data_2lm8_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 2lm8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.748 0.308 . . . . 71.430000000000007 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.93 -179.64 3.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.868 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.08 127.91 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.81 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.37 177.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.140000000000001 111.134 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -156.17 168.77 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -74.91 110.18 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 65.409999999999997 110.886 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.48 -22.56 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 64.519999999999996 112.467 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.42 127.41 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 54.43 111.143 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.58 110.08 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -156.08 179.98 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 73.140000000000001 110.844 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.885 -179.887 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.779 0.323 . . . . 74.439999999999998 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.91 -179.64 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 75.450000000000003 110.952 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.140000000000001 110.88 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -54.99 128.06 31.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.894 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.96 140.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.340000000000003 111.176 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.71 157.68 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.911 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.83 110.45 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.510000000000005 110.867 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.98 -24.35 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 62.109999999999999 112.468 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -132.39 127.58 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 74.030000000000001 111.155 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.3 110.01 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 70.140000000000001 110.925 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -153.47 179.44 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 74.420000000000002 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.863 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.765 0.317 . . . . 75.200000000000003 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.47 -179.61 3.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.94 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.888 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.08 128.07 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 110.838 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.07 153.27 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 111.137 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.79 166.91 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.510000000000005 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -73.6 110.7 8.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.36 -23.1 2.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 73.099999999999994 112.525 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.26 127.42 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 74.319999999999993 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -77.2 110.14 11.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -156.36 179.83 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 75.400000000000006 110.849 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.903 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 pttm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.771 0.319 . . . . 73.310000000000002 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.87 -179.63 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.903 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.88 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -54.97 128.14 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 75.030000000000001 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.09 145.24 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 70.120000000000005 111.118 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -125.39 155.39 40.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -63.29 110.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 74.109999999999999 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.52 -21.21 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 64.439999999999998 112.519 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -134.65 127.34 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 74.200000000000003 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.23 110.21 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -157.29 179.97 8.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 72.299999999999997 110.842 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 110.899 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 72.439999999999998 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.68 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.897 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.869 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -55.1 127.73 30.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.040000000000006 110.88 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.58 173.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 111.148 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -151.94 159.89 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 74.150000000000006 110.944 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -66.62 110.25 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.129999999999995 110.849 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 -22.72 3.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 75.430000000000007 112.475 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.08 127.51 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 72.109999999999999 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -78.45 110.12 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -155.84 179.94 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 73.310000000000002 110.918 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.349999999999994 110.911 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.7 pttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.758 0.313 . . . . 74.510000000000005 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.26 -179.64 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 75.439999999999998 110.882 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 75.540000000000006 110.885 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -55.14 127.49 29.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 75.510000000000005 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.89 137.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 111.137 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -117.53 157.79 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.129999999999995 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.26 110.28 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 75.430000000000007 110.842 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.14 -21.96 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 53.210000000000001 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 tt -133.96 127.57 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 74.040000000000006 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -78.1 110.82 13.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 74.219999999999999 110.889 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -156.58 179.5 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.886 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.916 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.1 pttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 75.409999999999997 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.61 -179.61 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.911 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.049999999999997 110.863 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -55.0 126.66 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 74.439999999999998 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 m -67.7 141.89 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 71.400000000000006 111.12 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.31 158.76 26.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 70.450000000000003 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -69.65 110.41 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 73.400000000000006 110.857 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.78 -21.49 2.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 50.229999999999997 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 tp -135.11 127.8 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 75.299999999999997 111.102 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.99 110.72 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -155.65 177.55 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 73.25 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.400000000000006 110.839 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 70.239999999999995 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.45 -179.59 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 110.932 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 110.861 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -54.96 128.11 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.019999999999996 110.887 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -69.22 179.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 111.143 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -155.81 157.93 37.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.888 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.62 110.08 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 72.150000000000006 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.18 -24.56 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 72.010000000000005 112.498 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.54 127.18 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 73.140000000000001 111.113 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.7 110.05 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.97 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -156.58 -179.99 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.329999999999998 110.846 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 65.430000000000007 110.893 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 72.140000000000001 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.08 -179.65 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 75.329999999999998 110.891 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.473 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 75.349999999999994 110.868 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -55.0 127.52 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 65.030000000000001 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -68.54 146.5 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 65.340000000000003 111.11 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -127.68 157.61 39.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.140000000000001 110.895 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -69.55 113.17 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.420000000000002 110.889 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.4 -20.52 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.329999999999998 112.489 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.93 127.31 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 70.129999999999995 111.082 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.06 110.17 8.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 75.349999999999994 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -155.02 178.95 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.129999999999995 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 73.219999999999999 110.887 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 72.25 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.74 -179.65 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 74.5 110.89 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -55.07 127.99 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.01 163.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 111.139 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -141.26 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -77.54 110.12 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.41 -21.87 3.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 75.129999999999995 112.514 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.53 127.29 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.36 . . . . 75.209999999999994 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -77.4 110.17 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 75.140000000000001 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -156.14 179.85 8.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 74.040000000000006 110.827 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.420000000000002 110.896 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.767 0.317 . . . . 72.040000000000006 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -125.96 -179.55 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.219999999999999 110.898 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 63.299999999999997 110.892 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.05 127.63 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.340000000000003 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.21 179.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.409999999999997 111.137 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -160.06 164.79 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 65.150000000000006 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -73.69 111.16 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 74.530000000000001 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.69 -21.63 3.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 74.450000000000003 112.457 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.47 127.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 65.219999999999999 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.54 110.3 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.209999999999994 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -155.62 179.94 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.049999999999997 110.89 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 74.549999999999997 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 75.439999999999998 110.915 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -54.96 128.44 33.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 m -69.29 165.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 72.030000000000001 111.126 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -144.53 162.8 35.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -72.54 110.67 7.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.129999999999995 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.26 -21.01 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 64.040000000000006 112.519 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tp -136.42 127.18 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 74.349999999999994 111.134 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.84 109.95 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 74.340000000000003 110.963 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -154.23 178.22 10.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.319999999999993 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.841 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.31 . . . . 74.049999999999997 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.43 -179.65 3.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.943 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.099999999999994 110.918 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.43 126.94 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.863 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -66.21 136.65 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 111.109 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.75 154.09 29.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.943 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -64.43 110.06 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 74.239999999999995 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.9 -23.47 2.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 62.329999999999998 112.502 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tp -131.2 127.08 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 73.299999999999997 111.164 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.55 110.0 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -155.6 179.97 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.310000000000002 110.846 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.867 -179.883 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 74.319999999999993 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -119.83 -179.63 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.93 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.879 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -55.1 127.57 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 65.120000000000005 110.89 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -68.27 139.03 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.200000000000003 111.145 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.6 161.13 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.94 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -71.13 110.43 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 70.140000000000001 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.82 -23.07 2.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 45.130000000000003 112.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 tt -132.16 127.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.010000000000005 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -76.34 110.07 10.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 75.530000000000001 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -155.95 179.58 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.140000000000001 110.888 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.400000000000006 110.84 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 74.120000000000005 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.71 -179.62 3.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.140000000000001 110.929 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 72.430000000000007 110.889 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -54.98 127.04 27.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.140000000000001 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.07 178.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 111.105 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -157.56 164.88 36.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.958 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.19 110.35 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.319999999999993 110.835 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.5 -23.82 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.755 . . . . 62.43 112.495 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -133.94 127.78 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 74.140000000000001 111.127 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.92 110.29 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 75.420000000000002 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -155.9 179.84 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.450000000000003 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.540000000000006 110.876 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 75.140000000000001 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.17 -179.62 3.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 73.200000000000003 110.925 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.19 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 74.450000000000003 110.884 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -55.02 128.28 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.48 158.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 111.174 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.5 163.72 31.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.16 111.27 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 73.409999999999997 110.861 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -20.93 3.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 72.420000000000002 112.494 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -137.32 127.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 75.209999999999994 111.153 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -77.95 110.76 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.908 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -155.64 179.52 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 75.150000000000006 110.882 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 74.510000000000005 110.823 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.797 0.332 . . . . 