -100.32 -38.06 3.63 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.133 -0.815 . . . . 0.0 112.489 -179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.974 0.416 . . . . 0.0 110.943 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt -80.4 -41.0 25.39 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 41.1 p -54.18 -58.79 6.03 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.183 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -44.85 -37.75 4.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.884 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.56 -46.71 58.67 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.406 ' O ' HD23 ' B' ' 110' ' ' LEU . 28.3 mm-40 -50.95 -47.84 61.1 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.04 -49.04 81.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.112 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.4 mt -54.25 -49.88 60.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.082 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.008 HG21 HD11 ' A' ' 10' ' ' LEU . 56.4 mt -55.14 -51.71 52.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.163 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.983 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -49.17 -48.73 44.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.915 179.886 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.422 ' O ' HG23 ' B' ' 115' ' ' VAL . 62.1 t -56.07 -49.24 76.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.097 179.859 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.48 -38.07 94.42 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.504 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.04 -36.68 75.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.789 0.328 . . . . 0.0 111.183 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.37 -46.72 82.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.422 HG23 ' O ' ' B' ' 111' ' ' VAL . 91.3 t -62.37 -47.47 92.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.106 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -59.21 -41.12 82.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.146 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.18 -41.33 99.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.147 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 8.8 tpt -62.79 -39.27 93.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -63.83 -54.67 31.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.6 m-85 -52.46 -40.2 61.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.921 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . 0.492 ' O ' HG23 ' B' ' 125' ' ' VAL . 4.1 t-105 -60.32 -55.03 38.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 28.6 mt -61.88 -49.01 77.95 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.874 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.79 HD21 ' CD1' ' A' ' 24' ' ' LEU . 0.0 OUTLIER -58.07 -40.88 82.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.89 179.926 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.797 ' CD1' HD21 ' A' ' 23' ' ' LEU . 13.0 tp -60.93 -41.21 95.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.943 179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.492 HG23 ' O ' ' B' ' 121' ' ' TRP . 97.0 t -62.55 -50.49 79.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.117 179.837 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 50.4 mt -56.23 -42.34 73.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.148 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.551 HG21 HG21 ' A' ' 27' ' ' ILE . 51.9 mt -60.64 -48.59 87.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.158 179.862 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 13.2 mt -68.52 -25.56 65.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 53.2 mtt-85 -66.53 -55.24 16.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.885 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.42 -33.75 76.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.174 -179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.504 HG23 ' O ' ' B' ' 127' ' ' ILE . 76.7 t -73.6 -36.2 46.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.125 179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 17.0 tptm -74.29 -25.52 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 5.0 mmm-85 -71.07 -34.27 71.02 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.14 -33.26 56.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.142 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.5 m-80 -69.03 -26.22 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.914 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -100.34 -37.96 3.65 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.393 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.49 -179.925 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.949 0.404 . . . . 0.0 110.89 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 22.8 mttp -126.98 -70.13 0.73 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.858 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.637 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.5 p -53.63 -58.97 5.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.151 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.75 -38.04 4.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.898 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.54 -46.49 59.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.411 ' O ' HD23 ' A' ' 10' ' ' LEU . 13.4 mm-40 -50.86 -48.2 60.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.637 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -64.83 -49.2 81.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.13 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 49.0 mt -53.85 -50.25 53.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.16 179.837 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.982 HG21 HD11 ' B' ' 110' ' ' LEU . 63.6 mt -54.88 -51.89 48.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.083 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.999 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.76 -49.16 39.72 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.927 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.3 t -55.98 -48.88 78.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.15 179.834 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.65 -37.4 93.52 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -70.8 -36.32 72.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.819 0.342 . . . . 0.0 111.166 -179.873 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.58 -48.97 72.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 79.1 t -61.0 -50.2 81.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.15 -42.85 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.141 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.45 -43.06 97.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.097 179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 6.2 mmt -62.53 -36.05 81.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -65.45 -58.58 5.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.902 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.33 -37.73 49.31 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.874 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.433 ' O ' HG23 ' A' ' 25' ' ' VAL . 11.2 t-105 -60.86 -58.52 8.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.916 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 9.0 mp -59.92 -43.9 94.63 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.934 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 HD11 ' A' ' 27' ' ' ILE . 0.3 OUTLIER -56.83 -45.89 82.04 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.948 179.875 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.485 ' CD1' HD21 ' B' ' 123' ' ' LEU . 5.3 tp -61.51 -37.75 84.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.905 179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.5 t -61.19 -49.4 84.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.139 179.809 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.2 mt -59.01 -43.16 88.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.762 HD11 HD11 ' A' ' 23' ' ' LEU . 92.1 mt -61.48 -45.46 98.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.168 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 9.4 mt -68.92 -25.19 64.