data_5y22_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 5y22 _Structure_validation_residue.Date_analyzed 2017-11-24 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.573 ' N ' HD13 ' A' ' 3' ' ' LEU . 38.0 mm -60.33 -42.46 90.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -77.07 -24.02 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.885 0.374 . . . . 0.0 110.284 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.0 48.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 3' ' ' LEU . 7.9 p -73.44 -38.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.78 -57.31 13.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.01 -32.85 56.79 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.074 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.9 t80 -55.45 -62.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.142 0.177 . . . . 0.0 111.294 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.411 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.6 p-90 -75.78 -32.15 59.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.001 -0.679 . . . . 0.0 111.458 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.2 p -90.63 -8.96 48.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.426 . . . . 0.0 111.431 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.94 -175.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.249 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.64 -37.6 53.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.523 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -80.79 -20.22 43.06 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.589 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.74 -43.06 48.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.056 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -73.45 -37.29 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.5 mpt_? -59.11 -59.39 5.54 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.621 0.248 . . . . 0.0 110.541 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -30.98 54.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.108 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.0 t80 -58.73 -65.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.19 . . . . 0.0 111.072 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.417 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 60.8 p-90 -69.96 -22.28 63.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.477 -173.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.48 -53.27 19.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.258 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -68.81 -10.63 57.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.189 0.518 . . . . 0.0 111.758 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.429 -177.465 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.488 ' H ' HD11 ' A' ' 3' ' ' LEU . 48.6 mm -60.38 -44.86 96.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -69.87 -30.98 68.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.377 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.19 71.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.333 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.8 p -80.81 -38.39 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.043 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.24 -57.43 9.5 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.63 -27.84 55.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.094 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.6 t80 -57.7 -64.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.083 0.153 . . . . 0.0 111.09 175.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -74.57 -28.13 60.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.448 -173.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.0 -29.81 70.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 112.068 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -91.28 -8.88 47.04 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.376 0.607 . . . . 0.0 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.945 -177.65 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.643 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.4 mm -60.36 -50.87 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.021 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -66.02 -29.93 70.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.94 57.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.03 -37.49 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.176 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.643 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 11.0 mpt_? -59.95 -57.58 12.26 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.681 0.277 . . . . 0.0 110.393 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.13 -27.5 62.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.113 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 32.3 t80 -60.56 -56.47 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.252 . . . . 0.0 110.976 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.431 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.9 p-90 -79.31 -27.68 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.344 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.89 -21.56 66.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.466 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -94.42 -37.42 11.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 173.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.447 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.525 HD11 ' N ' ' A' ' 4' ' ' ILE . 1.6 pp . . . . . 0 CA--C 1.511 -0.535 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.525 ' N ' HD11 ' A' ' 3' ' ' LEU . 46.0 mm -60.54 -42.52 91.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -69.77 -32.42 70.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.285 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -51.41 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 3' ' ' LEU . 4.3 p -70.03 -38.93 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.381 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -61.52 -56.98 14.12 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.302 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.55 -29.63 57.86 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.015 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.2 t80 -56.39 -64.17 0.95 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.168 0.187 . . . . 0.0 110.985 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 67.5 p-90 -70.09 -32.85 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.791 -175.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.08 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.786 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -90.75 -9.9 44.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 111.928 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.575 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp . . . . . 0 CA--C 1.513 -0.455 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 32.3 mm -59.43 -46.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.958 0.408 . . . . 0.0 110.142 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -67.13 -34.12 76.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.056 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -52.7 62.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.6 p -68.97 -38.3 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.397 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.629 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.9 mpt_? -59.91 -58.76 7.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.64 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.37 -32.25 63.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.889 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 18.6 t80 -56.76 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.206 . . . . 0.0 111.313 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -73.69 -29.0 62.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.392 -173.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.64 -32.03 73.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.99 -10.98 42.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.073 0.464 . . . . 0.0 111.616 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.019 -176.162 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.51 -34.96 48.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.347 0.594 . . . . 0.0 111.163 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.47 -23.66 46.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.724 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.16 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 2.4 p -75.48 -39.52 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.453 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.3 mpt_? -63.65 -53.9 44.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.861 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.0 -28.79 61.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.993 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 8.8 t80 -57.81 -61.54 2.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.43 -0.385 . . . . 0.0 111.25 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.453 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 66.9 p-90 -73.18 -27.28 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.245 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -32.02 73.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.644 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -89.22 -9.63 50.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.373 0.606 . . . . 0.0 111.044 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.238 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.7 pp . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.607 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 35.2 mm -61.28 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -69.3 -31.35 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.98 68.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.821 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.3 p -70.0 -35.03 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.827 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.607 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.0 mpt_? -60.28 -57.87 10.96 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 174.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 -28.21 50.02 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 24.0 t80 -59.6 -61.65 2.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.233 . . . . 0.0 111.123 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.518 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 69.0 p-90 -74.24 -24.87 59.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.415 -174.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 8' ' ' ARG . 79.6 mt -67.23 -31.48 71.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.072 0.463 . . . . 0.0 111.374 178.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.2 p -92.23 -9.3 42.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.207 0.527 . . . . 0.0 111.187 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.141 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.575 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 44.5 mm -56.92 -38.05 57.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.574 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -74.84 -23.35 58.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.57 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.6 -45.44 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.386 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.2 p -69.86 -34.86 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.0 mpt_? -60.53 -56.02 26.36 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.79 -30.87 60.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.533 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.6 t80 -55.11 -66.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.39 0.276 . . . . 0.0 111.406 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.442 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.7 p-90 -70.14 -30.81 68.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.223 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.47 -29.76 70.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 p -90.45 -9.5 47.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.186 0.517 . . . . 0.0 111.384 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.851 -175.514 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' HG11 ' A' ' 7' ' ' VAL . 1.7 pp . . . . . 0 CA--C 1.512 -0.512 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.598 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -61.91 -42.71 95.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.167 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -72.59 -31.38 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 0.0 110.253 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.72 70.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.166 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 3' ' ' LEU . 7.0 p -68.83 -38.19 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.153 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.598 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -57.43 -61.45 2.48 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 110.589 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.69 62.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.957 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 33.4 t80 -54.53 -66.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.508 0.323 . . . . 0.0 111.483 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -68.9 -33.68 74.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.988 -174.013 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.54 -36.02 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -90.91 -15.49 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.923 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -173.606 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -57.96 -41.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.933 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -72.14 -22.02 61.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.31 9.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.4 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.0 p -69.96 -39.57 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.45 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.6 mpt_? -59.08 -59.69 5.07 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 121.301 -0.16 . . . . 0.0 111.151 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.19 -31.14 56.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.124 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.6 t80 -57.55 -60.91 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.847 -0.177 . . . . 0.0 111.237 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.45 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.9 p-90 -76.27 -30.67 57.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.388 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.45 -28.66 69.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -90.66 -9.72 45.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 111.137 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.024 -175.665 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.563 HD11 ' N ' ' A' ' 4' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.517 -0.318 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.563 ' N ' HD11 ' A' ' 3' ' ' LEU . 44.4 mm -59.11 -45.57 92.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 0.0 109.93 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -73.37 -27.34 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.908 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.55 69.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 3' ' ' LEU . 6.4 p -77.92 -38.96 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.8 mpt_? -63.14 -55.96 20.8 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.9 59.88 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.228 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 10.5 t80 -54.27 -62.63 1.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.623 0.249 . . . . 0.0 111.25 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -74.76 -28.72 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.124 -174.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.27 -30.81 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.664 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -93.37 -28.69 16.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -169.416 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 CA--C 1.515 -0.383 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 3' ' ' LEU . 48.5 mm -57.7 -51.77 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.409 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -72.69 -19.7 61.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.719 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.98 40.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -79.85 -40.16 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.079 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.6 mpt_? -60.41 -57.95 10.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -27.73 48.91 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.473 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.477 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 4.9 t80 -59.22 -63.8 1.17 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.359 0.123 . . . . 0.0 110.818 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.422 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.0 p-90 -75.23 -28.26 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.701 -174.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.82 -35.63 81.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 p -87.17 -11.2 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.783 -174.887 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.4 pp . . . . . 0 CA--C 1.513 -0.475 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.57 ' N ' HD12 ' A' ' 3' ' ' LEU . 47.7 mm -59.29 -41.65 84.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.235 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.53 -31.15 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.492 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.78 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.068 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -68.06 -35.31 71.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.4 mpt_? -61.85 -54.33 43.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 110.536 175.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.31 -30.7 58.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.999 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.527 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.8 t80 -56.63 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.372 0.269 . . . . 0.0 111.465 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.525 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.7 p-90 -77.7 -32.31 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.431 -175.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.84 -27.93 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 -18.06 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -172.742 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.517 HD13 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 3' ' ' LEU . 40.4 mm -59.35 -44.79 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -67.61 -31.75 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.352 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.04 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.517 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.544 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.6 p -88.59 -39.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 9.3 mpt_? -63.78 -60.2 3.59 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.574 0.226 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -29.26 50.68 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.033 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 31.4 t80 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.575 0.35 . . . . 0.0 111.093 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.262 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.9 -49.46 74.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.381 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -77.98 -9.47 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.068 0.461 . . . . 0.0 111.469 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.821 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.232 0.148 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.543 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 34.0 mm -57.87 -36.81 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -176.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -72.97 -24.3 60.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.612 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.8 -46.9 20.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.496 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -70.01 -37.06 71.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.038 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.7 mpt_? -63.7 -55.32 24.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.627 0.251 . . . . 0.0 110.425 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.29 61.41 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.977 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.519 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 15.9 t80 -54.01 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.782 0.433 . . . . 0.0 111.497 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.2 p-90 -76.27 -29.4 57.43 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.247 -175.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.82 -29.65 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 p -92.76 -19.48 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.912 0.387 . . . . 0.0 112.041 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -170.235 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 4' ' ' ILE . 3.1 pp . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.513 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.6 mm -56.46 -41.68 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.14 -35.87 76.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.295 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.7 -51.87 30.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.098 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.492 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.7 p -67.69 -34.79 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.437 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 8.3 mpt_? -57.44 -61.16 2.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.532 0.205 . . . . 0.0 110.738 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.69 -25.88 56.44 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.251 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.492 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 44.1 t80 -62.21 -58.74 6.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.281 . . . . 0.0 111.451 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.74 -30.53 51.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.39 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -27.82 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.713 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -92.93 -21.68 19.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.549 HD11 ' N ' ' A' ' 4' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.578 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.7 mm -58.14 -46.0 88.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.81 -29.03 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 0.0 110.417 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 -54.11 15.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.741 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.8 p -65.55 -35.65 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.34 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.578 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.47 -60.26 4.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.492 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.58 -32.49 53.5 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.996 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.531 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 54.7 t80 -56.9 -64.02 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.613 -0.293 . . . . 0.0 111.237 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . 0.435 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 61.1 p-90 -71.94 -25.12 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.53 -174.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.06 -30.33 69.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.017 0.437 . . . . 0.0 111.488 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.1 p -91.76 -8.34 47.08 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.498 0.666 . . . . 0.0 110.66 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.415 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.568 ' O ' HG11 ' A' ' 7' ' ' VAL . 1.6 pp . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.59 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 39.7 mm -59.72 -45.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.245 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -70.21 -32.47 70.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.192 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.72 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.369 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 3' ' ' LEU . 3.3 p -70.23 -38.35 74.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 121.272 -0.171 . . . . 0.0 110.946 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.9 mpt_? -60.95 -55.93 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -32.44 66.55 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.695 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 37.1 t80 -54.78 -67.67 0.25 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.456 0.303 . . . . 0.0 111.052 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -68.15 -31.94 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.234 -173.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.84 -33.14 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -90.69 -9.89 45.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.473 . . . . 0.0 111.347 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.556 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.3 pp . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . 0.552 ' N ' HD12 ' A' ' 3' ' ' LEU . 43.3 mm -60.29 -45.39 96.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.001 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -74.66 -26.8 60.