74.329999999999998 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -118.27 -179.6 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 74.439999999999998 110.912 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 73.230000000000004 110.875 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -55.0 128.43 33.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 74.439999999999998 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.84 179.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 111.118 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -158.16 160.77 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 71.109999999999999 110.909 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -71.12 110.65 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 72.340000000000003 110.909 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.72 -25.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.718 . . . . 61.130000000000003 112.522 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -131.83 127.36 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 72.519999999999996 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -77.3 110.25 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.109999999999999 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -153.87 179.29 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 74.400000000000006 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 110.91 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.510000000000005 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.6 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 75.450000000000003 110.944 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.26 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 74.329999999999998 110.865 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.06 128.44 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.510000000000005 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.62 157.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -135.01 164.87 26.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -73.32 110.64 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 74.209999999999994 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -24.26 2.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 72.400000000000006 112.514 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.26 127.11 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 74.420000000000002 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.28 110.07 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 75.120000000000005 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -156.25 179.9 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 74.430000000000007 110.853 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 110.902 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.793 0.33 . . . . 73.120000000000005 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.41 -179.62 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.420000000000002 110.885 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.452 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -54.99 128.3 32.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.77 179.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.329999999999998 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -158.62 163.01 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 110.911 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.56 110.88 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.450000000000003 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.18 -21.24 3.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 60.020000000000003 112.51 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.29 127.34 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 74.129999999999995 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -78.25 110.28 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 72.450000000000003 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 -154.85 179.6 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.409999999999997 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.329999999999998 110.887 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 pttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.714 0.292 . . . . 74.310000000000002 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.74 -179.58 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.912 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 71.219999999999999 110.869 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -54.99 128.41 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.430000000000007 110.872 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.59 160.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 111.127 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -141.07 159.49 42.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 75.109999999999999 110.95 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -66.04 111.82 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 75.019999999999996 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.97 -21.75 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 53.399999999999999 112.489 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.07 127.36 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 74.219999999999999 111.177 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -77.62 110.02 12.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 72.340000000000003 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -156.07 -179.98 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 72.349999999999994 110.843 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.833 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.748 0.308 . . . . 71.430000000000007 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.93 -179.64 3.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 74.540000000000006 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.868 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.08 127.91 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.140000000000001 110.81 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.37 177.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.140000000000001 111.134 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -156.17 168.77 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -74.91 110.18 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 65.409999999999997 110.886 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.48 -22.56 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 64.519999999999996 112.467 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.42 127.41 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 54.43 111.143 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.58 110.08 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -156.08 179.98 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 73.140000000000001 110.844 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -134.94 122.83 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 110.885 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 74.329999999999998 110.923 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.779 0.323 . . . . 74.439999999999998 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.91 -179.64 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 75.450000000000003 110.952 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.140000000000001 110.88 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -54.99 128.06 31.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.894 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.96 140.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.340000000000003 111.176 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.71 157.68 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.120000000000005 110.911 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.83 110.45 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.510000000000005 110.867 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.98 -24.35 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 62.109999999999999 112.468 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -132.39 127.58 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 74.030000000000001 111.155 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.3 110.01 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 70.140000000000001 110.925 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -153.47 179.44 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 74.420000000000002 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -139.26 131.43 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.863 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 73.349999999999994 110.902 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.765 0.317 . . . . 75.200000000000003 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.47 -179.61 3.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 73.409999999999997 110.94 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.319999999999993 110.888 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.08 128.07 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 75.219999999999999 110.838 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.07 153.27 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 111.137 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.79 166.91 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.510000000000005 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -73.6 110.7 8.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 75.439999999999998 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.36 -23.1 2.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 73.099999999999994 112.525 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.26 127.42 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 74.319999999999993 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -77.2 110.14 11.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -156.36 179.83 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 75.400000000000006 110.849 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -134.78 126.03 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.140000000000001 110.903 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.409999999999997 110.897 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 pttm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.771 0.319 . . . . 73.310000000000002 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.87 -179.63 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.903 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 110.88 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -54.97 128.14 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 75.030000000000001 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.09 145.24 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 70.120000000000005 111.118 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -125.39 155.39 40.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -63.29 110.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 74.109999999999999 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.52 -21.21 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 64.439999999999998 112.519 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -134.65 127.34 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 74.200000000000003 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.23 110.21 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -157.29 179.97 8.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 72.299999999999997 110.842 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 -131.24 128.43 39.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.219999999999999 110.887 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 72.439999999999998 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.68 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.897 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 74.409999999999997 110.869 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -55.1 127.73 30.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 74.040000000000006 110.88 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -68.58 173.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 74.319999999999993 111.148 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -151.94 159.89 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 74.150000000000006 110.944 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -66.62 110.25 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 74.129999999999995 110.849 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 -22.72 3.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 75.430000000000007 112.475 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.08 127.51 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 72.109999999999999 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -78.45 110.12 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -155.84 179.94 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 73.310000000000002 110.918 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -133.23 127.7 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 74.349999999999994 110.911 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.150000000000006 110.866 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.7 pttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.758 0.313 . . . . 74.510000000000005 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.26 -179.64 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 75.439999999999998 110.882 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 75.540000000000006 110.885 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -55.14 127.49 29.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 75.510000000000005 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -67.89 137.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.129999999999995 111.137 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -117.53 157.79 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.129999999999995 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.26 110.28 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 75.430000000000007 110.842 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.14 -21.96 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 53.210000000000001 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 tt -133.96 127.57 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 74.040000000000006 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -78.1 110.82 13.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 74.219999999999999 110.889 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.1 mtt-85 -156.58 179.5 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.886 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -137.84 139.27 39.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.319999999999993 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.409999999999997 110.875 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.1 pttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 75.409999999999997 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.61 -179.61 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 75.120000000000005 110.911 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.049999999999997 110.863 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -55.0 126.66 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 74.439999999999998 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.4 m -67.7 141.89 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 71.400000000000006 111.12 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.31 158.76 26.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 70.450000000000003 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -69.65 110.41 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 73.400000000000006 110.857 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.78 -21.49 2.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 50.229999999999997 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 tp -135.11 127.8 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 75.299999999999997 111.102 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.99 110.72 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -155.65 177.55 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 73.25 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -135.85 137.55 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.400000000000006 110.839 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.129999999999995 110.872 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 70.239999999999995 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.45 -179.59 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.329999999999998 110.932 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.409999999999997 110.861 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -54.96 128.11 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.019999999999996 110.887 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -69.22 179.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 111.143 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -155.81 157.93 37.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 73.319999999999993 110.888 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.62 110.08 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 72.150000000000006 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.18 -24.56 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 72.010000000000005 112.498 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.54 127.18 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 73.140000000000001 111.113 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.7 110.05 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.540000000000006 110.97 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.6 mtt-85 -156.58 -179.99 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.329999999999998 110.846 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -131.85 134.83 46.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 65.430000000000007 110.893 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.310000000000002 110.874 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 72.140000000000001 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.08 -179.65 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 75.329999999999998 110.891 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 75.349999999999994 110.868 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -55.0 127.52 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 65.030000000000001 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.8 m -68.54 146.5 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 65.340000000000003 111.11 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -127.68 157.61 39.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 72.140000000000001 110.895 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -69.55 113.17 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.420000000000002 110.889 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.4 -20.52 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.329999999999998 112.489 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.93 127.31 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 70.129999999999995 111.082 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.06 110.17 8.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 75.349999999999994 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -155.02 178.95 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 74.129999999999995 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -140.54 132.91 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 73.219999999999999 110.887 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 71.129999999999995 110.867 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 72.25 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.74 -179.65 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 74.5 110.89 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -55.07 127.99 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.230000000000004 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.01 163.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 111.139 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -141.26 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.439999999999998 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -77.54 110.12 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.109999999999999 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.41 -21.87 3.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 75.129999999999995 112.514 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.53 127.29 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.36 . . . . 75.209999999999994 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -77.4 110.17 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 75.140000000000001 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 5.5 mtt-85 -156.14 179.85 8.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 74.040000000000006 110.827 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -135.17 128.32 31.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 75.420000000000002 110.896 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 65.230000000000004 110.827 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.767 0.317 . . . . 72.040000000000006 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -125.96 -179.55 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 73.219999999999999 110.898 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 63.299999999999997 110.892 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.05 127.63 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 75.340000000000003 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.21 179.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 74.409999999999997 111.137 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -160.06 164.79 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 65.150000000000006 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -73.69 111.16 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 74.530000000000001 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.69 -21.63 3.