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.949 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 88.5 mtt180 -69.73 -52.6 24.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.57 -33.79 76.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.553 HG23 ' O ' ' A' ' 27' ' ' ILE . 85.2 t -74.66 -38.96 46.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.121 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.92 -23.0 60.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.94 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.6 -37.12 68.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -64.41 -34.84 79.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.079 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -68.32 -29.74 68.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -87.86 -51.96 3.08 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.43 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.509 -179.903 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.917 0.389 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 23.1 mttp -126.68 -70.35 0.73 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.633 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.6 p -53.19 -58.9 5.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.131 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -44.79 -38.02 4.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.885 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.7 mt -71.53 -46.42 59.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.407 ' O ' HD23 ' B' ' 110' ' ' LEU . 13.2 mm-40 -50.97 -48.15 61.16 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.633 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -64.69 -49.28 81.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.153 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 48.5 mt -53.76 -50.46 51.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.143 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 0.999 HG21 HD11 ' A' ' 10' ' ' LEU . 61.3 mt -54.68 -51.84 47.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.139 179.834 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.982 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.85 -48.93 41.45 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.957 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 64.1 t -56.17 -48.95 78.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.79 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.63 -37.23 93.37 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -71.01 -36.41 72.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.797 0.332 . . . . 0.0 111.131 -179.831 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.52 -48.35 75.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 97.6 t -61.46 -50.21 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.179 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.9 mm -56.31 -43.0 75.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.131 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.56 -42.68 97.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.086 179.814 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 5.9 mmt -62.65 -36.12 81.84 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -58.48 5.61 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.52 -37.2 48.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 -179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . 0.416 ' O ' HG23 ' B' ' 125' ' ' VAL . 11.3 t-105 -61.28 -58.5 8.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.957 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 8.9 mp -60.1 -43.43 95.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.751 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -57.09 -45.85 83.04 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.934 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.491 ' CD1' HD21 ' A' ' 23' ' ' LEU . 5.2 tp -61.51 -38.11 86.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . 0.416 HG23 ' O ' ' B' ' 121' ' ' TRP . 78.5 t -60.85 -49.6 83.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.12 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 45.5 mt -58.88 -42.66 86.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.154 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.751 HD11 HD11 ' B' ' 123' ' ' LEU . 94.4 mt -61.76 -45.61 98.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.151 179.867 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.97 -25.02 64.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 89.3 mtt180 -69.78 -52.03 28.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -66.06 -33.86 76.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.187 -179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.56 HG23 ' O ' ' B' ' 127' ' ' ILE . 91.4 t -74.6 -38.84 46.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.127 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.95 -23.47 60.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -72.04 -37.63 69.66 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.852 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -64.36 -34.73 78.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.059 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -69.13 -28.96 66.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.842 -179.874 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -87.57 -52.02 3.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.482 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.492 -179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.89 0.376 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -35.09 9.09 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.891 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.631 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.4 p -52.73 -58.6 6.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.167 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 49.2 m-20 -45.03 -37.95 4.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.03 -45.46 60.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.415 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.4 mm-40 -51.55 -47.95 63.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.871 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.631 HD12 ' O ' ' A' ' 3' ' ' THR . 4.0 mp -65.51 -49.56 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.145 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 52.6 mt -53.68 -50.07 53.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 1.021 HG21 HD11 ' B' ' 110' ' ' LEU . 31.2 mm -55.41 -51.52 56.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.042 HD11 HG21 ' B' ' 109' ' ' ILE . 0.7 OUTLIER -48.87 -49.32 40.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.932 179.893 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 65.0 t -55.98 -49.25 76.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.112 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.27 -37.34 93.86 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.448 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.95 -36.75 72.73 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.776 0.322 . . . . 0.0 111.144 -179.842 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.12 -48.06 77.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.115 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 84.1 t -61.7 -50.78 78.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.105 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.78 -42.12 68.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.62 -44.41 96.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.134 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 35.1 ttm -61.47 -36.47 80.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.853 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.54 -57.22 9.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.51 -39.45 57.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -59.86 -57.78 11.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.943 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 18.4 mt -60.03 -44.73 94.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.748 HD11 HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -56.33 -44.62 80.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.927 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.527 ' CD1' HD21 ' B' ' 123' ' ' LEU . 5.0 tp -62.26 -38.47 89.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 77.3 t -60.9 -48.56 88.