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.14 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -49.69 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.64 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.36 -37.06 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 7.3 mpt_? -58.26 -57.94 10.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.527 0.203 . . . . 0.0 110.606 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.88 59.82 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.148 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 25.9 t80 -60.26 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.17 0.188 . . . . 0.0 111.052 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -71.6 -31.71 67.22 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.131 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -58.84 -32.87 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.635 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -17.37 24.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -171.37 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.685 0.278 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -84.89 149.47 25.64 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.182 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.573 HD13 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp -55.49 -29.34 58.61 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.803 -1.089 . . . . 0.0 113.92 -171.485 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.573 ' N ' HD13 ' A' ' 3' ' ' LEU . 38.0 mm -60.33 -42.46 90.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -77.07 -24.02 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.885 0.374 . . . . 0.0 110.284 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.0 48.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.49 HG11 ' O ' ' A' ' 3' ' ' LEU . 7.9 p -73.44 -38.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.516 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.78 -57.31 13.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.01 -32.85 56.79 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.074 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.9 t80 -55.45 -62.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.142 0.177 . . . . 0.0 111.294 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.612 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.6 p-90 -75.78 -32.15 59.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.001 -0.679 . . . . 0.0 111.458 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.2 p -90.63 -8.96 48.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.426 . . . . 0.0 111.431 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.96 -31.88 11.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.94 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.612 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 74.9 mmtt -66.63 -24.97 66.37 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.824 0.821 . . . . 0.0 109.863 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.3 p -93.08 127.41 47.32 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.191 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -65.09 120.4 7.62 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.071 1.847 . . . . 0.0 111.277 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.35 82.17 2.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.764 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -78.48 -18.23 55.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.82 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.6 ptm180 -78.99 132.62 63.22 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.346 178.088 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 3.0 Cg_exo -74.73 63.6 5.74 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.731 2.287 . . . . 0.0 111.628 174.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.228 -176.36 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.51 HD21 ' H1 ' ' A' ' 1' ' ' LEU . 3.5 mm? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.918 0.39 . . . . 0.0 110.539 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -146.67 145.56 30.06 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.21 -55.98 17.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.64 -37.6 53.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.523 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -80.79 -20.22 43.06 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.589 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.74 -43.06 48.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.056 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -73.45 -37.29 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.417 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.5 mpt_? -59.11 -59.39 5.54 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.621 0.248 . . . . 0.0 110.541 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -30.98 54.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.108 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.457 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.0 t80 -58.73 -65.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.19 . . . . 0.0 111.072 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.588 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 60.8 p-90 -69.96 -22.28 63.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.477 -173.265 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.48 -53.27 19.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.258 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -68.81 -10.63 57.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.189 0.518 . . . . 0.0 111.758 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -96.77 -7.3 34.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.429 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.588 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 48.4 mmtm -88.8 -6.2 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.999 0.904 . . . . 0.0 108.93 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.17 124.09 50.65 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 114.077 -1.42 . . . . 0.0 110.28 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.55 117.58 5.21 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.013 1.809 . . . . 0.0 111.239 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 mt -130.61 94.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.853 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -88.43 -3.19 58.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -88.91 153.25 49.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.79 27.63 0.5 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.05 2.5 . . . . 0.0 112.389 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.247 0.935 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.665 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.135 0.493 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.559 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -163.97 133.14 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.124 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.489 ' O ' HG12 ' A' ' 7' ' ' VAL . 0.4 OUTLIER -60.1 -30.61 69.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.68 -176.86 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.488 ' H ' HD11 ' A' ' 3' ' ' LEU . 48.6 mm -60.38 -44.86 96.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -69.87 -30.98 68.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.377 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.19 71.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.333 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.8 p -80.81 -38.39 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.043 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.24 -57.43 9.5 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.63 -27.84 55.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.094 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.45 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.6 t80 -57.7 -64.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.083 0.153 . . . . 0.0 111.09 175.747 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -74.57 -28.13 60.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.448 -173.605 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.0 -29.81 70.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 112.068 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -91.28 -8.88 47.04 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.376 0.607 . . . . 0.0 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.43 -59.75 1.65 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.945 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -69.43 -29.2 66.86 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.528 0.68 . . . . 0.0 110.169 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 t -101.17 127.08 32.74 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.618 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.77 119.32 6.29 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.049 1.833 . . . . 0.0 111.663 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.85 97.69 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.737 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -83.44 -32.27 26.16 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.359 -178.084 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.4 ptm180 -67.9 130.85 92.64 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.318 179.38 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 31.8 Cg_exo -58.15 114.06 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.653 2.235 . . . . 0.0 111.821 178.315 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.688 -177.873 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.684 0.278 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -163.45 124.0 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.556 HD13 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp -62.94 -28.09 69.83 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.643 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.4 mm -60.36 -50.87 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.021 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -66.02 -29.93 70.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.94 57.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.517 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.03 -37.49 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.176 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.643 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 11.0 mpt_? -59.95 -57.58 12.26 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.681 0.277 . . . . 0.0 110.393 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.13 -27.5 62.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.113 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.488 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 32.3 t80 -60.56 -56.47 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.252 . . . . 0.0 110.976 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.477 ' HB2' ' HE2' ' A' ' 15' ' ' LYS . 63.9 p-90 -79.31 -27.68 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.344 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.89 -21.56 66.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.466 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -94.42 -37.42 11.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 173.058 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -86.02 -38.66 17.65 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.477 ' HE2' ' HB2' ' A' ' 11' ' ' TRP . 59.1 mttm -69.17 -5.27 21.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.763 0.792 . . . . 0.0 110.706 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.83 110.22 48.35 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.473 -176.294 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.59 126.99 16.36 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.155 1.903 . . . . 0.0 111.555 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -85.59 71.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.529 0.681 . . . . 0.0 109.324 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.9 -44.47 63.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.835 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -98.26 134.58 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.418 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -43.11 105.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.903 3.069 . . . . 0.0 113.126 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.673 -0.68 . . . . 0.0 109.834 -179.095 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.424 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 2.1 tpm_? 73.39 121.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.385 0.674 . . . . 0.0 110.976 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.525 HD11 ' N ' ' A' ' 4' ' ' ILE . 1.6 pp -62.57 -27.97 69.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.277 -177.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.525 ' N ' HD11 ' A' ' 3' ' ' LEU . 46.0 mm -60.54 -42.52 91.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -69.77 -32.42 70.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.285 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -51.41 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.523 HG13 ' O ' ' A' ' 3' ' ' LEU . 4.3 p -70.03 -38.93 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.381 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.523 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -61.52 -56.98 14.12 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.302 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.55 -29.63 57.86 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.015 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.51 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.2 t80 -56.39 -64.17 0.95 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.168 0.187 . . . . 0.0 110.985 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.692 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 67.5 p-90 -70.09 -32.85 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.791 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.08 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.786 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -90.75 -9.9 44.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 111.928 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -100.21 -32.99 10.62 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.692 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 28.0 mmmt -60.56 -25.93 66.54 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 109.378 175.734 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.3 t -62.03 124.11 80.58 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.071 -177.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.12 124.62 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.056 1.837 . . . . 0.0 110.449 172.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.43 81.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.329 0.585 . . . . 0.0 110.025 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -71.39 -58.02 3.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.047 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -100.93 142.76 25.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.855 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.47 88.99 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.682 2.254 . . . . 0.0 111.649 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.037 -177.73 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -141.35 140.97 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.555 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp -58.17 -24.99 60.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -176.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.629 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 32.3 mm -59.43 -46.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.958 0.408 . . . . 0.0 110.142 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -67.13 -34.12 76.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.056 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -52.7 62.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.536 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.6 p -68.97 -38.3 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.397 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.629 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.9 mpt_? -59.91 -58.76 7.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.64 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.37 -32.25 63.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.889 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.426 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 18.6 t80 -56.76 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.206 . . . . 0.0 111.313 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.494 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 57.7 p-90 -73.69 -29.0 62.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.392 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.64 -32.03 73.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.99 -10.98 42.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.073 0.464 . . . . 0.0 111.616 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -100.22 -20.13 16.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.019 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.494 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 49.6 mmtm -75.16 -6.96 52.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.634 0.731 . . . . 0.0 110.328 176.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.97 124.42 79.06 Favored Pre-proline 0 C--N 1.31 -1.151 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.943 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.57 138.59 85.22 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.839 2.359 . . . . 0.0 111.861 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 31.7 mt -105.69 112.01 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -57.62 -13.2 3.55 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.197 -1.365 . . . . 0.0 113.119 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -56.07 134.2 74.34 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 110.95 179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.23 100.36 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.538 2.159 . . . . 0.0 111.648 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.068 -178.475 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -148.34 171.14 16.49 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -57.98 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.51 -34.96 48.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.347 0.594 . . . . 0.0 111.163 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.47 -23.66 46.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.724 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.16 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.514 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 2.4 p -75.48 -39.52 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.453 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.3 mpt_? -63.65 -53.9 44.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.861 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.0 -28.79 61.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.993 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.514 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 8.8 t80 -57.81 -61.54 2.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.43 -0.385 . . . . 0.0 111.25 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.508 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 66.9 p-90 -73.18 -27.28 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.245 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -32.02 73.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.644 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -89.22 -9.63 50.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.373 0.606 . . . . 0.0 111.044 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -25.05 19.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.238 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.508 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.0 mmtp -71.29 -8.33 52.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.85 0.833 . . . . 0.0 110.057 175.474 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -93.32 123.25 61.14 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.215 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.53 130.28 27.74 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.22 1.947 . . . . 0.0 111.638 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.3 mt -84.74 79.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 0.0 109.861 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -80.12 -19.96 46.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.482 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.401 ' HE ' ' C ' ' A' ' 22' ' ' SER . 14.4 ptm180 -67.39 129.83 93.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.866 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 12.3 Cg_exo -68.24 -9.25 25.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.616 2.211 . . . . 0.0 112.846 -178.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.401 ' C ' ' HE ' ' A' ' 20' ' ' ARG . 12.3 t . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.494 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 121.182 0.515 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -147.21 119.88 8.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.74 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.7 pp -64.12 -30.0 71.09 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.715 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.607 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 35.2 mm -61.28 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.673 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -69.3 -31.35 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.98 68.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.821 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.529 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.3 p -70.0 -35.03 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.827 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.607 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.0 mpt_? -60.28 -57.87 10.96 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 174.517 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 -28.21 50.02 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.529 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 24.0 t80 -59.6 -61.65 2.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.233 . . . . 0.0 111.123 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.518 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 69.0 p-90 -74.24 -24.87 59.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.415 -174.542 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 8' ' ' ARG . 79.6 mt -67.23 -31.48 71.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.072 0.463 . . . . 0.0 111.374 178.162 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.2 p -92.23 -9.3 42.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.207 0.527 . . . . 0.0 111.187 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.05 -59.71 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.141 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.0 -22.97 66.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.461 0.648 . . . . 0.0 110.274 -174.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.403 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.2 t -100.1 123.25 47.64 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.548 -174.092 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . 0.403 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 16.6 Cg_exo -66.34 124.81 13.0 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.453 2.102 . . . . 0.0 111.633 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -99.57 88.9 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.762 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -92.23 -20.74 20.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.746 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -62.37 146.43 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.939 179.384 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 24.6 Cg_exo -63.8 84.53 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.802 2.335 . . . . 0.0 111.996 175.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.1 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.467 HD11 ' H3 ' ' A' ' 1' ' ' LEU . 5.2 mp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -64.28 152.96 39.65 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -61.51 2.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -170.454 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.575 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 44.5 mm -56.92 -38.05 57.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.574 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -74.84 -23.35 58.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.57 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.6 -45.44 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.386 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.2 p -69.86 -34.86 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.575 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.0 mpt_? -60.53 -56.02 26.36 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.79 -30.87 60.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.533 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.6 t80 -55.11 -66.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.39 0.276 . . . . 0.0 111.406 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.583 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.7 p-90 -70.14 -30.81 68.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.223 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.47 -29.76 70.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 p -90.45 -9.5 47.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.186 0.517 . . . . 0.0 111.384 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -100.24 -22.21 15.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.851 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.583 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 74.8 mmtt -73.11 -8.64 56.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.742 0.782 . . . . 0.0 109.95 175.137 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.02 116.45 66.22 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.021 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.85 146.45 83.21 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.294 1.996 . . . . 0.0 111.361 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.2 mt -82.62 76.68 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.577 0.703 . . . . 