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 74.450000000000003 112.457 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.47 127.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 65.219999999999999 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.54 110.3 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.209999999999994 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -155.62 179.94 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.25 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -142.9 144.39 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.049999999999997 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 110.861 -179.884 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 74.549999999999997 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 75.439999999999998 110.915 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 73.239999999999995 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -54.96 128.44 33.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 m -69.29 165.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 72.030000000000001 111.126 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -144.53 162.8 35.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.450000000000003 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -72.54 110.67 7.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.129999999999995 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.26 -21.01 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 64.040000000000006 112.519 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tp -136.42 127.18 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 74.349999999999994 111.134 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.84 109.95 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 74.340000000000003 110.963 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -154.23 178.22 10.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.319999999999993 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -135.56 134.9 39.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.841 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 64.230000000000004 110.88 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.31 . . . . 74.049999999999997 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.43 -179.65 3.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 74.439999999999998 110.943 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 72.099999999999994 110.918 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.43 126.94 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.863 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -66.21 136.65 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 75.109999999999999 111.109 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.75 154.09 29.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.129999999999995 110.943 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -64.43 110.06 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 74.239999999999995 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.9 -23.47 2.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 62.329999999999998 112.502 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tp -131.2 127.08 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 73.299999999999997 111.164 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.55 110.0 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 74.439999999999998 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.4 mtt-85 -155.6 179.97 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.310000000000002 110.846 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -137.93 137.87 38.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.867 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 75.010000000000005 110.86 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 74.319999999999993 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -119.83 -179.63 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.93 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.239999999999995 110.879 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -55.1 127.57 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 65.120000000000005 110.89 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.5 m -68.27 139.03 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.200000000000003 111.145 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.6 161.13 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.019999999999996 110.94 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -71.13 110.43 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 70.140000000000001 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.82 -23.07 2.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 45.130000000000003 112.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 tt -132.16 127.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.010000000000005 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -76.34 110.07 10.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 75.530000000000001 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -155.95 179.58 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.140000000000001 110.888 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -137.94 137.93 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.400000000000006 110.84 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 74.120000000000005 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.71 -179.62 3.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.140000000000001 110.929 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 72.430000000000007 110.889 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -54.98 127.04 27.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.140000000000001 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -68.07 178.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.439999999999998 111.105 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -157.56 164.88 36.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.319999999999993 110.958 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.19 110.35 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.319999999999993 110.835 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.5 -23.82 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.755 . . . . 62.43 112.495 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -133.94 127.78 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 74.140000000000001 111.127 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.92 110.29 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 75.420000000000002 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -155.9 179.84 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.450000000000003 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -131.52 130.44 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.540000000000006 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.200000000000003 110.857 -179.878 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 75.140000000000001 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.17 -179.62 3.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 73.200000000000003 110.925 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.19 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 74.450000000000003 110.884 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -55.02 128.28 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.140000000000001 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.4 m -69.48 158.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.239999999999995 111.174 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.5 163.72 31.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.16 111.27 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 73.409999999999997 110.861 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -20.93 3.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 72.420000000000002 112.494 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -137.32 127.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 75.209999999999994 111.153 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -77.95 110.76 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.908 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.7 mtt-85 -155.64 179.52 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 75.150000000000006 110.882 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.22 140.39 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 74.510000000000005 110.823 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.230000000000004 110.842 -179.896 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.797 0.332 . . . . 74.329999999999998 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -118.27 -179.6 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 74.439999999999998 110.912 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 73.230000000000004 110.875 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -55.0 128.43 33.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 74.439999999999998 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.84 179.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 111.118 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -158.16 160.77 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 71.109999999999999 110.909 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -71.12 110.65 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 72.340000000000003 110.909 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.72 -25.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.718 . . . . 61.130000000000003 112.522 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -131.83 127.36 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 72.519999999999996 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -77.3 110.25 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 72.109999999999999 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -153.87 179.29 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 74.400000000000006 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -140.28 139.96 35.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.219999999999999 110.91 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 62.210000000000001 110.843 -179.873 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.510000000000005 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.6 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 75.450000000000003 110.944 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.26 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 74.329999999999998 110.865 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.06 128.44 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 73.510000000000005 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.1 m -68.62 157.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 111.136 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -135.01 164.87 26.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 71.239999999999995 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -73.32 110.64 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 74.209999999999994 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -24.26 2.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 72.400000000000006 112.514 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.26 127.11 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 74.420000000000002 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.28 110.07 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 75.120000000000005 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -156.25 179.9 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 74.430000000000007 110.853 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -135.91 126.97 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 110.867 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.793 0.33 . . . . 73.120000000000005 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.41 -179.62 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 73.420000000000002 110.885 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.452 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.239999999999995 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -54.99 128.3 32.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.77 179.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.329999999999998 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -158.62 163.01 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 110.911 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.56 110.88 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.450000000000003 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.18 -21.24 3.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 60.020000000000003 112.51 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.29 127.34 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 74.129999999999995 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -78.25 110.28 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 72.450000000000003 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 -154.85 179.6 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.409999999999997 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -131.06 130.43 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 71.329999999999998 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 74.140000000000001 110.859 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 pttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.714 0.292 . . . . 74.310000000000002 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.74 -179.58 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.530000000000001 110.912 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 71.219999999999999 110.869 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -54.99 128.41 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.430000000000007 110.872 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -69.59 160.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 74.239999999999995 111.127 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -141.07 159.49 42.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 75.109999999999999 110.95 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -66.04 111.82 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 75.019999999999996 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.97 -21.75 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 53.399999999999999 112.489 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.07 127.36 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 74.219999999999999 111.177 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -77.62 110.02 12.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 72.340000000000003 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -156.07 -179.98 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 72.349999999999994 110.843 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -134.76 123.66 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 74.310000000000002 110.833 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 75.150000000000006 110.89 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.748 0.308 . . . . 40.21 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.93 -179.64 3.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.868 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.08 127.91 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.81 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -68.37 177.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.134 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -156.17 168.77 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -74.91 110.18 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 52.42 110.886 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.48 -22.56 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 63.12 112.467 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.42 127.41 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 54.43 111.143 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.58 110.08 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -156.08 179.98 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 73.14 110.844 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.1 110.885 -179.887 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.779 0.323 . . . . 60.44 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.91 -179.64 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.952 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.88 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -54.99 128.06 31.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.894 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.96 140.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.176 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.71 157.68 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.911 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.83 110.45 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.867 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.98 -24.35 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 62.11 112.468 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -132.39 127.58 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 65.55 111.155 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.3 110.01 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.925 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -153.47 179.44 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 74.42 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.863 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.765 0.317 . . . . 72.52 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.47 -179.61 3.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 73.41 110.94 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 55.31 110.888 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.08 128.07 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.838 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 11' ' ' ARG . 19.4 m -69.07 153.27 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 75.13 111.137 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.79 166.91 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.51 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -73.6 110.7 8.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.36 -23.1 2.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 63.54 112.525 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.26 127.42 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 74.32 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -77.2 110.14 11.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' O ' HG11 ' A' ' 5' ' ' VAL . 8.9 mtt-85 -156.36 179.83 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 75.4 110.849 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.903 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 pttm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.771 0.319 . . . . 73.21 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.87 -179.63 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.903 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.88 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -54.97 128.14 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.45 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.09 145.24 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 63.33 111.118 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -125.39 155.39 40.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -63.29 110.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 72.51 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.52 -21.21 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 64.44 112.519 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -134.65 127.34 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 62.42 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.23 110.21 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 64.52 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' HG11 ' A' ' 5' ' ' VAL . 7.6 mtt-85 -157.29 179.97 8.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 51.22 110.842 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.899 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 54.21 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.68 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.897 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.52 110.869 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -55.1 127.73 30.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.88 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.434 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -68.58 173.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.53 111.148 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -151.94 159.89 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.944 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -66.62 110.25 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 71.03 110.849 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 -22.72 3.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 43.14 112.475 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.08 127.51 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 44.43 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -78.45 110.12 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -155.84 179.94 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 61.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.911 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.7 pttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.758 0.313 . . . . 74.51 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.26 -179.64 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 75.44 110.882 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.01 110.885 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -55.14 127.49 29.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 75.51 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.423 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.5 m -67.89 137.