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.087 179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 44.4 mt -59.52 -43.15 90.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.096 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.748 HD11 HD11 ' A' ' 23' ' ' LEU . 97.7 mt -62.13 -45.14 99.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.95 -24.64 65.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.933 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.2 mtt180 -71.6 -50.8 27.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.888 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.4 -33.73 76.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.122 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 27' ' ' ILE . 90.7 t -71.91 -39.01 66.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.8 -25.56 61.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.26 -33.55 71.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.49 -36.74 63.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.075 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -53.47 -31.99 48.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.906 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 143.63 57.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.461 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.491 -179.921 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 25.8 mm-40 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.945 0.402 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.01 -34.02 9.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.629 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.8 p -52.88 -58.66 6.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.143 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 49.0 m-20 -45.09 -37.91 4.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -72.09 -45.38 60.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.421 ' O ' HD23 ' B' ' 110' ' ' LEU . 6.5 mm-40 -51.56 -47.96 63.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.629 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.49 -49.65 76.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.117 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 52.5 mt -53.56 -50.13 51.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.15 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.042 HG21 HD11 ' A' ' 10' ' ' LEU . 31.0 mm -55.29 -51.6 54.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.121 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 1.021 HD11 HG21 ' A' ' 9' ' ' ILE . 0.7 OUTLIER -48.9 -49.16 41.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.932 179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . . . . . . . . . 65.1 t -56.11 -49.12 77.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.174 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.33 -37.31 93.76 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.512 179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.92 -36.82 72.82 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.833 0.349 . . . . 0.0 111.152 -179.866 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -64.05 -47.9 78.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.162 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . . . . . . . . . 84.4 t -61.82 -50.76 78.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.088 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 28.4 mm -55.87 -42.09 69.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.103 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.75 -44.27 96.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.1 179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 35.3 ttm -61.61 -36.37 80.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.848 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -64.67 -57.06 10.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.925 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 13.9 m-85 -51.67 -39.41 58.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 10.0 t-105 -59.82 -57.72 11.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.948 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 18.3 mt -60.18 -44.9 94.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.949 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.757 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -56.08 -44.57 79.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.906 179.85 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.529 ' CD1' HD21 ' A' ' 23' ' ' LEU . 4.9 tp -62.33 -38.65 90.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 78.0 t -60.77 -48.48 88.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.107 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.1 mt -59.56 -43.24 90.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.113 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.757 HD11 HD11 ' B' ' 123' ' ' LEU . 97.5 mt -61.86 -45.32 98.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.157 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 8.2 mt -67.97 -24.64 65.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.928 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -71.59 -50.82 27.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.852 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.48 -33.69 76.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.16 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.588 HG23 ' O ' ' B' ' 127' ' ' ILE . 90.0 t -71.95 -39.1 66.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -72.69 -25.61 61.31 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.889 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -70.21 -33.66 71.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.879 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -74.26 -36.66 63.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.05 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 10.9 t-20 -53.54 -31.91 48.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . 143.74 57.46 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.476 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.508 -179.86 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.951 0.405 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.86 -42.35 97.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' THR . . . . . 0.636 ' O ' HD12 ' A' ' 7' ' ' ILE . 40.8 p -53.22 -58.6 6.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.167 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.77 -38.05 4.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.5 -46.56 59.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.957 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLU . . . . . 0.404 ' O ' HD23 ' A' ' 10' ' ' LEU . 6.8 mm-40 -50.78 -47.86 59.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ILE . . . . . 0.636 HD12 ' O ' ' A' ' 3' ' ' THR . 3.9 mp -65.08 -49.55 78.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.9 mt -53.78 -49.39 58.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.123 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.979 HG21 HD11 ' B' ' 110' ' ' LEU . 69.3 mt -55.71 -51.35 60.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 1.002 HD11 HG21 ' B' ' 109' ' ' ILE . 0.6 OUTLIER -49.21 -49.41 43.04 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 179.938 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . 0.42 ' O ' HG23 ' A' ' 15' ' ' VAL . 64.3 t -55.87 -49.2 76.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.096 179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -65.29 -37.35 93.85 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.469 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.9 -36.78 72.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.754 0.312 . . . . 0.0 111.114 -179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.15 -46.88 82.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.132 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . 0.42 HG23 ' O ' ' A' ' 11' ' ' VAL . 76.2 t -62.64 -49.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.104 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 27.7 mm -56.51 -42.54 75.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.173 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.66 -43.85 97.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.137 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' MET . . . . . . . . . . . . . 