0.0 110.216 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -89.14 -35.77 16.08 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.822 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.51 147.81 34.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.47 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.2 79.15 2.46 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.217 1.944 . . . . 0.0 111.19 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.199 -179.189 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.86 133.44 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.018 0.437 . . . . 0.0 110.209 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.505 ' O ' HG11 ' A' ' 7' ' ' VAL . 1.7 pp -63.61 -27.32 69.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.557 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.598 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -61.91 -42.71 95.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.167 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -72.59 -31.38 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 0.0 110.253 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.72 70.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.166 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.505 HG11 ' O ' ' A' ' 3' ' ' LEU . 7.0 p -68.83 -38.19 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.153 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.598 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -57.43 -61.45 2.48 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 110.589 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.69 62.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.957 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.462 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 33.4 t80 -54.53 -66.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.508 0.323 . . . . 0.0 111.483 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.587 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 61.5 p-90 -68.9 -33.68 74.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.988 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.54 -36.02 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -90.91 -15.49 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.923 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -94.84 -22.53 17.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -173.606 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.587 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 75.2 mmtt -72.85 -9.68 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 0.0 109.785 175.35 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.61 123.03 66.32 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.578 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.97 155.14 19.88 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.413 2.075 . . . . 0.0 112.154 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt 52.56 91.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.675 0.75 . . . . 0.0 111.862 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -93.82 -15.56 24.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.423 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 17.1 ptp180 -78.7 133.47 62.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.093 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . 0.423 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 24.3 Cg_exo -62.62 133.05 40.46 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.727 2.285 . . . . 0.0 113.255 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.016 177.524 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.47 HD21 ' H2 ' ' A' ' 1' ' ' LEU . 2.1 mm? . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -178.64 163.11 1.46 Allowed 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.41 -57.67 9.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.912 0.387 . . . . 0.0 111.751 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -57.96 -41.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.933 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -72.14 -22.02 61.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.31 9.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.4 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.474 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.0 p -69.96 -39.57 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.45 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.6 mpt_? -59.08 -59.69 5.07 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 121.301 -0.16 . . . . 0.0 111.151 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.19 -31.14 56.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.124 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.6 t80 -57.55 -60.91 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.847 -0.177 . . . . 0.0 111.237 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.646 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.9 p-90 -76.27 -30.67 57.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.388 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.45 -28.66 69.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -90.66 -9.72 45.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 111.137 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -100.9 -20.87 15.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.024 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.646 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 32.0 mmmt -72.77 -4.31 30.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.67 0.748 . . . . 0.0 110.258 176.491 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.69 110.86 48.06 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.096 -177.545 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.39 154.72 68.79 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.157 1.904 . . . . 0.0 112.078 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt 47.27 77.89 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.986 0.804 . . . . 0.0 110.581 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -66.07 -28.33 68.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.554 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.1 mtt180 -83.66 135.24 43.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.0 Cg_exo -76.55 44.1 1.34 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.585 2.19 . . . . 0.0 111.395 173.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.738 -0.649 . . . . 0.0 109.287 -176.496 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -86.4 146.54 26.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.387 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.563 HD11 ' N ' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -56.89 -28.57 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.695 -178.563 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.563 ' N ' HD11 ' A' ' 3' ' ' LEU . 44.4 mm -59.11 -45.57 92.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 0.0 109.93 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -73.37 -27.34 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.908 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.55 69.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.504 HG13 ' O ' ' A' ' 3' ' ' LEU . 6.4 p -77.92 -38.96 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.8 mpt_? -63.14 -55.96 20.8 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.9 59.88 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.228 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.466 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 10.5 t80 -54.27 -62.63 1.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.623 0.249 . . . . 0.0 111.25 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.7 p-90 -74.76 -28.72 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.124 -174.733 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.27 -30.81 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.664 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -93.37 -28.69 16.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -88.04 -35.91 17.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.52 ' HB3' ' HZ2' ' A' ' 15' ' ' LYS . 3.1 mmmp? -68.56 -10.63 57.03 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.48 0.657 . . . . 0.0 110.379 -178.827 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.14 116.94 67.8 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.696 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.5 140.66 27.23 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.517 2.145 . . . . 0.0 112.142 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.7 mt -105.62 71.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.415 0.626 . . . . 0.0 109.819 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -92.28 -28.69 16.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.944 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.58 123.56 84.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.249 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -47.97 102.56 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 112.241 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.71 -177.434 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -139.21 112.63 8.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.399 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.561 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.2 pp -61.85 -29.85 70.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.005 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.561 ' N ' HD12 ' A' ' 3' ' ' LEU . 48.5 mm -57.7 -51.77 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.409 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -72.69 -19.7 61.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.719 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.98 40.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -79.85 -40.16 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.079 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.496 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.6 mpt_? -60.41 -57.95 10.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -27.73 48.91 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.473 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.477 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 4.9 t80 -59.22 -63.8 1.17 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.359 0.123 . . . . 0.0 110.818 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.551 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 67.0 p-90 -75.23 -28.26 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.701 -174.075 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.82 -35.63 81.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 p -87.17 -11.2 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -96.09 -20.45 18.64 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.783 -174.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.7 mmtp -75.36 -10.01 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.7 0.762 . . . . 0.0 109.75 175.735 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -86.61 115.27 61.67 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.493 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.44 163.43 36.2 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.638 2.225 . . . . 0.0 111.755 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 84.2 mt 60.13 84.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.518 0.675 . . . . 0.0 111.437 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.54 -27.11 64.87 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.959 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.81 151.62 41.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.792 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -80.07 57.07 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.76 2.307 . . . . 0.0 112.045 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.377 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.783 0.325 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -115.78 111.11 20.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.946 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.57 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.4 pp -63.24 -27.95 69.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.717 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.57 ' N ' HD12 ' A' ' 3' ' ' LEU . 47.7 mm -59.29 -41.65 84.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.235 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.53 -31.15 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.492 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.78 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.068 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.527 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -68.06 -35.31 71.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.525 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.4 mpt_? -61.85 -54.33 43.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 110.536 175.051 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.31 -30.7 58.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.999 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.527 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.8 t80 -56.63 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.372 0.269 . . . . 0.0 111.465 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.551 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.7 p-90 -77.7 -32.31 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.431 -175.587 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.84 -27.93 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 -18.06 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -100.23 -28.64 12.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.551 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 35.2 mmtp -68.64 -10.2 54.64 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.554 0.692 . . . . 0.0 110.203 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.87 111.28 20.3 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.63 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -79.83 117.74 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.812 1.675 . . . . 0.0 111.066 177.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.0 mt -128.16 81.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -94.26 -17.88 22.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.968 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.545 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -84.98 155.46 60.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.308 174.934 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.92 101.74 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.535 2.157 . . . . 0.0 111.956 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 C--O 1.253 1.258 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.608 179.594 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.038 0.446 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -150.94 121.25 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.517 HD13 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp -63.57 -29.88 71.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.517 ' N ' HD13 ' A' ' 3' ' ' LEU . 40.4 mm -59.35 -44.79 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -67.61 -31.75 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.352 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.04 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.517 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.544 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.6 p -88.59 -39.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 9.3 mpt_? -63.78 -60.2 3.59 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.574 0.226 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -29.26 50.68 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.033 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.544 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 31.4 t80 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.575 0.35 . . . . 0.0 111.093 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.586 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.8 p-90 -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.262 -173.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.9 -49.46 74.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.381 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -77.98 -9.47 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.068 0.461 . . . . 0.0 111.469 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.21 -32.31 17.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.821 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.586 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.8 mmtp -61.55 -30.72 70.83 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.839 0.828 . . . . 0.0 109.278 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.412 ' H ' HG23 ' A' ' 16' ' ' VAL . 2.3 t -61.57 130.7 92.27 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.426 176.864 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -60.35 119.35 6.49 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.224 1.949 . . . . 0.0 112.04 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.59 88.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.36 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -87.5 -23.3 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.093 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -87.04 152.43 53.27 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.462 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.09 112.47 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.383 2.055 . . . . 0.0 112.317 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.327 179.665 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -108.09 166.25 10.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 tt -51.16 -61.22 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -174.576 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.543 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 34.0 mm -57.87 -36.81 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -176.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -72.97 -24.3 60.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.612 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.8 -46.9 20.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.496 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.519 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -70.01 -37.06 71.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.038 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.543 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.7 mpt_? -63.7 -55.32 24.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.627 0.251 . . . . 0.0 110.425 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.29 61.41 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.977 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.519 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 15.9 t80 -54.01 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.782 0.433 . . . . 0.0 111.497 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.421 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.2 p-90 -76.27 -29.4 57.43 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.247 -175.382 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.82 -29.65 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 p -92.76 -19.48 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.912 0.387 . . . . 0.0 112.041 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.11 -35.39 9.69 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.38 -3.0 21.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.769 0.795 . . . . 0.0 110.716 -177.232 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -91.95 115.35 64.46 Favored Pre-proline 0 C--N 1.307 -1.277 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.919 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -69.37 119.76 6.69 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.263 1.975 . . . . 0.0 111.062 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.06 94.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.065 0.46 . . . . 0.0 110.019 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -82.72 -19.32 38.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.58 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -81.61 155.05 71.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.0 88.23 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.559 2.172 . . . . 0.0 111.89 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.585 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 70.07 123.53 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 O-C-N 123.934 0.771 . . . . 0.0 110.661 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.491 HD12 ' N ' ' A' ' 4' ' ' ILE . 3.1 pp -60.32 -26.55 66.63 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.952 -177.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.513 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.6 mm -56.46 -41.68 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.14 -35.87 76.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.295 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.7 -51.87 30.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.098 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.492 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.7 p -67.69 -34.79 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.437 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.513 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 8.3 mpt_? -57.44 -61.16 2.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.532 0.205 . . . . 0.0 110.738 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.69 -25.88 56.44 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.251 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.492 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 44.1 t80 -62.21 -58.74 6.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.281 . . . . 0.0 111.451 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.446 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 64.4 p-90 -77.74 -30.53 51.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.39 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -27.82 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.713 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -92.93 -21.68 19.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -95.81 -32.68 12.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.446 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.6 mmtp -73.51 -11.83 60.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.585 0.707 . . . . 0.0 110.44 -178.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -68.36 130.18 92.4 Favored Pre-proline 0 C--N 1.313 -0.993 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.171 -179.718 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.46 145.49 8.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.654 2.903 . . . . 0.0 113.661 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.502 HG23 ' H ' ' A' ' 20' ' ' ARG . 30.9 mt -137.87 127.72 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -55.54 -22.36 21.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.836 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.502 ' H ' HG23 ' A' ' 18' ' ' ILE . 46.9 mtp180 -95.71 132.17 27.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.95 105.96 0.18 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.74 2.293 . . . . 0.0 111.852 177.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.561 -176.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.507 HD22 ' H1 ' ' A' ' 1' ' ' LEU . 2.7 mm? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -114.96 134.82 54.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.043 0.449 . . . . 0.0 110.152 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.549 HD11 ' N ' ' A' ' 4' ' ' ILE . 1.0 OUTLIER -57.9 -26.23 61.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.813 -178.262 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.578 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.7 mm -58.14 -46.0 88.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.81 -29.03 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 0.0 110.417 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 -54.11 15.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.741 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.531 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.8 p -65.55 -35.65 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.34 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.578 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.47 -60.26 4.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.492 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.58 -32.49 53.5 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.996 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.531 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 54.7 t80 -56.9 -64.02 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.613 -0.293 . . . . 0.0 111.237 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.435 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 61.1 p-90 -71.94 -25.12 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.53 -174.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.06 -30.33 69.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.017 0.437 . . . . 0.0 111.488 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.1 p -91.76 -8.34 47.08 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.498 0.666 . . . . 0.0 110.66 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.407 ' HB2' ' HA ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -93.67 -63.16 1.23 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.415 -179.087 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -69.42 -25.99 64.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.969 -173.576 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.43 123.19 47.22 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.358 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -64.56 125.07 14.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.342 2.028 . . . . 0.0 111.449 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.8 mt -91.03 76.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.414 0.626 . . . . 0.0 110.142 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.63 -30.78 46.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.43 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -85.76 134.88 38.7 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.86 105.72 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.692 2.261 . . . . 0.0 111.09 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.529 -176.465 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . 0.464 ' HG ' ' H ' ' A' ' 2' ' ' ARG . 18.5 tp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . 0.464 ' H ' ' HG ' ' A' ' 1' ' ' LEU . 0.8 OUTLIER -50.72 137.94 19.