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -117.53 157.79 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.3 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.26 110.28 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.842 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.14 -21.96 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 53.21 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 tt -133.96 127.57 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 74.04 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -78.1 110.82 13.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 73.03 110.889 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' O ' HG11 ' A' ' 5' ' ' VAL . 8.1 mtt-85 -156.58 179.5 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.916 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.1 pttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 61.33 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.61 -179.61 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.911 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.863 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -55.0 126.66 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 74.44 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG12 ' HE1' ' A' ' 2' ' ' TRP . 21.4 m -67.7 141.89 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.12 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.31 158.76 26.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -69.65 110.41 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.857 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.78 -21.49 2.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 33.32 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 tp -135.11 127.8 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 62.41 111.102 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.99 110.72 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 71.43 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -155.65 177.55 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 73.25 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.839 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 70.24 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.45 -179.59 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.932 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.861 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -54.96 128.11 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.887 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.3 m -69.22 179.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.35 111.143 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -155.81 157.93 37.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.888 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.62 110.08 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 65.42 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.18 -24.56 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 53.24 112.498 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.54 127.18 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 64.52 111.113 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.7 110.05 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.97 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' O ' HG11 ' A' ' 5' ' ' VAL . 5.6 mtt-85 -156.58 -179.99 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.846 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 65.43 110.893 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 63.14 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.08 -179.65 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 75.33 110.891 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.473 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.868 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -55.0 127.52 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 65.03 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.8 m -68.54 146.5 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 45.44 111.11 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -127.68 157.61 39.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 63.04 110.895 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -69.55 113.17 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.889 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.4 -20.52 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.489 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.93 127.31 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 70.13 111.082 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.06 110.17 8.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -155.02 178.95 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 62.22 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 71.32 110.887 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 72.25 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.74 -179.65 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 65.12 110.89 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -55.07 127.99 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.441 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.01 163.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.33 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -141.26 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -77.54 110.12 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.41 -21.87 3.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 75.13 112.514 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.53 127.29 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.36 . . . . 70.44 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -77.4 110.17 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' HG11 ' A' ' 5' ' ' VAL . 5.5 mtt-85 -156.14 179.85 8.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 63.3 110.827 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 74.52 110.896 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.767 0.317 . . . . 63.31 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -125.96 -179.55 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 65.41 110.898 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 63.3 110.892 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.05 127.63 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -68.21 179.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 64.31 111.137 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -160.06 164.79 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 63.23 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -73.69 111.16 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 74.53 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.69 -21.63 3.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 74.45 112.457 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.47 127.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 62.31 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.54 110.3 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -155.62 179.94 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 52.21 110.89 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 74.55 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.12 110.915 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -54.96 128.44 33.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 52.4 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.427 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.1 m -69.29 165.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -144.53 162.8 35.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -72.54 110.67 7.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.26 -21.01 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 32.21 112.519 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tp -136.42 127.18 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 73.32 111.134 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.84 109.95 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.963 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -154.23 178.22 10.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.841 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.31 . . . . 63.42 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.43 -179.65 3.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 65.42 110.943 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.918 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.43 126.94 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.863 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 11' ' ' ARG . 19.5 m -66.21 136.65 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 65.13 111.109 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.75 154.09 29.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -64.43 110.06 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.12 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.9 -23.47 2.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 62.33 112.502 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tp -131.2 127.08 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 73.3 111.164 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.55 110.0 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 70.02 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' O ' HG11 ' A' ' 5' ' ' VAL . 6.4 mtt-85 -155.6 179.97 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.846 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.867 -179.883 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 72.13 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -119.83 -179.63 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.93 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.879 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -55.1 127.57 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 65.12 110.89 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.428 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.5 m -68.27 139.03 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.145 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.6 161.13 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.94 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -71.13 110.43 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 64.24 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.82 -23.07 2.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 43.21 112.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 tt -132.16 127.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.01 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -76.34 110.07 10.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 75.53 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -155.95 179.58 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.888 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.84 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.71 -179.62 3.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.14 110.929 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 61.55 110.889 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -54.98 127.04 27.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.442 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -68.07 178.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.105 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -157.56 164.88 36.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.958 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.19 110.35 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.835 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.5 -23.82 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.755 . . . . 31.52 112.495 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -133.94 127.78 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 74.14 111.127 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.92 110.29 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 73.54 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -155.9 179.84 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.876 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 45.34 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.17 -179.62 3.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 60.23 110.925 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.19 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 72.4 110.884 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -55.02 128.28 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -69.48 158.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.174 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.5 163.72 31.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.16 111.27 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 73.41 110.861 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -20.93 3.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 61.14 112.494 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -137.32 127.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 75.21 111.153 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -77.95 110.76 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.908 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' O ' HG11 ' A' ' 5' ' ' VAL . 6.7 mtt-85 -155.64 179.52 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 65.42 110.882 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 73.25 110.823 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.797 0.332 . . . . 74.24 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -118.27 -179.6 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.912 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 73.23 110.875 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -55.0 128.43 33.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.84 179.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.2 111.118 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -158.16 160.77 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 64.33 110.909 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -71.12 110.65 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 72.34 110.909 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.72 -25.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.718 . . . . 53.11 112.522 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -131.83 127.36 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 62.41 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -77.3 110.25 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 61.04 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -153.87 179.29 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 74.4 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.91 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.51 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.6 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.944 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.26 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.865 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.06 128.44 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.1 m -68.62 157.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.12 111.136 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -135.01 164.87 26.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -73.32 110.64 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 74.21 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -24.26 2.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 72.4 112.514 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.26 127.11 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 74.35 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.28 110.07 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -156.25 179.9 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 72.22 110.853 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.902 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.793 0.33 . . . . 72.33 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.41 -179.62 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.12 110.885 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.452 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -54.99 128.3 32.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.77 179.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.33 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -158.62 163.01 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.911 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.56 110.88 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.18 -21.24 3.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 31.41 112.51 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.29 127.34 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 71.44 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -78.25 110.28 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 -154.85 179.6 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 62.11 110.887 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 pttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.714 0.292 . . . . 72.3 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.74 -179.58 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.912 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.869 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -54.99 128.41 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.872 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' VAL . . . . . 0.441 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.59 160.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 53.34 111.127 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -141.07 159.49 42.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.95 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -66.04 111.82 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.97 -21.75 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 53.4 112.489 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.07 127.36 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 74.22 111.177 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -77.62 110.02 12.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 71.32 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -156.07 -179.98 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 70.43 110.843 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.833 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.748 0.308 . . . . 40.21 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.93 -179.64 3.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.868 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.08 127.91 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.81 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -68.37 177.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.134 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -156.17 168.77 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -74.91 110.18 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 52.42 110.886 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.48 -22.56 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 63.12 112.467 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.42 127.41 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 54.43 111.143 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.58 110.08 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -156.08 179.98 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 73.14 110.844 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -134.94 122.83 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.1 110.885 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.923 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.779 0.323 . . . . 60.44 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.91 -179.64 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.952 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.88 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -54.99 128.06 31.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.894 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.96 140.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.176 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.71 157.68 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.911 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.83 110.45 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.867 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.98 -24.35 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 62.11 112.468 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -132.39 127.58 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 65.55 111.155 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.3 110.01 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.925 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -153.47 179.44 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 74.42 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -139.26 131.43 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.863 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 71.32 110.902 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.765 0.317 . . . . 72.52 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.47 -179.61 3.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 73.41 110.94 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 55.31 110.888 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.08 128.07 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.838 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 11' ' ' ARG . 19.4 m -69.07 153.27 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 75.13 111.137 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.79 166.91 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.51 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -73.6 110.7 8.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.36 -23.1 2.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 63.54 112.525 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.26 127.42 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 74.32 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -77.2 110.14 11.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' O ' HG11 ' A' ' 5' ' ' VAL . 