13.8 mmt -61.88 -36.31 80.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.92 -57.65 8.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.884 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -51.49 -38.85 55.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.862 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TRP . . . . . 0.4 ' O ' HG23 ' A' ' 25' ' ' VAL . 9.9 t-105 -60.21 -57.84 11.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.909 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LEU . . . . . . . . . . . . . 3.4 mp -60.24 -44.74 94.98 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.889 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.76 HD11 HD11 ' A' ' 27' ' ' ILE . 0.2 OUTLIER -56.27 -44.74 80.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.923 179.896 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' HD21 ' B' ' 123' ' ' LEU . 4.8 tp -62.24 -38.62 89.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.4 HG23 ' O ' ' A' ' 21' ' ' TRP . 76.6 t -60.62 -48.35 89.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.189 179.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ILE . . . . . . . . . . . . . 45.0 mt -59.86 -42.63 89.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ILE . . . . . 0.76 HD11 HD11 ' A' ' 23' ' ' LEU . 93.9 mt -62.47 -45.39 98.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.092 179.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.35 -25.43 65.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 92.9 mtt180 -71.22 -50.03 37.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.36 -33.67 76.51 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.127 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 27' ' ' ILE . 87.7 t -69.98 -39.17 77.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.103 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LYS . . . . . . . . . . . . . 9.4 mttt -73.36 -26.63 61.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.913 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.79 -31.85 71.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.882 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.94 -34.9 66.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.093 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -53.49 -33.72 55.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.843 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -84.29 -58.39 2.2 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.494 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.533 -179.916 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.945 0.402 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -42.51 98.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.94 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' THR . . . . . 0.634 ' O ' HD12 ' B' ' 107' ' ' ILE . 40.7 p -53.83 -58.67 6.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.111 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -44.81 -37.97 4.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' LEU . . . . . . . . . . . . . 1.8 mt -71.62 -46.48 59.02 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.902 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' GLU . . . . . 0.405 ' O ' HD23 ' B' ' 110' ' ' LEU . 6.7 mm-40 -50.92 -47.84 60.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ILE . . . . . 0.634 HD12 ' O ' ' B' ' 103' ' ' THR . 3.9 mp -65.07 -49.55 78.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.12 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ILE . . . . . . . . . . . . . 49.1 mt -53.76 -49.42 57.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.132 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ILE . . . . . 1.002 HG21 HD11 ' A' ' 10' ' ' LEU . 70.3 mt -55.75 -51.48 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.102 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 110' ' ' LEU . . . . . 0.979 HD11 HG21 ' A' ' 9' ' ' ILE . 0.6 OUTLIER -49.04 -49.48 41.06 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.916 179.919 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 111' ' ' VAL . . . . . 0.405 ' O ' HG23 ' B' ' 115' ' ' VAL . 65.6 t -55.78 -49.32 75.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.134 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 112' ' ' GLY . . . . . . . . . . . . . . . -65.09 -37.49 94.22 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.49 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 113' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -70.75 -36.93 73.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.841 0.353 . . . . 0.0 111.173 -179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 114' ' ' ALA . . . . . . . . . . . . . . . -63.96 -46.87 82.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.12 179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 115' ' ' VAL . . . . . 0.405 HG23 ' O ' ' B' ' 111' ' ' VAL . 84.6 t -62.63 -49.34 84.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.139 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 116' ' ' ILE . . . . . . . . . . . . . 27.6 mm -56.5 -42.81 76.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.36 -43.73 96.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 118' ' ' MET . . . . . . . . . . . . . 13.9 mmt -61.88 -36.56 81.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 119' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -64.7 -57.63 8.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.88 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 120' ' ' PHE . . . . . . . . . . . . . 14.1 m-85 -51.47 -38.77 55.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.889 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 121' ' ' TRP . . . . . . . . . . . . . 9.9 t-105 -60.29 -57.93 10.69 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.93 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 122' ' ' LEU . . . . . . . . . . . . . 3.5 mp -60.24 -44.51 95.16 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.902 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 123' ' ' LEU . . . . . 0.772 HD11 HD11 ' B' ' 127' ' ' ILE . 0.2 OUTLIER -56.49 -44.7 80.91 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.904 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 124' ' ' LEU . . . . . 0.489 ' CD1' HD21 ' A' ' 23' ' ' LEU . 4.8 tp -62.24 -38.59 89.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 125' ' ' VAL . . . . . . . . . . . . . 77.2 t -60.7 -48.51 88.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 126' ' ' ILE . . . . . . . . . . . . . 44.7 mt -59.65 -42.59 88.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.119 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 127' ' ' ILE . . . . . 0.772 HD11 HD11 ' B' ' 123' ' ' LEU . 93.9 mt -62.61 -45.43 98.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.122 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 128' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.37 -25.09 65.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.93 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 129' ' ' ARG . . . . . . . . . . . . . 93.0 mtt180 -71.53 -50.07 34.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 130' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.47 -33.44 75.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.153 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 131' ' ' VAL . . . . . 0.635 HG23 ' O ' ' B' ' 127' ' ' ILE . 86.1 t -69.95 -39.16 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 132' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -73.57 -26.59 60.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.91 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 133' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -68.82 -31.75 70.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 134' ' ' ALA . . . . . . . . . . . . . . . -72.9 -35.32 67.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.065 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 135' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -53.99 -33.39 56.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.911 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 136' ' ' GLY . . . . . . . . . . . . . . . -84.47 -58.18 2.21 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.461 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 137' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.465 -179.905 . . . . . . . . 0 0 . 1 stop_ save_