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.689 177.752 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.568 ' O ' HG11 ' A' ' 7' ' ' VAL . 1.6 pp -60.39 -26.71 66.86 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.272 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.59 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 39.7 mm -59.72 -45.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.245 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -70.21 -32.47 70.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.192 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.72 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.369 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.568 HG11 ' O ' ' A' ' 3' ' ' LEU . 3.3 p -70.23 -38.35 74.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 121.272 -0.171 . . . . 0.0 110.946 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.59 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.9 mpt_? -60.95 -55.93 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -32.44 66.55 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.695 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 37.1 t80 -54.78 -67.67 0.25 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.456 0.303 . . . . 0.0 111.052 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.607 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 61.5 p-90 -68.15 -31.94 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.234 -173.66 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.84 -33.14 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -90.69 -9.89 45.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.473 . . . . 0.0 111.347 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -36.59 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.556 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.607 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 31.8 mmmt -63.2 -17.54 62.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.513 0.673 . . . . 0.0 109.764 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 t -86.41 117.19 68.28 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.177 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -71.02 117.94 5.43 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.766 1.644 . . . . 0.0 111.468 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.93 78.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.519 . . . . 0.0 109.837 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -95.33 -21.58 18.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.878 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -97.32 148.03 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.882 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -83.6 121.95 3.04 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.547 2.164 . . . . 0.0 111.598 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.429 -179.514 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -141.07 135.39 30.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.3 pp -58.44 -27.76 64.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.396 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . 0.552 ' N ' HD12 ' A' ' 3' ' ' LEU . 43.3 mm -60.29 -45.39 96.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.001 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -74.66 -26.8 60.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.14 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -49.69 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.64 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.36 -37.06 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . 0.469 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 7.3 mpt_? -58.26 -57.94 10.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.527 0.203 . . . . 0.0 110.606 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.88 59.82 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.148 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . 0.478 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 25.9 t80 -60.26 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.17 0.188 . . . . 0.0 111.052 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TRP . . . . . 0.569 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.1 p-90 -71.6 -31.71 67.22 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.131 -173.564 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -58.84 -32.87 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.635 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -17.37 24.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -97.04 -29.3 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -171.37 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LYS . . . . . 0.569 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 1.4 mmmp? -73.04 -12.24 60.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.115 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -73.91 125.06 90.59 Favored Pre-proline 0 C--N 1.311 -1.074 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.496 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 140.86 94.31 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.383 2.055 . . . . 0.0 111.267 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.6 mt -84.57 79.27 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.695 0.759 . . . . 0.0 109.792 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.12 -3.84 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.404 ' H ' ' HD3' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -87.71 122.99 70.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.76 124.88 14.88 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.8 2.333 . . . . 0.0 111.969 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.964 179.596 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 3' ' ' LEU . 38.0 mm -60.33 -42.46 90.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -77.07 -24.02 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.885 0.374 . . . . 0.0 110.284 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.0 48.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.9 p -73.44 -38.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.78 -57.31 13.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.01 -32.85 56.79 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.074 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.9 t80 -55.45 -62.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.142 0.177 . . . . 0.0 111.294 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.6 p-90 -75.78 -32.15 59.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.001 -0.679 . . . . 0.0 111.458 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.2 p -90.63 -8.96 48.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.426 . . . . 0.0 111.431 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.94 -175.818 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.249 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.64 -37.6 53.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.523 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -80.79 -20.22 43.06 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.589 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.74 -43.06 48.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.056 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -73.45 -37.29 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.5 mpt_? -59.11 -59.39 5.54 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.621 0.248 . . . . 0.0 110.541 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -30.98 54.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.108 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.0 t80 -58.73 -65.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.19 . . . . 0.0 111.072 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.428 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 60.8 p-90 -69.96 -22.28 63.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.477 -173.265 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.48 -53.27 19.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.258 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -68.81 -10.63 57.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.189 0.518 . . . . 0.0 111.758 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.429 -177.465 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 3' ' ' LEU . 48.6 mm -60.38 -44.86 96.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -69.87 -30.98 68.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.377 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.19 71.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.333 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.8 p -80.81 -38.39 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.043 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.24 -57.43 9.5 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.63 -27.84 55.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.094 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.6 t80 -57.7 -64.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.083 0.153 . . . . 0.0 111.09 175.747 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -74.57 -28.13 60.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.448 -173.605 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.0 -29.81 70.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 112.068 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -91.28 -8.88 47.04 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.376 0.607 . . . . 0.0 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.945 -177.65 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.4 mm -60.36 -50.87 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.021 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -66.02 -29.93 70.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.94 57.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.03 -37.49 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.176 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 11.0 mpt_? -59.95 -57.58 12.26 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.681 0.277 . . . . 0.0 110.393 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.13 -27.5 62.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.113 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 32.3 t80 -60.56 -56.47 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.252 . . . . 0.0 110.976 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.439 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.9 p-90 -79.31 -27.68 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.344 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.89 -21.56 66.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.466 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -94.42 -37.42 11.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 173.058 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.447 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.521 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.6 pp . . . . . 0 CA--C 1.511 -0.535 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.534 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -60.54 -42.52 91.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -69.77 -32.42 70.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.285 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -51.41 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.3 p -70.03 -38.93 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.381 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -61.52 -56.98 14.12 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.302 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.55 -29.63 57.86 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.015 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.2 t80 -56.39 -64.17 0.95 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.168 0.187 . . . . 0.0 110.985 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.401 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.5 p-90 -70.09 -32.85 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.791 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.08 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.786 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -90.75 -9.9 44.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 111.928 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.575 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp . . . . . 0 CA--C 1.513 -0.455 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.645 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 32.3 mm -59.43 -46.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.958 0.408 . . . . 0.0 110.142 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -67.13 -34.12 76.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.056 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -52.7 62.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.6 p -68.97 -38.3 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.397 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.645 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.9 mpt_? -59.91 -58.76 7.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.64 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.37 -32.25 63.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.889 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 18.6 t80 -56.76 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.206 . . . . 0.0 111.313 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -73.69 -29.0 62.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.392 -173.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.64 -32.03 73.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.99 -10.98 42.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.073 0.464 . . . . 0.0 111.616 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.019 -176.162 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.51 -34.96 48.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.347 0.594 . . . . 0.0 111.163 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.47 -23.66 46.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.724 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.16 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 2.4 p -75.48 -39.52 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.466 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.3 mpt_? -63.65 -53.9 44.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.861 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.0 -28.79 61.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.993 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 8.8 t80 -57.81 -61.54 2.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.43 -0.385 . . . . 0.0 111.25 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.466 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 66.9 p-90 -73.18 -27.28 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.245 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -32.02 73.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.644 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -89.22 -9.63 50.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.373 0.606 . . . . 0.0 111.044 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.238 -178.282 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.7 pp . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.616 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 35.2 mm -61.28 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.673 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -69.3 -31.35 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.98 68.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.821 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.3 p -70.0 -35.03 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.827 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.616 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.0 mpt_? -60.28 -57.87 10.96 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 174.517 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 -28.21 50.02 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 24.0 t80 -59.6 -61.65 2.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.233 . . . . 0.0 111.123 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 69.0 p-90 -74.24 -24.87 59.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.415 -174.542 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 8' ' ' ARG . 79.6 mt -67.23 -31.48 71.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.072 0.463 . . . . 0.0 111.374 178.162 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.2 p -92.23 -9.3 42.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.207 0.527 . . . . 0.0 111.187 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.141 -176.69 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.591 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 44.5 mm -56.92 -38.05 57.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.574 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -74.84 -23.35 58.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.57 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.6 -45.44 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.386 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.2 p -69.86 -34.86 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.0 mpt_? -60.53 -56.02 26.36 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.79 -30.87 60.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.6 t80 -55.11 -66.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.39 0.276 . . . . 0.0 111.406 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.7 p-90 -70.14 -30.81 68.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.223 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.47 -29.76 70.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 p -90.45 -9.5 47.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.186 0.517 . . . . 0.0 111.384 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.851 -175.514 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.7 pp . . . . . 0 CA--C 1.512 -0.512 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -61.91 -42.71 95.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.167 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -72.59 -31.38 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 0.0 110.253 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.72 70.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.166 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.0 p -68.83 -38.19 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.153 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -57.43 -61.45 2.48 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 110.589 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.69 62.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.957 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 33.4 t80 -54.53 -66.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.508 0.323 . . . . 0.0 111.483 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -68.9 -33.68 74.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.988 -174.013 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.54 -36.02 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -90.91 -15.49 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.923 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -173.606 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -57.96 -41.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.933 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -72.14 -22.02 61.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.31 9.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.4 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.0 p -69.96 -39.57 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.6 mpt_? -59.08 -59.69 5.07 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 121.301 -0.16 . . . . 0.0 111.151 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.19 -31.14 56.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.124 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.6 t80 -57.55 -60.91 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.847 -0.177 . . . . 0.0 111.237 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.9 p-90 -76.27 -30.67 57.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.388 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.45 -28.66 69.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -90.66 -9.72 45.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 111.137 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.024 -175.665 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 4' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.517 -0.318 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 3' ' ' LEU . 44.4 mm -59.11 -45.57 92.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 0.0 109.93 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -73.37 -27.34 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.908 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.55 69.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 3' ' ' LEU . 6.4 p -77.92 -38.96 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.8 mpt_? -63.14 -55.96 20.8 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.9 59.88 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.228 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 10.5 t80 -54.27 -62.63 1.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.623 0.249 . . . . 0.0 111.25 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.7 p-90 -74.76 -28.72 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.124 -174.733 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.27 -30.81 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.664 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -93.37 -28.69 16.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -169.416 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 CA--C 1.515 -0.383 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 3' ' ' LEU . 48.5 mm -57.7 -51.77 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.409 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -72.69 -19.7 61.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.719 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.98 40.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -79.85 -40.16 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.079 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.507 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.6 mpt_? -60.41 -57.95 10.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -27.73 48.91 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.473 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 4.9 t80 -59.22 -63.8 1.17 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.359 0.123 . . . . 0.0 110.818 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.0 p-90 -75.23 -28.26 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.701 -174.075 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.82 -35.63 81.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 p -87.17 -11.2 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.783 -174.887 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.4 pp . . . . . 0 CA--C 1.513 -0.475 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 3' ' ' LEU . 47.7 mm -59.29 -41.65 84.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.235 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.53 -31.15 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.492 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.78 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.068 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -68.06 -35.31 71.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.4 mpt_? -61.85 -54.33 43.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 110.536 175.051 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.31 -30.7 58.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.999 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.533 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.8 t80 -56.63 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.372 0.269 . . . . 0.0 111.465 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.537 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.7 p-90 -77.7 -32.31 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.431 -175.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.84 -27.93 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 -18.06 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -172.742 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 3' ' ' LEU . 40.4 mm -59.35 -44.79 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -67.61 -31.75 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.352 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.04 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.517 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.6 p -88.59 -39.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 9.3 mpt_? -63.78 -60.2 3.59 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.574 0.226 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -29.26 50.68 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.033 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 31.4 t80 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.575 0.35 . . . . 0.0 111.093 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.262 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.9 -49.46 74.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.381 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -77.98 -9.47 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.068 0.461 . . . . 0.0 111.469 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.821 -177.515 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.232 0.148 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.554 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 34.0 mm -57.87 -36.81 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -176.761 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -72.97 -24.3 60.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.612 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.8 -46.9 20.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.496 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -70.01 -37.06 71.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.038 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.7 mpt_? -63.7 -55.32 24.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.627 0.251 . . . . 0.0 110.425 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.29 61.41 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.977 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 15.9 t80 -54.01 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.782 0.433 . . . . 0.0 111.497 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.435 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.2 p-90 -76.27 -29.4 57.43 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.247 -175.382 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.82 -29.65 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 p -92.76 -19.48 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.912 0.387 . . . . 