8.9 mtt-85 -156.36 179.83 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 75.4 110.849 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -134.78 126.03 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.903 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.897 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 pttm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.771 0.319 . . . . 73.21 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.87 -179.63 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.903 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.88 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -54.97 128.14 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.45 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.09 145.24 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 63.33 111.118 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -125.39 155.39 40.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -63.29 110.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 72.51 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.52 -21.21 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 64.44 112.519 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -134.65 127.34 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 62.42 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.23 110.21 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 64.52 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' HG11 ' A' ' 5' ' ' VAL . 7.6 mtt-85 -157.29 179.97 8.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 51.22 110.842 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 -131.24 128.43 39.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.887 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 54.21 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.68 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.897 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.52 110.869 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -55.1 127.73 30.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.88 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.434 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -68.58 173.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.53 111.148 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -151.94 159.89 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.944 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -66.62 110.25 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 71.03 110.849 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 -22.72 3.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 43.14 112.475 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.08 127.51 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 44.43 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -78.45 110.12 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -155.84 179.94 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 61.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -133.23 127.7 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.911 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.15 110.866 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.7 pttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.758 0.313 . . . . 74.51 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.26 -179.64 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 75.44 110.882 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.01 110.885 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -55.14 127.49 29.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 75.51 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.423 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.5 m -67.89 137.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -117.53 157.79 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.3 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.26 110.28 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.842 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.14 -21.96 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 53.21 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 tt -133.96 127.57 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 74.04 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -78.1 110.82 13.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 73.03 110.889 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' O ' HG11 ' A' ' 5' ' ' VAL . 8.1 mtt-85 -156.58 179.5 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -137.84 139.27 39.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.875 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.1 pttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 61.33 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.61 -179.61 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.911 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.863 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -55.0 126.66 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 74.44 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG12 ' HE1' ' A' ' 2' ' ' TRP . 21.4 m -67.7 141.89 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.12 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.31 158.76 26.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -69.65 110.41 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.857 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.78 -21.49 2.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 33.32 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 tp -135.11 127.8 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 62.41 111.102 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.99 110.72 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 71.43 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -155.65 177.55 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 73.25 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -135.85 137.55 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.839 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.872 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 70.24 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.45 -179.59 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.932 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.861 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -54.96 128.11 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.887 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.3 m -69.22 179.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.35 111.143 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -155.81 157.93 37.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.888 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.62 110.08 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 65.42 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.18 -24.56 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 53.24 112.498 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.54 127.18 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 64.52 111.113 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.7 110.05 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.97 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' O ' HG11 ' A' ' 5' ' ' VAL . 5.6 mtt-85 -156.58 -179.99 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.846 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -131.85 134.83 46.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 65.43 110.893 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.874 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 63.14 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.08 -179.65 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 75.33 110.891 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.868 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -55.0 127.52 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 65.03 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.8 m -68.54 146.5 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 45.44 111.11 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -127.68 157.61 39.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 63.04 110.895 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -69.55 113.17 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.889 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.4 -20.52 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.489 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.93 127.31 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 70.13 111.082 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.06 110.17 8.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -155.02 178.95 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 62.22 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -140.54 132.91 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 71.32 110.887 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 71.13 110.867 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 72.25 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.74 -179.65 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 65.12 110.89 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -55.07 127.99 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.441 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.01 163.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.33 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -141.26 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -77.54 110.12 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.41 -21.87 3.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 75.13 112.514 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.53 127.29 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.36 . . . . 70.44 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -77.4 110.17 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' HG11 ' A' ' 5' ' ' VAL . 5.5 mtt-85 -156.14 179.85 8.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 63.3 110.827 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -135.17 128.32 31.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 74.52 110.896 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 64.4 110.827 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.767 0.317 . . . . 63.31 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -125.96 -179.55 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 65.41 110.898 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 63.3 110.892 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.05 127.63 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -68.21 179.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 64.31 111.137 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -160.06 164.79 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 63.23 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -73.69 111.16 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 74.53 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.69 -21.63 3.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 74.45 112.457 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.47 127.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 62.31 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.54 110.3 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -155.62 179.94 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -142.9 144.39 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 52.21 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.861 -179.884 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 74.55 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.12 110.915 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -54.96 128.44 33.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 52.4 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.427 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.1 m -69.29 165.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -144.53 162.8 35.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -72.54 110.67 7.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.26 -21.01 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 32.21 112.519 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tp -136.42 127.18 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 73.32 111.134 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.84 109.95 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.963 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -154.23 178.22 10.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -135.56 134.9 39.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.841 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 64.23 110.88 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.31 . . . . 63.42 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.43 -179.65 3.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 65.42 110.943 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.918 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.43 126.94 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.863 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 11' ' ' ARG . 19.5 m -66.21 136.65 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 65.13 111.109 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.75 154.09 29.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -64.43 110.06 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.12 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.9 -23.47 2.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 62.33 112.502 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tp -131.2 127.08 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 73.3 111.164 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.55 110.0 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 70.02 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' O ' HG11 ' A' ' 5' ' ' VAL . 6.4 mtt-85 -155.6 179.97 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.846 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -137.93 137.87 38.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.867 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.86 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 72.13 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -119.83 -179.63 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.93 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.879 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -55.1 127.57 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 65.12 110.89 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.5 m -68.27 139.03 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.145 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.6 161.13 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.94 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -71.13 110.43 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 64.24 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.82 -23.07 2.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 43.21 112.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 tt -132.16 127.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.01 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -76.34 110.07 10.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 75.53 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -155.95 179.58 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.888 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -137.94 137.93 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.84 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.71 -179.62 3.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.14 110.929 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 61.55 110.889 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -54.98 127.04 27.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.442 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -68.07 178.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.105 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -157.56 164.88 36.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.958 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.19 110.35 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.835 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.5 -23.82 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.755 . . . . 31.52 112.495 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -133.94 127.78 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 74.14 111.127 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.92 110.29 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 73.54 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -155.9 179.84 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -131.52 130.44 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.2 110.857 -179.878 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 45.34 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.17 -179.62 3.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 60.23 110.925 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.19 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 72.4 110.884 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -55.02 128.28 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -69.48 158.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.174 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.5 163.72 31.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.16 111.27 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 73.41 110.861 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -20.93 3.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 61.14 112.494 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -137.32 127.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 75.21 111.153 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -77.95 110.76 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.908 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' O ' HG11 ' A' ' 5' ' ' VAL . 6.7 mtt-85 -155.64 179.52 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 65.42 110.882 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.22 140.39 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 73.25 110.823 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.842 -179.896 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.797 0.332 . . . . 74.24 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -118.27 -179.6 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.912 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 73.23 110.875 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -55.0 128.43 33.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.84 179.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.2 111.118 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -158.16 160.77 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 64.33 110.909 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -71.12 110.65 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 72.34 110.909 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.72 -25.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.718 . . . . 53.11 112.522 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -131.83 127.36 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 62.41 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -77.3 110.25 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 61.04 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -153.87 179.29 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 74.4 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -140.28 139.96 35.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.91 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 62.21 110.843 -179.873 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.51 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.6 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.944 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.26 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.865 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.06 128.44 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.1 m -68.62 157.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.12 111.136 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -135.01 164.87 26.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -73.32 110.64 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 74.21 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -24.26 2.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 72.4 112.514 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.26 127.11 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 74.35 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.28 110.07 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -156.25 179.9 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 72.22 110.853 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -135.91 126.97 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.867 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.793 0.33 . . . . 72.33 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.41 -179.62 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.12 110.885 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.452 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -54.99 128.3 32.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.77 179.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.33 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -158.62 163.01 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.911 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.56 110.88 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.18 -21.24 3.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 31.41 112.51 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.29 127.34 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 71.44 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -78.25 110.28 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 -154.85 179.6 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -131.06 130.43 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 62.11 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 60.21 110.859 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 pttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.714 0.292 . . . . 72.3 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.74 -179.58 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.912 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.869 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -54.99 128.41 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.872 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . 0.441 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.59 160.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 53.34 111.127 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -141.07 159.49 42.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.95 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -66.04 111.82 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.97 -21.75 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 53.4 112.489 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.07 127.36 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 74.22 111.177 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -77.62 110.02 12.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 71.32 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -156.07 -179.98 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 70.43 110.843 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -134.76 123.66 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.833 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.89 -179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.748 0.308 . . . . 40.21 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.93 -179.64 3.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.868 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.08 127.91 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.81 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -68.37 177.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.134 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -156.17 168.77 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -74.91 110.18 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 52.42 110.886 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.48 -22.56 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 63.12 112.467 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.42 127.41 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 54.43 111.143 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.58 110.08 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -156.08 179.98 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 73.14 110.844 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.1 110.885 -179.887 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.779 0.323 . . . . 60.44 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.91 -179.64 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.952 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.88 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -54.99 128.06 31.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.894 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.96 140.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.176 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.71 157.68 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.911 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.83 110.45 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.867 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.98 -24.35 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 62.11 112.468 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -132.39 127.58 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 65.55 111.155 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.3 110.01 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.925 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -153.47 179.44 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 74.42 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.863 -179.865 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.765 0.317 . . . . 72.52 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.47 -179.61 3.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 73.41 110.94 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 55.31 110.888 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.08 128.07 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.838 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 11' ' ' ARG . 19.4 m -69.07 153.27 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 75.13 111.137 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.79 166.91 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.51 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -73.6 110.7 8.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.36 -23.1 2.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 63.54 112.525 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.26 127.42 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 74.32 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -77.2 110.14 11.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.438 ' O ' HG11 ' A' ' 5' ' ' VAL . 8.9 mtt-85 -156.36 179.83 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 75.4 110.849 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.903 -179.954 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 pttm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.771 0.319 . . . . 73.21 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.87 -179.63 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.903 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.88 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -54.97 128.14 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.45 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.09 145.24 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 63.33 111.118 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -125.39 155.39 40.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -63.29 110.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 72.51 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.52 -21.21 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 64.44 112.519 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -134.65 127.34 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 62.42 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.23 110.21 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 64.52 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' HG11 ' A' ' 5' ' ' VAL . 7.6 mtt-85 -157.29 179.97 8.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 51.22 110.842 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 . . . . . 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.899 -179.944 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 54.21 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.68 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.897 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.52 110.869 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -55.1 127.73 30.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.88 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.434 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -68.58 173.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.53 111.148 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -151.94 159.89 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.944 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -66.62 110.25 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 71.03 110.849 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 -22.72 3.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 43.14 112.475 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.08 127.51 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 44.43 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -78.45 110.12 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -155.84 179.94 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 61.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.911 -179.956 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.7 pttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.758 0.313 . . . . 74.51 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.26 -179.64 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 75.44 110.882 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.01 110.885 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -55.14 127.49 29.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 75.51 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.423 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.5 m -67.89 137.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -117.53 157.79 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.3 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.26 110.28 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.842 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.14 -21.96 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 53.21 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 tt -133.96 127.57 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 74.04 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -78.1 110.82 13.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 73.03 110.889 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.412 ' O ' HG11 ' A' ' 5' ' ' VAL . 8.1 mtt-85 -156.58 179.5 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.916 -179.916 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.1 pttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 61.33 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.61 -179.61 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.911 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.863 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -55.0 126.66 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 74.44 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG12 ' HE1' ' A' ' 2' ' ' TRP . 21.4 m -67.7 141.89 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.12 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.31 158.76 26.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -69.65 110.41 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.857 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.78 -21.49 2.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 33.32 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 tp -135.11 127.8 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 62.41 111.102 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.99 110.72 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 71.43 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -155.65 177.55 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 73.25 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.839 -179.905 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 70.24 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.45 -179.59 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.932 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.861 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -54.96 128.11 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.887 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.44 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.3 m -69.22 179.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.35 111.143 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -155.81 157.93 37.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.888 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.62 110.08 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 65.42 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.18 -24.56 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 53.24 112.498 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.54 127.18 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 64.52 111.113 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.7 110.05 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.97 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.401 ' O ' HG11 ' A' ' 5' ' ' VAL . 5.6 mtt-85 -156.58 -179.99 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.846 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 65.43 110.893 -179.938 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 63.14 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.08 -179.65 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 75.33 110.891 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.473 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.868 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -55.0 127.52 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 65.03 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.8 m -68.54 146.5 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 45.44 111.11 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -127.68 157.61 39.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 63.04 110.895 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -69.55 113.17 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.889 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.4 -20.52 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.489 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.93 127.31 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 70.13 111.082 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.06 110.17 8.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -155.02 178.95 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 62.22 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 71.32 110.887 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 72.25 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.74 -179.65 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 65.12 110.89 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -55.07 127.99 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.441 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.01 163.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.33 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -141.26 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -77.54 110.12 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.41 -21.87 3.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 75.13 112.514 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.53 127.29 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.36 . . . . 70.44 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -77.4 110.17 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' HG11 ' A' ' 5' ' ' VAL . 5.5 mtt-85 -156.14 179.85 8.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 63.3 110.827 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 74.52 110.896 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.767 0.317 . . . . 63.31 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -125.96 -179.55 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 65.41 110.898 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 63.3 110.892 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.05 127.63 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -68.21 179.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 64.31 111.137 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -160.06 164.79 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 63.23 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -73.69 111.16 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 74.53 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.69 -21.63 3.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 74.45 112.457 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.47 127.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 62.31 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.54 110.3 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -155.62 179.94 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 52.21 110.89 -179.934 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 74.55 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.12 110.915 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -54.96 128.44 33.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 52.4 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.427 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.1 m -69.29 165.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -144.53 162.8 35.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -72.54 110.67 7.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.26 -21.01 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 32.21 112.519 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tp -136.42 127.18 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 73.32 111.134 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.84 109.95 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.963 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -154.23 178.22 10.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.841 -179.872 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.31 . . . . 63.42 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.43 -179.65 3.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 65.42 110.943 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.918 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.43 126.94 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.863 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 11' ' ' ARG . 19.5 m -66.21 136.65 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 65.13 111.109 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.75 154.09 29.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -64.43 110.06 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.12 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.9 -23.47 2.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 62.33 112.502 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tp -131.2 127.08 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 73.3 111.164 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.55 110.0 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 70.02 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.41 ' O ' HG11 ' A' ' 5' ' ' VAL . 6.4 mtt-85 -155.6 179.97 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.846 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.867 -179.883 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 72.13 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -119.83 -179.63 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.93 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.879 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -55.1 127.57 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 65.12 110.89 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.428 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.5 m -68.27 139.03 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.145 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.6 161.13 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.94 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -71.13 110.43 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 64.24 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.82 -23.07 2.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 43.21 112.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 tt -132.16 127.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.01 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -76.34 110.07 10.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 75.53 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -155.95 179.58 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.888 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.84 -179.932 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.71 -179.62 3.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.14 110.929 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 61.55 110.889 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -54.98 127.04 27.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.442 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -68.07 178.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.105 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -157.56 164.88 36.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.958 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.19 110.35 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.835 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.5 -23.82 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.755 . . . . 31.52 112.495 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -133.94 127.78 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 74.14 111.127 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.92 110.29 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 73.54 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -155.9 179.84 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.876 -179.918 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 45.34 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.17 -179.62 3.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 60.23 110.925 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.19 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 72.4 110.884 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -55.02 128.28 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.447 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -69.48 158.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.174 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.5 163.72 31.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.16 111.27 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 73.41 110.861 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -20.93 3.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 61.14 112.494 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -137.32 127.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 75.21 111.153 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -77.95 110.76 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.908 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . 0.415 ' O ' HG11 ' A' ' 5' ' ' VAL . 6.7 mtt-85 -155.64 179.52 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 65.42 110.882 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 73.25 110.823 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.797 0.332 . . . . 74.24 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -118.27 -179.6 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.912 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 73.23 110.875 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -55.0 128.43 33.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.84 179.