0.0 112.041 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -170.235 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 4' ' ' ILE . 3.1 pp . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.527 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.6 mm -56.46 -41.68 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.14 -35.87 76.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.295 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.7 -51.87 30.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.098 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.7 p -67.69 -34.79 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.437 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 8.3 mpt_? -57.44 -61.16 2.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.532 0.205 . . . . 0.0 110.738 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.69 -25.88 56.44 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.251 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 44.1 t80 -62.21 -58.74 6.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.281 . . . . 0.0 111.451 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.74 -30.53 51.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.39 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -27.82 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.713 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -92.93 -21.68 19.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.838 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.594 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.7 mm -58.14 -46.0 88.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.81 -29.03 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 0.0 110.417 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 -54.11 15.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.741 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.8 p -65.55 -35.65 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.34 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.47 -60.26 4.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.492 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.58 -32.49 53.5 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.996 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 54.7 t80 -56.9 -64.02 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.613 -0.293 . . . . 0.0 111.237 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TRP . . . . . 0.447 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 61.1 p-90 -71.94 -25.12 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.53 -174.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.06 -30.33 69.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.017 0.437 . . . . 0.0 111.488 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.1 p -91.76 -8.34 47.08 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.498 0.666 . . . . 0.0 110.66 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 11' ' ' TRP . 5.6 m-20 . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.415 -179.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.564 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.6 pp . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.596 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 39.7 mm -59.72 -45.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.245 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -70.21 -32.47 70.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.192 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.72 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.369 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 3' ' ' LEU . 3.3 p -70.23 -38.35 74.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 121.272 -0.171 . . . . 0.0 110.946 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.9 mpt_? -60.95 -55.93 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -32.44 66.55 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.695 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 37.1 t80 -54.78 -67.67 0.25 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.456 0.303 . . . . 0.0 111.052 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -68.15 -31.94 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.234 -173.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.84 -33.14 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -90.69 -9.89 45.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.473 . . . . 0.0 111.347 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.556 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.3 pp . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 3' ' ' LEU . 43.3 mm -60.29 -45.39 96.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.001 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -74.66 -26.8 60.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.14 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -49.69 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.64 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.36 -37.06 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 7.3 mpt_? -58.26 -57.94 10.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.527 0.203 . . . . 0.0 110.606 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.88 59.82 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.148 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 25.9 t80 -60.26 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.17 0.188 . . . . 0.0 111.052 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -71.6 -31.71 67.22 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.131 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -58.84 -32.87 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.635 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -17.37 24.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -171.37 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.685 0.278 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -84.89 149.47 25.64 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.182 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp -55.49 -29.34 58.61 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.803 -1.089 . . . . 0.0 113.92 -171.485 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 3' ' ' LEU . 38.0 mm -60.33 -42.46 90.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -77.07 -24.02 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.885 0.374 . . . . 0.0 110.284 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.0 48.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.9 p -73.44 -38.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.78 -57.31 13.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.01 -32.85 56.79 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.074 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.9 t80 -55.45 -62.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.142 0.177 . . . . 0.0 111.294 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.622 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.6 p-90 -75.78 -32.15 59.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.001 -0.679 . . . . 0.0 111.458 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.2 p -90.63 -8.96 48.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.426 . . . . 0.0 111.431 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.3 m-20 -99.96 -31.88 11.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.94 -175.818 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 74.9 mmtt -66.63 -24.97 66.37 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.824 0.821 . . . . 0.0 109.863 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.3 p -93.08 127.41 47.32 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.191 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -65.09 120.4 7.62 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.071 1.847 . . . . 0.0 111.277 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.35 82.17 2.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.764 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -78.48 -18.23 55.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.82 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 16.6 ptm180 -78.99 132.62 63.22 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.346 178.088 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 3.0 Cg_exo -74.73 63.6 5.74 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.731 2.287 . . . . 0.0 111.628 174.773 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.228 -176.36 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.918 0.39 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -146.67 145.56 30.06 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.21 -55.98 17.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.64 -37.6 53.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.523 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -80.79 -20.22 43.06 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.589 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.74 -43.06 48.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.056 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -73.45 -37.29 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.5 mpt_? -59.11 -59.39 5.54 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.621 0.248 . . . . 0.0 110.541 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -30.98 54.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.108 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.0 t80 -58.73 -65.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.19 . . . . 0.0 111.072 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.606 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 60.8 p-90 -69.96 -22.28 63.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.477 -173.265 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.48 -53.27 19.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.258 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -68.81 -10.63 57.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.189 0.518 . . . . 0.0 111.758 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -96.77 -7.3 34.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.429 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 48.4 mmtm -88.8 -6.2 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.999 0.904 . . . . 0.0 108.93 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.17 124.09 50.65 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 114.077 -1.42 . . . . 0.0 110.28 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.55 117.58 5.21 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.013 1.809 . . . . 0.0 111.239 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 mt -130.61 94.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.853 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -88.43 -3.19 58.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -88.91 153.25 49.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.79 27.63 0.5 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.05 2.5 . . . . 0.0 112.389 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.247 0.935 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.665 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.135 0.493 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.577 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -163.97 133.14 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.124 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -60.1 -30.61 69.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.68 -176.86 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 3' ' ' LEU . 48.6 mm -60.38 -44.86 96.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -69.87 -30.98 68.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.377 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.19 71.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.333 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.8 p -80.81 -38.39 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.043 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.24 -57.43 9.5 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.63 -27.84 55.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.094 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.6 t80 -57.7 -64.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.083 0.153 . . . . 0.0 111.09 175.747 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -74.57 -28.13 60.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.448 -173.605 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.0 -29.81 70.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 112.068 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -91.28 -8.88 47.04 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.376 0.607 . . . . 0.0 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.43 -59.75 1.65 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.945 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -69.43 -29.2 66.86 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.528 0.68 . . . . 0.0 110.169 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 t -101.17 127.08 32.74 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.618 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.77 119.32 6.29 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.049 1.833 . . . . 0.0 111.663 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.85 97.69 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.737 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -83.44 -32.27 26.16 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.359 -178.084 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 16.4 ptm180 -67.9 130.85 92.64 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.318 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 31.8 Cg_exo -58.15 114.06 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.653 2.235 . . . . 0.0 111.821 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.688 -177.873 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.684 0.278 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -163.45 124.0 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp -62.94 -28.09 69.83 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.4 mm -60.36 -50.87 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.021 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -66.02 -29.93 70.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.94 57.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.03 -37.49 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.176 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 11.0 mpt_? -59.95 -57.58 12.26 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.681 0.277 . . . . 0.0 110.393 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.13 -27.5 62.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.113 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 32.3 t80 -60.56 -56.47 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.252 . . . . 0.0 110.976 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.491 ' HB2' ' HE2' ' A' ' 15' ' ' LYS . 63.9 p-90 -79.31 -27.68 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.344 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.89 -21.56 66.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.466 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -94.42 -37.42 11.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 173.058 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -86.02 -38.66 17.65 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HE2' ' HB2' ' A' ' 11' ' ' TRP . 59.1 mttm -69.17 -5.27 21.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.763 0.792 . . . . 0.0 110.706 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.83 110.22 48.35 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.473 -176.294 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.59 126.99 16.36 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.155 1.903 . . . . 0.0 111.555 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -85.59 71.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.529 0.681 . . . . 0.0 109.324 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.9 -44.47 63.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.835 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -98.26 134.58 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.418 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -43.11 105.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.903 3.069 . . . . 0.0 113.126 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.673 -0.68 . . . . 0.0 109.834 -179.095 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.46 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 2.1 tpm_? 73.39 121.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.385 0.674 . . . . 0.0 110.976 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.521 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.6 pp -62.57 -27.97 69.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.277 -177.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.534 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -60.54 -42.52 91.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -69.77 -32.42 70.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.285 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -51.41 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.3 p -70.03 -38.93 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.381 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -61.52 -56.98 14.12 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.302 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.55 -29.63 57.86 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.015 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.2 t80 -56.39 -64.17 0.95 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.168 0.187 . . . . 0.0 110.985 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.707 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 67.5 p-90 -70.09 -32.85 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.791 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.08 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.786 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -90.75 -9.9 44.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 111.928 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -100.21 -32.99 10.62 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 28.0 mmmt -60.56 -25.93 66.54 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 109.378 175.734 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' H ' HG23 ' A' ' 16' ' ' VAL . 3.3 t -62.03 124.11 80.58 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.071 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.12 124.62 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.056 1.837 . . . . 0.0 110.449 172.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.43 81.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.329 0.585 . . . . 0.0 110.025 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -71.39 -58.02 3.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.047 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -100.93 142.76 25.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.855 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.47 88.99 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.682 2.254 . . . . 0.0 111.649 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.037 -177.73 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -141.35 140.97 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp -58.17 -24.99 60.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -176.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.645 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 32.3 mm -59.43 -46.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.958 0.408 . . . . 0.0 110.142 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -67.13 -34.12 76.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.056 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -52.7 62.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.6 p -68.97 -38.3 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.397 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.645 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.9 mpt_? -59.91 -58.76 7.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.64 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.37 -32.25 63.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.889 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 18.6 t80 -56.76 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.206 . . . . 0.0 111.313 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.507 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 57.7 p-90 -73.69 -29.0 62.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.392 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.64 -32.03 73.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.99 -10.98 42.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.073 0.464 . . . . 0.0 111.616 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -100.22 -20.13 16.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.019 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 49.6 mmtm -75.16 -6.96 52.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.634 0.731 . . . . 0.0 110.328 176.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.97 124.42 79.06 Favored Pre-proline 0 C--N 1.31 -1.151 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.943 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.57 138.59 85.22 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.839 2.359 . . . . 0.0 111.861 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.438 HG22 ' HG2' ' A' ' 20' ' ' ARG . 31.7 mt -105.69 112.01 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -57.62 -13.2 3.55 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.197 -1.365 . . . . 0.0 113.119 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 18' ' ' ILE . 5.9 ptm180 -56.07 134.2 74.34 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 110.95 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.23 100.36 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.538 2.159 . . . . 0.0 111.648 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.068 -178.475 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -148.34 171.14 16.49 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -57.98 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.51 -34.96 48.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.347 0.594 . . . . 0.0 111.163 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.47 -23.66 46.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.724 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.16 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 2.4 p -75.48 -39.52 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.466 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.3 mpt_? -63.65 -53.9 44.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.861 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.0 -28.79 61.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.993 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 8.8 t80 -57.81 -61.54 2.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.43 -0.385 . . . . 0.0 111.25 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.512 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 66.9 p-90 -73.18 -27.28 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.245 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -32.02 73.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.644 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -89.22 -9.63 50.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.373 0.606 . . . . 0.0 111.044 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -91.7 -25.05 19.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.238 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.0 mmtp -71.29 -8.33 52.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.85 0.833 . . . . 0.0 110.057 175.474 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -93.32 123.25 61.14 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.215 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.53 130.28 27.74 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.22 1.947 . . . . 0.0 111.638 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.3 mt -84.74 79.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 0.0 109.861 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -80.12 -19.96 46.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.482 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HE ' ' C ' ' A' ' 22' ' ' SER . 14.4 ptm180 -67.39 129.83 93.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.866 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 12.3 Cg_exo -68.24 -9.25 25.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.616 2.211 . . . . 0.0 112.846 -178.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.431 ' C ' ' HE ' ' A' ' 20' ' ' ARG . 12.3 t . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.494 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 121.182 0.515 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -147.21 119.88 8.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.74 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.7 pp -64.12 -30.0 71.09 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.715 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.616 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 35.2 mm -61.28 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.673 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -69.3 -31.35 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.98 68.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.821 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.3 p -70.0 -35.03 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.827 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.616 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.0 mpt_? -60.28 -57.87 10.96 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 174.517 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 -28.21 50.02 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 24.0 t80 -59.6 -61.65 2.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.233 . . . . 0.0 111.123 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 69.0 p-90 -74.24 -24.87 59.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.415 -174.542 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 8' ' ' ARG . 79.6 mt -67.23 -31.48 71.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.072 0.463 . . . . 0.0 111.374 178.162 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.2 p -92.23 -9.3 42.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.207 0.527 . . . . 0.0 111.187 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -101.05 -59.71 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.141 -176.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.0 -22.97 66.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.461 0.648 . . . . 0.0 110.274 -174.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.2 t -100.1 123.25 47.64 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.548 -174.092 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 16.6 Cg_exo -66.34 124.81 13.0 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.453 2.102 . . . . 0.0 111.633 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -99.57 88.9 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.762 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -92.23 -20.74 20.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.746 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.3 ptp180 -62.37 146.43 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.939 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 24.6 Cg_exo -63.8 84.53 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.802 2.335 . . . . 0.0 111.996 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.1 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -64.28 152.96 39.65 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -61.51 2.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -170.454 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.591 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 44.5 mm -56.92 -38.05 57.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.574 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -74.84 -23.35 58.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.57 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.6 -45.44 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.386 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.2 p -69.86 -34.86 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.0 mpt_? -60.53 -56.02 26.36 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.79 -30.87 60.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.6 t80 -55.11 -66.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.39 0.276 . . . . 0.0 111.406 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.7 p-90 -70.14 -30.81 68.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.223 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.47 -29.76 70.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 p -90.45 -9.5 47.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.186 0.517 . . . . 0.0 111.384 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -100.24 -22.21 15.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.851 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 74.8 mmtt -73.11 -8.64 56.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.742 0.782 . . . . 0.0 109.95 175.137 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.02 116.45 66.22 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.021 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.85 146.45 83.21 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.294 1.996 . . . . 0.0 111.361 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.2 mt -82.62 76.68 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.577 0.703 . . . . 0.0 110.216 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -89.14 -35.77 16.08 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.822 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.51 147.81 34.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.47 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.2 79.15 2.46 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.217 1.944 . . . . 0.0 111.19 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.199 -179.189 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.86 133.44 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.018 0.437 . . . . 0.0 110.209 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.7 pp -63.61 -27.32 69.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.557 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -61.91 -42.71 95.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.167 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -72.59 -31.38 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 0.0 110.253 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.72 70.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.166 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.0 p -68.83 -38.19 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.153 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -57.43 -61.45 2.48 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 110.589 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.69 62.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.957 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 33.4 t80 -54.53 -66.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.508 0.323 . . . . 0.0 111.483 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.597 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 61.5 p-90 -68.9 -33.68 74.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.988 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.54 -36.02 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -90.91 -15.49 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.923 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -94.84 -22.53 17.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -173.606 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 75.2 mmtt -72.85 -9.68 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 0.0 109.785 175.35 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.61 123.03 66.32 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.578 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.97 155.14 19.88 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.413 2.075 . . . . 0.0 112.154 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt 52.56 91.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.675 0.75 . . . . 0.0 111.862 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -93.82 -15.56 24.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 17.1 ptp180 -78.7 133.47 62.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.093 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 24.3 Cg_exo -62.62 133.05 40.46 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.727 2.285 . . . . 0.0 113.255 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.016 177.524 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -178.64 163.11 1.46 Allowed 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.41 -57.67 9.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.912 0.387 . . . . 0.0 111.751 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -57.96 -41.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.933 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -72.14 -22.02 61.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.31 9.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.4 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.0 p -69.96 -39.57 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.6 mpt_? -59.08 -59.69 5.07 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 121.301 -0.16 . . . . 0.0 111.151 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.19 -31.14 56.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.124 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.6 t80 -57.55 -60.91 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.847 -0.177 . . . . 0.0 111.237 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.648 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.9 p-90 -76.27 -30.67 57.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.388 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.45 -28.66 69.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -90.66 -9.72 45.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 111.137 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -100.9 -20.87 15.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.024 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 32.0 mmmt -72.77 -4.31 30.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.67 0.748 . . . . 0.0 110.258 176.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.69 110.86 48.06 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.096 -177.545 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.39 154.72 68.79 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.157 1.904 . . . . 0.0 112.078 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt 47.27 77.89 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.986 0.804 . . . . 0.0 110.581 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -66.07 -28.33 68.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.554 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 99.1 mtt180 -83.66 135.24 43.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 6.0 Cg_exo -76.55 44.1 1.34 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.585 2.19 . . . . 0.0 111.395 173.719 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.738 -0.649 . . . . 0.0 109.287 -176.496 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -86.4 146.54 26.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.387 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -56.89 -28.57 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.695 -178.563 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 3' ' ' LEU . 44.4 mm -59.11 -45.57 92.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 0.0 109.93 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -73.37 -27.34 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.908 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.55 69.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 3' ' ' LEU . 6.4 p -77.92 -38.96 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.8 mpt_? -63.14 -55.96 20.8 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.9 59.88 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.228 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 10.5 t80 -54.27 -62.63 1.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.623 0.249 . . . . 0.0 111.25 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.7 p-90 -74.76 -28.72 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.124 -174.733 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.27 -30.81 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.664 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -93.37 -28.69 16.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -88.04 -35.91 17.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.56 -10.63 57.03 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.48 0.657 . . . . 0.0 110.379 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.14 116.94 67.8 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.696 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.5 140.66 27.23 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.517 2.145 . . . . 0.0 112.142 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.7 mt -105.62 71.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.415 0.626 . . . . 0.0 109.819 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -92.28 -28.69 16.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.944 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.58 123.56 84.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.249 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -47.97 102.56 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 112.241 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.71 -177.434 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -139.21 112.63 8.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.399 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.2 pp -61.85 -29.85 70.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.005 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 3' ' ' LEU . 48.5 mm -57.7 -51.77 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.409 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -72.69 -19.7 61.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.719 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.98 40.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -79.85 -40.16 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.079 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.507 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.6 mpt_? -60.41 -57.95 10.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -27.73 48.91 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.473 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 4.9 t80 -59.22 -63.8 1.17 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.359 0.123 . . . . 0.0 110.818 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 67.0 p-90 -75.23 -28.26 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.701 -174.075 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.82 -35.63 81.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 p -87.17 -11.2 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -96.09 -20.45 18.64 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.783 -174.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.7 mmtp -75.36 -10.01 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.7 0.762 . . . . 0.0 109.75 175.735 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -86.61 115.27 61.67 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.493 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.44 163.43 36.2 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.638 2.225 . . . . 0.0 111.755 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 84.2 mt 60.13 84.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.518 0.675 . . . . 0.0 111.437 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.54 -27.11 64.87 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.959 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.81 151.62 41.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.792 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -80.07 57.07 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.76 2.307 . . . . 0.0 112.045 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.377 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.783 0.325 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -115.78 111.11 20.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.946 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.4 pp -63.24 -27.95 69.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.717 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 3' ' ' LEU . 47.7 mm -59.29 -41.65 84.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.235 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.53 -31.15 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.492 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.78 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.068 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -68.06 -35.31 71.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.4 mpt_? -61.85 -54.33 43.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 110.536 175.051 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.31 -30.7 58.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.999 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.533 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.8 t80 -56.63 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.372 0.269 . . . . 0.0 111.465 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.558 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.7 p-90 -77.7 -32.31 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.431 -175.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.84 -27.93 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 -18.06 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -100.23 -28.64 12.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 35.2 mmtp -68.64 -10.2 54.64 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.554 0.692 . . . . 0.0 110.203 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.87 111.28 20.3 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.63 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -79.83 117.74 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.812 1.675 . . . . 0.0 111.066 177.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.0 mt -128.16 81.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -94.26 -17.88 22.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.968 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.647 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -84.98 155.46 60.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.308 174.934 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.92 101.74 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.535 2.157 . . . . 0.0 111.956 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 C--O 1.253 1.258 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.608 179.594 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.038 0.446 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -150.94 121.25 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp -63.57 -29.88 71.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 3' ' ' LEU . 40.4 mm -59.35 -44.79 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -67.61 -31.75 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.352 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.04 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.517 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.6 p -88.59 -39.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 9.3 mpt_? -63.78 -60.2 3.59 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.574 0.226 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -29.26 50.68 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.033 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 31.4 t80 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.575 0.35 . . . . 0.0 111.093 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.597 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.8 p-90 -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.262 -173.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.9 -49.46 74.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.381 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -77.98 -9.47 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.068 0.461 . . . . 0.0 111.469 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 5.4 m-20 -89.21 -32.31 17.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.821 -177.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.8 mmtp -61.55 -30.72 70.83 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.839 0.828 . . . . 0.0 109.278 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.57 130.7 92.27 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.426 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -60.35 119.35 6.49 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.224 1.949 . . . . 0.0 112.04 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.59 88.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.36 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -87.5 -23.3 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.093 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -87.04 152.43 53.27 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.462 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.09 112.47 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.383 2.055 . . . . 0.0 112.317 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.327 179.665 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -108.09 166.25 10.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 tt -51.16 -61.22 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -174.576 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.554 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 34.0 mm -57.87 -36.81 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -176.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -72.97 -24.3 60.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.612 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.8 -46.9 20.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.496 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -70.01 -37.06 71.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.038 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.7 mpt_? -63.7 -55.32 24.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.627 0.251 . . . . 0.0 110.425 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.29 61.41 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.977 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 15.9 t80 -54.01 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.782 0.433 . . . . 0.0 111.497 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.435 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.2 p-90 -76.27 -29.4 57.43 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.247 -175.382 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.82 -29.65 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 p -92.76 -19.48 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.912 0.387 . . . . 0.0 112.041 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.11 -35.39 9.69 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.38 -3.0 21.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.769 0.795 . . . . 0.0 110.716 -177.232 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -91.95 115.35 64.46 Favored Pre-proline 0 C--N 1.307 -1.277 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.919 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -69.37 119.76 6.69 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.263 1.975 . . . . 0.0 111.062 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.06 94.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.065 0.46 . . . . 0.0 110.019 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -82.72 -19.32 38.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.58 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -81.61 155.05 71.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.0 88.23 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.559 2.172 . . . . 0.0 111.89 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.585 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 70.07 123.53 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 O-C-N 123.934 0.771 . . . . 0.0 110.661 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 4' ' ' ILE . 3.1 pp -60.32 -26.55 66.63 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.952 -177.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.527 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.6 mm -56.46 -41.68 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.14 -35.87 76.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.295 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.7 -51.87 30.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.098 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.7 p -67.69 -34.79 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.437 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 8.3 mpt_? -57.44 -61.16 2.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.532 0.205 . . . . 0.0 110.738 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.69 -25.88 56.44 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.251 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 44.1 t80 -62.21 -58.74 6.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.281 . . . . 0.0 111.451 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.45 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 64.4 p-90 -77.74 -30.53 51.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.39 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -27.82 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.713 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -92.93 -21.68 19.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -95.81 -32.68 12.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.6 mmtp -73.51 -11.83 60.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.585 0.707 . . . . 0.0 110.44 -178.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 16' ' ' VAL . 3.4 t -68.36 130.18 92.4 Favored Pre-proline 0 C--N 1.313 -0.993 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.171 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.46 145.49 8.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.654 2.903 . . . . 0.0 113.661 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.59 HG22 ' H ' ' A' ' 20' ' ' ARG . 30.9 mt -137.87 127.72 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -55.54 -22.36 21.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.836 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' H ' HG22 ' A' ' 18' ' ' ILE . 46.9 mtp180 -95.71 132.17 27.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.95 105.96 0.18 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.74 2.293 . . . . 0.0 111.852 177.372 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.561 -176.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -114.96 134.82 54.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.043 0.449 . . . . 0.0 110.152 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.0 OUTLIER -57.9 -26.23 61.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.813 -178.262 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.594 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.7 mm -58.14 -46.0 88.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.81 -29.03 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 0.0 110.417 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 -54.11 15.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.741 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.8 p -65.55 -35.65 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.34 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.47 -60.26 4.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.492 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.58 -32.49 53.5 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.996 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 54.7 t80 -56.9 -64.02 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.613 -0.293 . . . . 0.0 111.237 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 61.1 p-90 -71.94 -25.12 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.53 -174.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.06 -30.33 69.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.017 0.437 . . . . 0.0 111.488 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.1 p -91.76 -8.34 47.08 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.498 0.666 . . . . 0.0 110.66 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 11' ' ' TRP . 5.6 m-20 -93.67 -63.16 1.23 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.415 -179.087 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -69.42 -25.99 64.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.969 -173.576 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.43 123.19 47.22 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.358 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -64.56 125.07 14.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.342 2.028 . . . . 0.0 111.449 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.8 mt -91.03 76.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.414 0.626 . . . . 0.0 110.142 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.63 -30.78 46.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.43 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -85.76 134.88 38.7 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.86 105.72 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.692 2.261 . . . . 