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.2 111.118 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -158.16 160.77 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 64.33 110.909 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -71.12 110.65 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 72.34 110.909 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.72 -25.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.718 . . . . 53.11 112.522 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -131.83 127.36 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 62.41 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -77.3 110.25 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 61.04 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -153.87 179.29 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 74.4 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.91 -179.925 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.51 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.6 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.944 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.26 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.865 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.06 128.44 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.402 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.1 m -68.62 157.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.12 111.136 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -135.01 164.87 26.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -73.32 110.64 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 74.21 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -24.26 2.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 72.4 112.514 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.26 127.11 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 74.35 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.28 110.07 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -156.25 179.9 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 72.22 110.853 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.902 -179.959 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.793 0.33 . . . . 72.33 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.41 -179.62 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.12 110.885 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.452 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -54.99 128.3 32.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.77 179.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.33 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -158.62 163.01 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.911 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.56 110.88 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.18 -21.24 3.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 31.41 112.51 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.29 127.34 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 71.44 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -78.25 110.28 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 -154.85 179.6 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 62.11 110.887 -179.924 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 pttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.714 0.292 . . . . 72.3 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.74 -179.58 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.912 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.869 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -54.99 128.41 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.872 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' VAL . . . . . 0.441 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.59 160.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 53.34 111.127 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -141.07 159.49 42.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.95 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -66.04 111.82 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.97 -21.75 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 53.4 112.489 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.07 127.36 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 74.22 111.177 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -77.62 110.02 12.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 71.32 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -156.07 -179.98 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 70.43 110.843 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.833 -179.929 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.748 0.308 . . . . 40.21 110.916 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.93 -179.64 3.68 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.199 -0.455 . . . . 71.33 110.891 179.967 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 74.44 110.868 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -55.08 127.91 31.25 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.161 -0.472 . . . . 74.14 110.81 -179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.416 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -68.37 177.21 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.175 -0.466 . . . . 73.14 111.134 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -156.17 168.77 26.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 75.41 110.895 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 43.2 mmm-85 -74.91 110.18 8.99 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.126 -0.488 . . . . 52.42 110.886 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.48 -22.56 3.02 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.707 -0.759 . . . . 63.12 112.467 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.42 127.41 50.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.831 0.348 . . . . 54.43 111.143 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -78.58 110.08 13.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.44 110.912 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.6 mtt-85 -156.08 179.98 8.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.1 -0.5 . . . . 73.14 110.844 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.3 tpt180 -134.94 122.83 22.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 74.1 110.885 -179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.0 ptt180 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 73.15 110.923 -179.914 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.457 -0.088 0 CA-C-O 120.779 0.323 . . . . 60.44 110.924 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.91 -179.64 4.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.204 -0.453 . . . . 75.45 110.952 179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 72.31 110.88 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 55.9 mtt85 -54.99 128.06 31.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 74.34 110.894 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.2 m -66.96 140.53 19.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 72.34 111.176 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 12.0 t80 -119.71 157.68 28.04 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.206 -0.452 . . . . 75.12 110.911 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.5 mpt_? -69.83 110.45 4.97 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.489 . . . . 73.51 110.867 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.98 -24.35 2.71 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.724 -0.75 . . . . 62.11 112.468 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -132.39 127.58 57.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 120.859 0.361 . . . . 65.55 111.155 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 30.9 m-85 -75.3 110.01 9.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 70.14 110.925 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.0 mtt-85 -153.47 179.44 8.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.09 -0.504 . . . . 74.42 110.912 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 32.3 ttt85 -139.26 131.43 28.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 63.44 110.863 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 59.5 mtt180 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.233 -0.439 . . . . 71.32 110.902 -179.935 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.765 0.317 . . . . 72.52 110.89 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.47 -179.61 3.71 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.18 -0.463 . . . . 73.41 110.94 179.927 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 55.31 110.888 -179.973 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 11.1 ttp180 -55.08 128.07 32.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 73.11 110.838 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.438 HG11 ' O ' ' A' ' 11' ' ' ARG . 19.4 m -69.07 153.27 8.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 75.13 111.137 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -132.79 166.91 21.16 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 70.51 110.91 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -73.6 110.7 8.09 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.128 -0.487 . . . . 71.13 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.36 -23.1 2.86 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.748 -0.739 . . . . 63.54 112.525 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.26 127.42 50.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 74.32 111.161 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 95.2 m-85 -77.2 110.14 11.65 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.197 -0.456 . . . . 73.32 110.919 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.438 ' O ' HG11 ' A' ' 5' ' ' VAL . 8.9 mtt-85 -156.36 179.83 8.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.1 -0.5 . . . . 75.4 110.849 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 21.1 tpp180 -134.78 126.03 28.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 74.14 110.903 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.8 ptt85 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 74.41 110.897 -179.915 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 15.2 pttm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.771 0.319 . . . . 73.21 110.866 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.459 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.87 -179.63 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 72.41 110.903 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.459 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.88 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 15.5 ptt85 -54.97 128.14 32.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.135 -0.484 . . . . 74.45 110.897 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.09 145.24 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 63.33 111.118 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.3 t80 -125.39 155.39 40.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 71.01 110.926 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -63.29 110.55 1.93 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.09 -0.504 . . . . 72.51 110.857 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.52 -21.21 3.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.777 -0.725 . . . . 64.44 112.519 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.3 tt -134.65 127.34 49.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.84 0.352 . . . . 62.42 111.109 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -78.23 110.21 13.02 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.176 -0.466 . . . . 64.52 110.921 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.426 ' O ' HG11 ' A' ' 5' ' ' VAL . 7.6 mtt-85 -157.29 179.97 8.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 51.22 110.842 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 20.1 ttm-85 -131.24 128.43 39.88 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.48 . . . . 74.11 110.899 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 74.22 110.887 -179.913 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 72.4 mttt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.768 0.318 . . . . 54.21 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.68 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 72.35 110.897 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.3 -179.67 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 65.52 110.869 -179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 64.2 mtm-85 -55.1 127.73 30.48 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 73.01 110.88 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.434 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -68.58 173.65 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.143 -0.48 . . . . 71.53 111.148 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 m-85 -151.94 159.89 43.66 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.458 . . . . 73.14 110.944 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.4 mpt_? -66.62 110.25 3.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.163 -0.471 . . . . 71.03 110.849 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.19 -22.72 3.06 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.708 -0.758 . . . . 43.14 112.475 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -134.08 127.51 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.838 0.351 . . . . 44.43 111.152 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -78.45 110.12 13.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.11 110.937 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 8.0 mtt-85 -155.84 179.94 8.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 61.0 110.918 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 52.1 ttp180 -133.23 127.7 34.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 73.4 110.911 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.7 ptt-85 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 71.15 110.866 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 43.7 pttt . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.758 0.313 . . . . 74.51 110.935 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.466 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.26 -179.64 3.69 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.264 -0.425 . . . . 75.44 110.882 179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.466 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 73.01 110.885 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.8 ptt-85 -55.14 127.49 29.39 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.142 -0.481 . . . . 75.51 110.879 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.423 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.5 m -67.89 137.84 23.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 73.13 111.137 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 16.1 t80 -117.53 157.79 25.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 65.3 110.906 -179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.7 mpt_? -67.26 110.28 3.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.134 -0.484 . . . . 74.54 110.842 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.14 -21.96 2.94 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.752 -0.737 . . . . 53.21 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 tt -133.96 127.57 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.795 0.331 . . . . 74.04 111.142 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 55.3 m-85 -78.1 110.82 13.4 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 73.03 110.889 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.412 ' O ' HG11 ' A' ' 5' ' ' VAL . 8.1 mtt-85 -156.58 179.5 9.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 74.42 110.886 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.9 tpp180 -137.84 139.27 39.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 72.32 110.916 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.7 mtp180 . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.41 110.875 -179.906 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 49.1 pttt . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.784 0.326 . . . . 61.33 110.883 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.472 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.61 -179.61 3.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 75.12 110.911 179.923 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.472 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.73 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 72.02 110.863 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 66.9 mtt180 -55.0 126.66 25.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.087 -0.506 . . . . 74.44 110.903 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG12 ' HE1' ' A' ' 2' ' ' TRP . 21.4 m -67.7 141.89 17.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 71.4 111.12 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 13.8 m-85 -120.31 158.76 26.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.158 -0.474 . . . . 70.45 110.933 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 35.5 mmt-85 -69.65 110.41 4.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.154 -0.475 . . . . 72.11 110.857 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 139.78 -21.49 2.86 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.741 . . . . 33.32 112.483 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.3 tp -135.11 127.8 48.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.894 0.378 . . . . 62.41 111.102 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 77.4 m-85 -75.99 110.72 10.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.136 -0.484 . . . . 71.43 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.7 mtt-85 -155.65 177.55 11.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 73.25 110.84 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 6.3 tpt180 -135.85 137.55 41.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 73.3 110.839 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 72.13 110.872 -179.909 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 6.3 pttm . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.837 0.351 . . . . 70.24 110.86 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.45 -179.59 3.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 72.33 110.932 179.907 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 72.41 110.861 -179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 3.5 ptp180 -54.96 128.11 31.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.475 . . . . 75.02 110.887 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.44 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.3 m -69.22 179.04 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.215 -0.448 . . . . 63.35 111.143 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -155.81 157.93 37.26 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.153 -0.476 . . . . 73.32 110.888 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -65.62 110.08 2.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.093 -0.503 . . . . 65.42 110.922 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.18 -24.56 2.95 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.745 -0.74 . . . . 53.24 112.498 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.54 127.18 59.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 64.52 111.113 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -77.7 110.05 12.21 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 74.54 110.97 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.401 ' O ' HG11 ' A' ' 5' ' ' VAL . 5.6 mtt-85 -156.58 -179.99 8.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 71.33 110.846 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 1.9 tmm_? -131.85 134.83 46.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 65.43 110.893 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.1 ptt180 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.31 110.874 -179.897 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 27.2 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.73 0.3 . . . . 63.14 110.956 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.473 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -122.08 -179.65 4.23 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.265 -0.425 . . . . 75.33 110.891 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.473 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 74.44 110.868 -179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 14.7 ttp85 -55.0 127.52 29.35 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.103 -0.499 . . . . 65.03 110.887 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.435 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.8 m -68.54 146.5 12.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 45.44 111.11 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 6.4 t80 -127.68 157.61 39.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.155 -0.475 . . . . 63.04 110.895 -179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -69.55 113.17 6.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.49 . . . . 74.23 110.889 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.4 -20.52 3.33 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.714 -0.755 . . . . 73.33 112.489 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.93 127.31 39.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.871 0.367 . . . . 70.13 111.082 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 11.3 m-85 -74.06 110.17 8.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.479 . . . . 75.35 110.892 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.2 mtt-85 -155.02 178.95 9.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 62.22 110.887 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 58.5 ttt180 -140.54 132.91 28.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.24 -0.437 . . . . 71.32 110.887 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 64.4 mtm180 . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 71.13 110.867 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 33.1 mmtm . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.772 0.32 . . . . 72.25 110.882 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.74 -179.65 3.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.893 179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.23 -179.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 65.12 110.89 -179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 10.4 ptt180 -55.07 127.99 31.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 73.23 110.906 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.441 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.01 163.2 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.186 -0.461 . . . . 72.33 111.139 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 4.9 t80 -141.26 170.78 15.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 73.44 110.934 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 33.3 mmt180 -77.54 110.12 12.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 70.32 110.87 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.41 -21.87 3.07 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.775 -0.726 . . . . 75.13 112.514 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -134.53 127.29 49.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.855 0.36 . . . . 70.44 111.115 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 39.2 m-85 -77.4 110.17 11.93 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.123 -0.49 . . . . 72.54 110.934 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.423 ' O ' HG11 ' A' ' 5' ' ' VAL . 5.5 mtt-85 -156.14 179.85 8.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.488 . . . . 63.3 110.827 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 7.6 ttt85 -135.17 128.32 31.83 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 74.52 110.896 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.9 ptt180 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.186 -0.461 . . . . 64.4 110.827 -179.906 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.767 0.317 . . . . 63.31 110.889 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.461 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -125.96 -179.55 4.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.239 -0.437 . . . . 65.41 110.898 179.874 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.461 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.457 . . . . 63.3 110.892 -179.968 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 16.7 mmt180 -55.05 127.63 29.94 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 64.21 110.894 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -68.21 179.9 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.451 . . . . 64.31 111.137 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 7.1 t80 -160.06 164.79 32.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 63.23 110.927 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.6 mpt_? -73.69 111.16 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.109 -0.496 . . . . 74.53 110.866 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.69 -21.63 3.21 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.691 -0.766 . . . . 74.45 112.457 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -136.47 127.6 42.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.898 0.38 . . . . 62.31 111.124 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 47.7 m-85 -77.54 110.3 12.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 75.21 110.868 -179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 10.3 mtt-85 -155.62 179.94 8.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 71.04 110.847 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 22.3 tpp180 -142.9 144.39 32.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 52.21 110.89 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.8 mtm180 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.217 -0.447 . . . . 73.34 110.861 -179.884 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 21.6 mtpt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.791 0.329 . . . . 74.55 110.896 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.47 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.93 -179.64 3.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.251 -0.432 . . . . 72.12 110.915 179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.47 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 72.43 110.904 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -54.96 128.44 33.46 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.16 -0.473 . . . . 52.4 110.865 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.427 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.1 m -69.29 165.24 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 72.03 111.126 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 5.4 t80 -144.53 162.8 35.68 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.905 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 22.4 mmm180 -72.54 110.67 7.08 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.112 -0.495 . . . . 74.13 110.884 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.26 -21.01 3.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.803 -0.713 . . . . 32.21 112.519 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 tp -136.42 127.18 41.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.838 0.352 . . . . 73.32 111.134 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 4.0 m-85 -76.84 109.95 11.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.156 -0.474 . . . . 72.23 110.963 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 21.5 mtt-85 -154.23 178.22 10.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 73.32 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 10.0 tpp180 -135.56 134.9 39.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.181 -0.463 . . . . 73.03 110.841 -179.872 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 47.1 mtt180 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 64.23 110.88 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.752 0.31 . . . . 63.42 110.91 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.471 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -115.43 -179.65 3.7 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.187 -0.46 . . . . 65.42 110.943 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.471 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.27 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 61.5 110.918 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -55.43 126.94 27.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.2 110.863 -179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.41 HG11 ' O ' ' A' ' 11' ' ' ARG . 19.5 m -66.21 136.65 26.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.187 -0.461 . . . . 65.13 111.109 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -114.75 154.09 29.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 72.13 110.943 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 10.3 mpt_? -64.43 110.06 2.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.114 -0.494 . . . . 71.12 110.821 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.9 -23.47 2.91 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 62.33 112.502 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.0 tp -131.2 127.08 60.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.836 0.35 . . . . 73.3 111.164 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 65.7 m-85 -77.55 110.0 11.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 70.02 110.911 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.41 ' O ' HG11 ' A' ' 5' ' ' VAL . 6.4 mtt-85 -155.6 179.97 8.67 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.111 -0.495 . . . . 75.31 110.846 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 18.0 tpt85 -137.93 137.87 38.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.867 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.4 mtp180 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 73.3 110.86 -179.93 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 20.5 pttp . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.741 0.305 . . . . 72.13 110.881 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.464 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -119.83 -179.63 3.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.34 110.93 179.895 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.464 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.24 -179.69 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.226 -0.443 . . . . 74.24 110.879 179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 62.8 mtt180 -55.1 127.57 29.71 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.115 -0.493 . . . . 65.12 110.89 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.428 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.5 m -68.27 139.03 21.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.465 . . . . 74.2 111.145 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -117.6 161.13 20.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.02 110.94 -179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.4 mpt_? -71.13 110.43 5.79 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 64.24 110.841 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.82 -23.07 2.95 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.753 -0.737 . . . . 43.21 112.49 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 tt -132.16 127.19 57.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.855 0.359 . . . . 72.01 111.142 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 93.7 m-85 -76.34 110.07 10.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.117 -0.492 . . . . 75.53 110.896 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 22.5 mtt-85 -155.95 179.58 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 75.14 110.888 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 38.6 ttm-85 -137.94 137.93 38.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 73.22 110.84 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 72.04 110.872 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 2.4 mtmp? . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.734 0.302 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -112.71 -179.62 3.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 73.14 110.929 179.885 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.21 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 61.55 110.889 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 72.9 mtm-85 -54.98 127.04 27.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 75.14 110.884 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.442 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -68.07 178.5 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 74.44 111.105 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -157.56 164.88 36.86 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.151 -0.477 . . . . 74.32 110.958 -179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 27.9 mmt180 -71.19 110.35 5.79 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 73.32 110.835 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.5 -23.82 2.95 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.713 -0.755 . . . . 31.52 112.495 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -133.94 127.78 52.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.869 0.366 . . . . 74.14 111.127 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -78.92 110.29 13.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 73.54 110.965 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -155.9 179.84 8.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 75.45 110.836 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.4 ttm180 -131.52 130.44 42.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 74.43 110.876 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 25.4 ptt180 . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 75.2 110.857 -179.878 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 35.0 mtpt . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.772 0.32 . . . . 45.34 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -116.17 -179.62 3.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.241 -0.436 . . . . 60.23 110.925 179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.19 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.439 . . . . 72.4 110.884 -179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 19.3 ttt-85 -55.02 128.28 32.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 74.14 110.843 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.447 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.4 m -69.48 158.51 5.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 74.24 111.174 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 22.7 t80 -138.5 163.72 31.25 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 75.32 110.896 -179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -71.16 111.27 6.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.11 -0.496 . . . . 73.41 110.861 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -20.93 3.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.773 -0.727 . . . . 61.14 112.494 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.8 tp -137.32 127.83 38.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.836 0.35 . . . . 75.21 111.153 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 85.8 m-85 -77.95 110.76 13.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.18 -0.464 . . . . 72.5 110.908 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . 0.415 ' O ' HG11 ' A' ' 5' ' ' VAL . 6.7 mtt-85 -155.64 179.52 9.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 65.42 110.882 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -140.22 140.39 35.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.433 . . . . 73.25 110.823 -179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 35.2 mtp85 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.481 . . . . 73.23 110.842 -179.896 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.797 0.332 . . . . 74.24 110.879 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.468 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -118.27 -179.6 3.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.462 . . . . 65.13 110.912 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.468 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.28 -179.7 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.437 . . . . 73.23 110.875 -179.938 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 7.4 ptt-85 -55.0 128.43 33.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 74.44 110.853 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.84 179.38 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 73.2 111.118 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 9.0 t80 -158.16 160.77 37.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.484 . . . . 64.33 110.909 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 8.1 mpt_? -71.12 110.65 5.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.108 -0.497 . . . . 72.34 110.909 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.72 -25.26 2.97 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.793 -0.718 . . . . 53.11 112.522 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.7 tp -131.83 127.36 58.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-O 120.85 0.357 . . . . 62.41 111.119 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 45.3 m-85 -77.3 110.25 11.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.192 -0.458 . . . . 61.04 110.931 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 7.6 mtt-85 -153.87 179.29 9.02 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.105 -0.498 . . . . 74.4 110.821 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 34.8 ttp180 -140.28 139.96 35.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.22 110.91 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 3.0 mtt85 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 62.21 110.843 -179.873 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 5.3 ptmm? . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.747 0.308 . . . . 74.51 110.899 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.474 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -114.6 -179.64 3.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 72.13 110.944 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.474 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.26 -179.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.272 -0.422 . . . . 74.33 110.865 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 8.9 mpt_? -55.06 128.44 33.69 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.143 -0.48 . . . . 71.24 110.862 -179.892 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.402 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.1 m -68.62 157.88 6.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 72.12 111.136 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -135.01 164.87 26.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 71.24 110.889 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 9.3 mpt_? -73.32 110.64 7.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.066 -0.515 . . . . 74.21 110.886 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 138.27 -24.26 2.96 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.746 -0.74 . . . . 72.4 112.514 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -131.26 127.11 59.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.852 0.358 . . . . 74.35 111.125 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -76.28 110.07 10.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 75.12 110.871 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.5 mtt-85 -156.25 179.9 8.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.106 -0.497 . . . . 72.22 110.853 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 54.2 ttp85 -135.91 126.97 27.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 75.44 110.902 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ptp85 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 72.11 110.867 -179.889 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.793 0.33 . . . . 72.33 110.926 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.452 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -123.41 -179.62 4.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.24 -0.436 . . . . 65.12 110.885 179.944 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.452 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.22 -179.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 74.24 110.914 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 23.9 ttt-85 -54.99 128.3 32.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 19.3 m -67.77 179.83 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.222 -0.445 . . . . 74.33 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 14.9 t80 -158.62 163.01 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 74.11 110.911 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -71.56 110.88 6.42 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 72.45 110.927 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.18 -21.24 3.32 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.745 -0.74 . . . . 31.41 112.51 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.29 127.34 42.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.882 0.372 . . . . 71.44 111.138 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 33.3 m-85 -78.25 110.28 13.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.137 -0.483 . . . . 72.44 110.959 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 25.6 mtt-85 -154.85 179.6 8.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.14 110.912 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.9 ttt-85 -131.06 130.43 43.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 62.11 110.887 -179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 17.3 ptt85 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 60.21 110.859 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LYS . . . . . . . . . . . . . 9.5 pttm . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.714 0.292 . . . . 72.3 110.903 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' TRP . . . . . 0.475 ' CG ' ' N ' ' A' ' 3' ' ' PHE . 0.0 OUTLIER -117.74 -179.58 3.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 74.53 110.912 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' PHE . . . . . 0.475 ' N ' ' CG ' ' A' ' 2' ' ' TRP . 0.3 OUTLIER -54.25 -179.74 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 71.22 110.869 -179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 34.5 mtt85 -54.99 128.41 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.872 -179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . 0.441 HG12 ' HE1' ' A' ' 2' ' ' TRP . 19.2 m -69.59 160.75 4.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 53.34 111.127 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' TYR . . . . . . . . . . . . . 19.4 t80 -141.07 159.49 42.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 73.52 110.95 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -66.04 111.82 3.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.481 . . . . 73.24 110.851 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' GLY . . . . . . . . . . . . . . . 137.97 -21.75 3.15 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 53.4 112.489 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.6 tp -136.07 127.36 43.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.821 0.343 . . . . 74.22 111.177 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 41.3 m-85 -77.62 110.02 12.09 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 71.32 110.896 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ARG . . . . . . . . . . . . . 9.0 mtt-85 -156.07 -179.98 8.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 70.43 110.843 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ARG . . . . . . . . . . . . . 5.2 tpt85 -134.76 123.66 23.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 73.32 110.833 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.2 ptt180 . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 73.51 110.89 -179.955 . . . . . . . . 0 0 . 1 stop_ save_