0.0 111.09 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.529 -176.465 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' LEU . . . . . 0.471 ' HG ' ' H ' ' A' ' 2' ' ' ARG . 18.5 tp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' H ' ' HG ' ' A' ' 1' ' ' LEU . 0.8 OUTLIER -50.72 137.94 19.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.689 177.752 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.564 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.6 pp -60.39 -26.71 66.86 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.272 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.596 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 39.7 mm -59.72 -45.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.245 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -70.21 -32.47 70.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.192 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.72 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.369 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 3' ' ' LEU . 3.3 p -70.23 -38.35 74.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 121.272 -0.171 . . . . 0.0 110.946 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.9 mpt_? -60.95 -55.93 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -32.44 66.55 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.695 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 37.1 t80 -54.78 -67.67 0.25 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.456 0.303 . . . . 0.0 111.052 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.614 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 61.5 p-90 -68.15 -31.94 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.234 -173.66 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.84 -33.14 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -90.69 -9.89 45.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.473 . . . . 0.0 111.347 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -36.59 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.556 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 31.8 mmmt -63.2 -17.54 62.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.513 0.673 . . . . 0.0 109.764 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 t -86.41 117.19 68.28 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.177 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -71.02 117.94 5.43 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.766 1.644 . . . . 0.0 111.468 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.93 78.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.519 . . . . 0.0 109.837 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -95.33 -21.58 18.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.878 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -97.32 148.03 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.882 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -83.6 121.95 3.04 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.547 2.164 . . . . 0.0 111.598 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.429 -179.514 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -141.07 135.39 30.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.3 pp -58.44 -27.76 64.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.396 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 3' ' ' LEU . 43.3 mm -60.29 -45.39 96.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.001 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -74.66 -26.8 60.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.14 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -49.69 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.64 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.36 -37.06 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 7.3 mpt_? -58.26 -57.94 10.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.527 0.203 . . . . 0.0 110.606 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.88 59.82 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.148 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 25.9 t80 -60.26 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.17 0.188 . . . . 0.0 111.052 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.1 p-90 -71.6 -31.71 67.22 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.131 -173.564 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -58.84 -32.87 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.635 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -17.37 24.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -97.04 -29.3 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -171.37 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 1.4 mmmp? -73.04 -12.24 60.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.115 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -73.91 125.06 90.59 Favored Pre-proline 0 C--N 1.311 -1.074 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.496 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 140.86 94.31 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.383 2.055 . . . . 0.0 111.267 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.6 mt -84.57 79.27 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.695 0.759 . . . . 0.0 109.792 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.12 -3.84 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -87.71 122.99 70.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.76 124.88 14.88 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.8 2.333 . . . . 0.0 111.969 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.964 179.596 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp . . . . . 0 CA--C 1.514 -0.429 0 N-CA-C 113.92 1.082 . . . . 0.0 113.92 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 3' ' ' LEU . 38.0 mm -60.33 -42.46 90.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -77.07 -24.02 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.885 0.374 . . . . 0.0 110.284 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.0 48.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.9 p -73.44 -38.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.78 -57.31 13.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.01 -32.85 56.79 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.074 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.9 t80 -55.45 -62.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.142 0.177 . . . . 0.0 111.294 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.419 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.6 p-90 -75.78 -32.15 59.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.001 -0.679 . . . . 0.0 111.458 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.2 p -90.63 -8.96 48.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.426 . . . . 0.0 111.431 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.322 -0.611 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.94 -175.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.234 0.249 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.64 -37.6 53.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.523 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -80.79 -20.22 43.06 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.589 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.74 -43.06 48.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.056 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -73.45 -37.29 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.5 mpt_? -59.11 -59.39 5.54 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.621 0.248 . . . . 0.0 110.541 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -30.98 54.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.108 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.0 t80 -58.73 -65.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.19 . . . . 0.0 111.072 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.428 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 60.8 p-90 -69.96 -22.28 63.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.477 -173.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.48 -53.27 19.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.258 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -68.81 -10.63 57.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.189 0.518 . . . . 0.0 111.758 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 . . . . . 0 C--N 1.321 -0.656 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.429 -177.465 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER . . . . . 0 CA--C 1.516 -0.348 0 N-CA-C 112.68 0.622 . . . . 0.0 112.68 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 3' ' ' LEU . 48.6 mm -60.38 -44.86 96.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -69.87 -30.98 68.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.377 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.19 71.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.333 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.8 p -80.81 -38.39 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.043 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.24 -57.43 9.5 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.63 -27.84 55.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.094 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.6 t80 -57.7 -64.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.083 0.153 . . . . 0.0 111.09 175.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -74.57 -28.13 60.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.448 -173.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.0 -29.81 70.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 112.068 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -91.28 -8.88 47.04 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.376 0.607 . . . . 0.0 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 C--N 1.32 -0.693 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.945 -177.65 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp . . . . . 0 CA--C 1.51 -0.59 0 N-CA-C 111.662 0.245 . . . . 0.0 111.662 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.4 mm -60.36 -50.87 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.021 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -66.02 -29.93 70.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.94 57.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.03 -37.49 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.176 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 11.0 mpt_? -59.95 -57.58 12.26 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.681 0.277 . . . . 0.0 110.393 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.13 -27.5 62.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.113 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 32.3 t80 -60.56 -56.47 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.252 . . . . 0.0 110.976 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.439 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.9 p-90 -79.31 -27.68 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.344 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.89 -21.56 66.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.466 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -94.42 -37.42 11.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 173.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 . . . . . 0 N--CA 1.466 0.357 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.447 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.521 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.6 pp . . . . . 0 CA--C 1.511 -0.535 0 N-CA-C 112.277 0.473 . . . . 0.0 112.277 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.534 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -60.54 -42.52 91.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -69.77 -32.42 70.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.285 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -51.41 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.3 p -70.03 -38.93 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.381 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -61.52 -56.98 14.12 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.302 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.55 -29.63 57.86 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.015 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.2 t80 -56.39 -64.17 0.95 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.168 0.187 . . . . 0.0 110.985 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.401 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.5 p-90 -70.09 -32.85 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.791 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.08 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.786 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -90.75 -9.9 44.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 111.928 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 . . . . . 0 C--N 1.323 -0.552 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.575 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp . . . . . 0 CA--C 1.513 -0.455 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.645 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 32.3 mm -59.43 -46.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.958 0.408 . . . . 0.0 110.142 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -67.13 -34.12 76.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.056 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -52.7 62.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.6 p -68.97 -38.3 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.397 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.645 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.9 mpt_? -59.91 -58.76 7.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.64 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.37 -32.25 63.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.889 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 18.6 t80 -56.76 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.206 . . . . 0.0 111.313 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 57.7 p-90 -73.69 -29.0 62.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.392 -173.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.64 -32.03 73.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.99 -10.98 42.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.073 0.464 . . . . 0.0 111.616 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 . . . . . 0 C--N 1.322 -0.624 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.019 -176.162 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.127 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.51 -34.96 48.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.347 0.594 . . . . 0.0 111.163 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.47 -23.66 46.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.724 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.16 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 2.4 p -75.48 -39.52 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.466 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.3 mpt_? -63.65 -53.9 44.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.861 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.0 -28.79 61.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.993 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 8.8 t80 -57.81 -61.54 2.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.43 -0.385 . . . . 0.0 111.25 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.466 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 66.9 p-90 -73.18 -27.28 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.245 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -32.02 73.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.644 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -89.22 -9.63 50.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.373 0.606 . . . . 0.0 111.044 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.321 -0.643 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.238 -178.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.7 pp . . . . . 0 CA--C 1.511 -0.547 0 N-CA-C 111.715 0.265 . . . . 0.0 111.715 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.616 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 35.2 mm -61.28 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -69.3 -31.35 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.98 68.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.821 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.3 p -70.0 -35.03 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.827 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.616 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.0 mpt_? -60.28 -57.87 10.96 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 174.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 -28.21 50.02 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 24.0 t80 -59.6 -61.65 2.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.233 . . . . 0.0 111.123 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 69.0 p-90 -74.24 -24.87 59.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.415 -174.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 8' ' ' ARG . 79.6 mt -67.23 -31.48 71.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.072 0.463 . . . . 0.0 111.374 178.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.2 p -92.23 -9.3 42.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.207 0.527 . . . . 0.0 111.187 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.141 -176.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.462 0.13 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.591 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 44.5 mm -56.92 -38.05 57.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.574 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -74.84 -23.35 58.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.57 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.6 -45.44 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.386 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.2 p -69.86 -34.86 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.0 mpt_? -60.53 -56.02 26.36 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.79 -30.87 60.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.6 t80 -55.11 -66.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.39 0.276 . . . . 0.0 111.406 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.455 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 63.7 p-90 -70.14 -30.81 68.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.223 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.47 -29.76 70.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 p -90.45 -9.5 47.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.186 0.517 . . . . 0.0 111.384 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 . . . . . 0 C--N 1.322 -0.606 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.851 -175.514 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.7 pp . . . . . 0 CA--C 1.512 -0.512 0 N-CA-C 112.557 0.577 . . . . 0.0 112.557 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -61.91 -42.71 95.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.167 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -72.59 -31.38 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 0.0 110.253 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.72 70.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.166 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.0 p -68.83 -38.19 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.153 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -57.43 -61.45 2.48 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 110.589 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.69 62.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.957 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 33.4 t80 -54.53 -66.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.508 0.323 . . . . 0.0 111.483 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -68.9 -33.68 74.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.988 -174.013 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.54 -36.02 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -90.91 -15.49 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.923 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 . . . . . 0 C--N 1.322 -0.597 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -173.606 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.912 0.387 . . . . 0.0 111.751 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -57.96 -41.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.933 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -72.14 -22.02 61.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.31 9.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.4 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.0 p -69.96 -39.57 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.6 mpt_? -59.08 -59.69 5.07 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 121.301 -0.16 . . . . 0.0 111.151 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.19 -31.14 56.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.124 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.6 t80 -57.55 -60.91 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.847 -0.177 . . . . 0.0 111.237 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.463 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.9 p-90 -76.27 -30.67 57.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.388 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.45 -28.66 69.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -90.66 -9.72 45.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 111.137 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 . . . . . 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.024 -175.665 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 4' ' ' ILE . 0.9 OUTLIER . . . . . 0 CA--C 1.517 -0.318 0 N-CA-C 112.695 0.628 . . . . 0.0 112.695 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 3' ' ' LEU . 44.4 mm -59.11 -45.57 92.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 0.0 109.93 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -73.37 -27.34 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.908 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.55 69.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 3' ' ' LEU . 6.4 p -77.92 -38.96 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.8 mpt_? -63.14 -55.96 20.8 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.9 59.88 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.228 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 10.5 t80 -54.27 -62.63 1.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.623 0.249 . . . . 0.0 111.25 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.404 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.7 p-90 -74.76 -28.72 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.124 -174.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.27 -30.81 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.664 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -93.37 -28.69 16.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 . . . . . 0 N--CA 1.468 0.452 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -169.416 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.2 pp . . . . . 0 CA--C 1.515 -0.383 0 N-CA-C 112.005 0.372 . . . . 0.0 112.005 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 3' ' ' LEU . 48.5 mm -57.7 -51.77 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.409 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -72.69 -19.7 61.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.719 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.98 40.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.482 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -79.85 -40.16 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.079 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.507 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.6 mpt_? -60.41 -57.95 10.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -27.73 48.91 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.473 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 4.9 t80 -59.22 -63.8 1.17 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.359 0.123 . . . . 0.0 110.818 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.43 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.0 p-90 -75.23 -28.26 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.701 -174.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.82 -35.63 81.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 p -87.17 -11.2 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 . . . . . 0 C--N 1.321 -0.674 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.783 -174.887 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.4 pp . . . . . 0 CA--C 1.513 -0.475 0 N-CA-C 111.717 0.265 . . . . 0.0 111.717 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 3' ' ' LEU . 47.7 mm -59.29 -41.65 84.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.235 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.53 -31.15 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.492 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.78 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.068 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -68.06 -35.31 71.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.4 mpt_? -61.85 -54.33 43.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 110.536 175.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.31 -30.7 58.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.999 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.533 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.8 t80 -56.63 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.372 0.269 . . . . 0.0 111.465 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.537 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.7 p-90 -77.7 -32.31 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.431 -175.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.84 -27.93 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 -18.06 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 . . . . . 0 C--N 1.327 -0.39 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -172.742 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp . . . . . 0 CA--C 1.514 -0.419 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 3' ' ' LEU . 40.4 mm -59.35 -44.79 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -67.61 -31.75 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.352 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.04 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.517 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.6 p -88.59 -39.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 9.3 mpt_? -63.78 -60.2 3.59 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.574 0.226 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -29.26 50.68 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.033 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 31.4 t80 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.575 0.35 . . . . 0.0 111.093 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 65.8 p-90 -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.262 -173.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.9 -49.46 74.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.381 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -77.98 -9.47 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.068 0.461 . . . . 0.0 111.469 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.555 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.821 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 tt . . . . . 0 C--O 1.232 0.148 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.554 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 34.0 mm -57.87 -36.81 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -176.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -72.97 -24.3 60.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.612 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.8 -46.9 20.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.496 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -70.01 -37.06 71.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.038 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.7 mpt_? -63.7 -55.32 24.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.627 0.251 . . . . 0.0 110.425 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.29 61.41 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.977 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 15.9 t80 -54.01 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.782 0.433 . . . . 0.0 111.497 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.435 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.2 p-90 -76.27 -29.4 57.43 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.247 -175.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.82 -29.65 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 p -92.76 -19.48 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.912 0.387 . . . . 0.0 112.041 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 . . . . . 0 C--N 1.327 -0.372 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -170.235 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 4' ' ' ILE . 3.1 pp . . . . . 0 CA--C 1.509 -0.599 0 N-CA-C 111.952 0.352 . . . . 0.0 111.952 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.527 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.6 mm -56.46 -41.68 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.14 -35.87 76.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.295 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.7 -51.87 30.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.098 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.7 p -67.69 -34.79 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.437 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 8.3 mpt_? -57.44 -61.16 2.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.532 0.205 . . . . 0.0 110.738 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.69 -25.88 56.44 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.251 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 44.1 t80 -62.21 -58.74 6.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.281 . . . . 0.0 111.451 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.4 p-90 -77.74 -30.53 51.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.39 -175.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -27.82 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.713 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -92.93 -21.68 19.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 . . . . . 0 C--N 1.326 -0.425 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.838 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.0 OUTLIER . . . . . 0 CA--C 1.516 -0.332 0 N-CA-C 112.813 0.671 . . . . 0.0 112.813 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.594 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.7 mm -58.14 -46.0 88.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.81 -29.03 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 0.0 110.417 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 -54.11 15.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.741 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.8 p -65.55 -35.65 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.34 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.47 -60.26 4.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.492 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.58 -32.49 53.5 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.996 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 54.7 t80 -56.9 -64.02 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.613 -0.293 . . . . 0.0 111.237 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . 0.447 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 61.1 p-90 -71.94 -25.12 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.53 -174.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.06 -30.33 69.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.017 0.437 . . . . 0.0 111.488 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.1 p -91.76 -8.34 47.08 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.498 0.666 . . . . 0.0 110.66 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.327 -0.392 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.415 -179.087 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.564 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.6 pp . . . . . 0 CA--C 1.512 -0.51 0 N-CA-C 112.272 0.471 . . . . 0.0 112.272 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.596 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 39.7 mm -59.72 -45.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.245 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -70.21 -32.47 70.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.192 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.72 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.369 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 3' ' ' LEU . 3.3 p -70.23 -38.35 74.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 121.272 -0.171 . . . . 0.0 110.946 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.9 mpt_? -60.95 -55.93 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -32.44 66.55 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.695 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 37.1 t80 -54.78 -67.67 0.25 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.456 0.303 . . . . 0.0 111.052 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -68.15 -31.94 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.234 -173.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.84 -33.14 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -90.69 -9.89 45.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.473 . . . . 0.0 111.347 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 . . . . . 0 C--N 1.324 -0.501 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.556 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.3 pp . . . . . 0 CA--C 1.513 -0.471 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 3' ' ' LEU . 43.3 mm -60.29 -45.39 96.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.001 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -74.66 -26.8 60.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.14 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -49.69 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.64 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.36 -37.06 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 7.3 mpt_? -58.26 -57.94 10.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.527 0.203 . . . . 0.0 110.606 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.88 59.82 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.148 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 25.9 t80 -60.26 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.17 0.188 . . . . 0.0 111.052 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 63.1 p-90 -71.6 -31.71 67.22 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.131 -173.564 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -58.84 -32.87 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.635 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -17.37 24.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 . . . . . 0 C--N 1.326 -0.454 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -171.37 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 60.9 tp . . . . . 0 N--CA 1.48 1.033 0 CA-C-O 120.685 0.278 . . . . 0.0 110.689 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 26.6 ttp180 -84.89 149.47 25.64 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 121.156 0.503 . . . . 0.0 110.182 -179.725 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp -55.49 -29.34 58.61 Favored 'General case' 0 CA--C 1.514 -0.429 0 CA-C-N 114.803 -1.089 . . . . 0.0 113.92 -171.485 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 3' ' ' LEU . 38.0 mm -60.33 -42.46 90.83 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.645 0 CA-C-O 120.814 0.34 . . . . 0.0 110.286 178.255 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -77.07 -24.02 51.93 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.885 0.374 . . . . 0.0 110.284 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.88 -48.0 48.84 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.424 178.09 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.483 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.9 p -73.44 -38.31 52.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.053 -179.42 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.532 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.78 -57.31 13.45 Favored 'General case' 0 CA--C 1.518 -0.258 0 N-CA-C 110.315 -0.254 . . . . 0.0 110.315 175.365 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.01 -32.85 56.79 Favored Glycine 0 N--CA 1.449 -0.444 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.074 179.265 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.461 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.9 t80 -55.45 -62.23 1.82 Allowed 'General case' 0 C--N 1.33 -0.257 0 C-N-CA 122.142 0.177 . . . . 0.0 111.294 177.15 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.622 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.6 p-90 -75.78 -32.15 59.78 Favored 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 120.001 -0.679 . . . . 0.0 111.458 -174.571 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 92.7 mt -60.32 -30.87 69.78 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 111.901 0.334 . . . . 0.0 111.901 178.482 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 32.2 p -90.63 -8.96 48.68 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.996 0.426 . . . . 0.0 111.431 178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -99.96 -31.88 11.25 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.94 -175.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.622 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 74.9 mmtt -66.63 -24.97 66.37 Favored 'General case' 0 N--CA 1.468 0.431 0 CA-C-O 121.824 0.821 . . . . 0.0 109.863 177.681 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.3 p -93.08 127.41 47.32 Favored Pre-proline 0 C--N 1.314 -0.97 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.191 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 17.1 Cg_exo -65.09 120.4 7.62 Favored 'Trans proline' 0 N--CA 1.458 -0.562 0 C-N-CA 122.071 1.847 . . . . 0.0 111.277 174.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 49.6 mt -89.35 82.17 2.01 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.878 0 CA-C-N 115.714 -0.676 . . . . 0.0 109.764 -177.105 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -78.48 -18.23 55.13 Favored 'General case' 0 C--N 1.321 -0.642 0 CA-C-N 115.357 -0.838 . . . . 0.0 110.82 -179.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.421 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 16.6 ptm180 -78.99 132.62 63.22 Favored Pre-proline 0 C--N 1.327 -0.393 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.346 178.088 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.421 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 3.0 Cg_exo -74.73 63.6 5.74 Favored 'Trans proline' 0 C--O 1.234 0.321 0 C-N-CA 122.731 2.287 . . . . 0.0 111.628 174.773 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 50.4 p . . . . . 0 C--O 1.246 0.92 0 CA-C-O 118.13 -0.938 . . . . 0.0 111.228 -176.36 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.48 1.053 0 CA-C-O 120.918 0.39 . . . . 0.0 110.539 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 -146.67 145.56 30.06 Favored 'General case' 0 CA--C 1.515 -0.39 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -52.21 -55.98 17.63 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 112.093 0.405 . . . . 0.0 112.093 -175.184 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.7 mm -56.64 -37.6 53.33 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 CA-C-N 115.756 -0.657 . . . . 0.0 111.523 -176.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -80.79 -20.22 43.06 Favored 'General case' 0 C--N 1.324 -0.54 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.589 179.408 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -75.74 -43.06 48.69 Favored 'General case' 0 N--CA 1.451 -0.408 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.056 178.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.465 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -73.45 -37.29 50.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.867 178.774 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.428 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.5 mpt_? -59.11 -59.39 5.54 Favored 'General case' 0 CA--C 1.52 -0.199 0 CA-C-O 120.621 0.248 . . . . 0.0 110.541 174.836 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -30.98 54.91 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 121.129 -0.557 . . . . 0.0 112.108 179.037 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.465 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.0 t80 -58.73 -65.52 0.65 Allowed 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.82 -0.19 . . . . 0.0 111.072 176.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.606 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 60.8 p-90 -69.96 -22.28 63.18 Favored 'General case' 0 C--N 1.33 -0.241 0 C-N-CA 120.353 -0.539 . . . . 0.0 111.477 -173.265 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 83.1 mt -69.48 -53.27 19.98 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.258 176.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 37.0 p -68.81 -10.63 57.83 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-O 121.189 0.518 . . . . 0.0 111.758 -176.664 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.4 m-80 -96.77 -7.3 34.12 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.832 -0.622 . . . . 0.0 111.429 -177.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.606 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 48.4 mmtm -88.8 -6.2 57.54 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.999 0.904 . . . . 0.0 108.93 173.349 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.1 t -97.17 124.09 50.65 Favored Pre-proline 0 C--N 1.313 -0.986 0 CA-C-N 114.077 -1.42 . . . . 0.0 110.28 -174.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 39.8 Cg_endo -70.55 117.58 5.21 Favored 'Trans proline' 0 N--CA 1.458 -0.574 0 C-N-CA 122.013 1.809 . . . . 0.0 111.239 176.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 42.9 mt -130.61 94.44 2.15 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.976 -0.556 . . . . 0.0 109.853 -179.025 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 48.4 mmtm -88.43 -3.19 58.87 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.992 -177.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 98.3 mtt180 -88.91 153.25 49.41 Favored Pre-proline 0 C--N 1.324 -0.505 0 CA-C-N 115.883 -0.599 . . . . 0.0 109.86 179.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 5.4 Cg_exo -78.79 27.63 0.5 Allowed 'Trans proline' 0 C--N 1.35 0.608 0 C-N-CA 123.05 2.5 . . . . 0.0 112.389 -178.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 33.5 t . . . . . 0 C--O 1.247 0.935 0 N-CA-C 109.204 -0.665 . . . . 0.0 109.204 -178.665 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 92.2 mt . . . . . 0 N--CA 1.481 1.111 0 CA-C-O 121.135 0.493 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.577 ' NE ' ' HA ' ' A' ' 2' ' ' ARG . 0.4 OUTLIER -163.97 133.14 3.86 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.124 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.514 HD12 ' H ' ' A' ' 4' ' ' ILE . 0.4 OUTLIER -60.1 -30.61 69.37 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.487 -0.779 . . . . 0.0 112.68 -176.86 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.514 ' H ' HD12 ' A' ' 3' ' ' LEU . 48.6 mm -60.38 -44.86 96.96 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.595 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 176.61 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 -69.87 -30.98 68.58 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.377 177.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -70.17 -43.19 71.32 Favored 'General case' 0 N--CA 1.455 -0.208 0 CA-C-N 116.059 -0.519 . . . . 0.0 111.333 -177.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.485 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.8 p -80.81 -38.39 17.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.594 -0.275 . . . . 0.0 111.043 -179.006 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -64.24 -57.43 9.5 Favored 'General case' 0 CA--C 1.519 -0.214 0 CA-C-O 120.548 0.213 . . . . 0.0 110.434 177.385 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.63 -27.84 55.52 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 121.144 -0.55 . . . . 0.0 112.094 179.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.6 t80 -57.7 -64.6 0.84 Allowed 'General case' 0 C--N 1.326 -0.416 0 C-N-CA 122.083 0.153 . . . . 0.0 111.09 175.747 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . . . . . . . . . 64.7 p-90 -74.57 -28.13 60.8 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.186 -0.606 . . . . 0.0 111.448 -173.605 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.0 mt -66.0 -29.81 70.25 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 121.017 0.437 . . . . 0.0 112.068 179.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 41.5 p -91.28 -8.88 47.04 Favored 'General case' 0 C--N 1.312 -1.037 0 CA-C-O 121.376 0.607 . . . . 0.0 111.02 -179.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -101.43 -59.75 1.65 Allowed 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.33 -0.85 . . . . 0.0 111.945 -177.65 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 73.3 mmtt -69.43 -29.2 66.86 Favored 'General case' 0 CA--C 1.515 -0.393 0 CA-C-O 121.528 0.68 . . . . 0.0 110.169 -176.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 t -101.17 127.08 32.74 Favored Pre-proline 0 C--N 1.314 -0.976 0 CA-C-N 114.779 -1.1 . . . . 0.0 109.618 -177.163 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 7.7 Cg_exo -69.77 119.32 6.29 Favored 'Trans proline' 0 N--CA 1.46 -0.451 0 C-N-CA 122.049 1.833 . . . . 0.0 111.663 178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 36.8 mt -129.85 97.69 3.52 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 CA-C-N 115.828 -0.623 . . . . 0.0 109.737 -178.694 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.436 ' N ' ' HD3' ' A' ' 19' ' ' LYS . 0.0 OUTLIER -83.44 -32.27 26.16 Favored 'General case' 0 C--N 1.319 -0.754 0 CA-C-N 115.755 -0.657 . . . . 0.0 110.359 -178.084 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.4 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 16.4 ptm180 -67.9 130.85 92.64 Favored Pre-proline 0 C--N 1.321 -0.632 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.318 179.38 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 31.8 Cg_exo -58.15 114.06 1.8 Allowed 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.653 2.235 . . . . 0.0 111.821 178.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 15.0 m . . . . . 0 C--O 1.249 1.063 0 CA-C-O 118.231 -0.89 . . . . 0.0 110.688 -177.873 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 84.1 mt . . . . . 0 N--CA 1.48 1.026 0 CA-C-O 120.684 0.278 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.1 tpm_? -163.45 124.0 2.27 Favored 'General case' 0 C--N 1.328 -0.351 0 N-CA-C 109.804 -0.443 . . . . 0.0 109.804 -178.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp -62.94 -28.09 69.83 Favored 'General case' 0 CA--C 1.51 -0.59 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.662 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.651 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.4 mm -60.36 -50.87 78.58 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.699 0 C-N-CA 120.586 -0.446 . . . . 0.0 110.021 177.237 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -66.02 -29.93 70.37 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-O 120.74 0.305 . . . . 0.0 110.601 176.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.32 -51.94 57.32 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.712 179.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.52 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.03 -37.49 67.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.629 -0.259 . . . . 0.0 111.176 -179.717 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.651 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 11.0 mpt_? -59.95 -57.58 12.26 Favored 'General case' 0 CA--C 1.521 -0.172 0 CA-C-O 120.681 0.277 . . . . 0.0 110.393 177.005 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.13 -27.5 62.68 Favored Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 121.041 -0.599 . . . . 0.0 112.113 178.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.497 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 32.3 t80 -60.56 -56.47 20.91 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.696 -0.252 . . . . 0.0 110.976 176.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.491 ' HB2' ' HE2' ' A' ' 15' ' ' LYS . 63.9 p-90 -79.31 -27.68 42.15 Favored 'General case' 0 C--N 1.325 -0.486 0 C-N-CA 119.971 -0.692 . . . . 0.0 111.344 -175.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.9 mt -65.89 -21.56 66.46 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.466 177.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 18.3 p -94.42 -37.42 11.45 Favored 'General case' 0 C--N 1.322 -0.621 0 N-CA-C 112.026 0.38 . . . . 0.0 112.026 173.058 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 15.6 m-80 -86.02 -38.66 17.65 Favored 'General case' 0 N--CA 1.466 0.357 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -168.447 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.491 ' HE2' ' HB2' ' A' ' 11' ' ' TRP . 59.1 mttm -69.17 -5.27 21.47 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-O 121.763 0.792 . . . . 0.0 110.706 -179.571 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 t -94.83 110.22 48.35 Favored Pre-proline 0 C--N 1.306 -1.321 0 CA-C-N 114.595 -1.184 . . . . 0.0 110.473 -176.294 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 33.8 Cg_endo -66.59 126.99 16.36 Favored 'Trans proline' 0 N--CA 1.459 -0.535 0 C-N-CA 122.155 1.903 . . . . 0.0 111.555 179.391 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.0 mt -85.59 71.36 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-O 121.529 0.681 . . . . 0.0 109.324 177.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 54.0 tttp -71.9 -44.47 63.66 Favored 'General case' 0 N--CA 1.447 -0.596 0 CA-C-N 115.347 -0.842 . . . . 0.0 109.835 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 81.1 mtp180 -98.26 134.58 21.85 Favored Pre-proline 0 C--N 1.321 -0.659 0 CA-C-N 115.396 -0.82 . . . . 0.0 109.418 176.512 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 82.9 Cg_exo -43.11 105.48 0.06 OUTLIER 'Trans proline' 0 C--N 1.346 0.411 0 C-N-CA 123.903 3.069 . . . . 0.0 113.126 -178.301 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 C--O 1.246 0.876 0 CA-C-O 118.673 -0.68 . . . . 0.0 109.834 -179.095 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.3 pp . . . . . 0 N--CA 1.479 1.015 0 N-CA-C 111.582 0.215 . . . . 0.0 111.582 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.46 ' HA ' ' HE ' ' A' ' 2' ' ' ARG . 2.1 tpm_? 73.39 121.37 0.04 OUTLIER 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.385 0.674 . . . . 0.0 110.976 -178.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.521 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.6 pp -62.57 -27.97 69.55 Favored 'General case' 0 CA--C 1.511 -0.535 0 CA-C-N 115.887 -0.597 . . . . 0.0 112.277 -177.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.534 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -60.54 -42.52 91.75 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.7 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 176.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -69.77 -32.42 70.91 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.285 177.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -63.92 -51.41 64.59 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.762 179.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.521 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.3 p -70.03 -38.93 76.59 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.312 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.381 -179.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.534 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -61.52 -56.98 14.12 Favored 'General case' 0 CA--C 1.52 -0.192 0 C-N-CA 120.959 -0.296 . . . . 0.0 110.302 176.308 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.55 -29.63 57.86 Favored Glycine 0 N--CA 1.449 -0.443 0 C-N-CA 121.174 -0.536 . . . . 0.0 112.015 178.332 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 11.2 t80 -56.39 -64.17 0.95 Allowed 'General case' 0 N--CA 1.454 -0.243 0 C-N-CA 122.168 0.187 . . . . 0.0 110.985 177.127 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.707 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 67.5 p-90 -70.09 -32.85 71.11 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 119.871 -0.732 . . . . 0.0 110.791 -175.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.4 mt -59.08 -35.09 72.78 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.447 -0.342 . . . . 0.0 111.786 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 30.4 p -90.75 -9.9 44.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.867 0.365 . . . . 0.0 111.928 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -100.21 -32.99 10.62 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 112.461 0.541 . . . . 0.0 112.461 -174.575 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.707 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 28.0 mmmt -60.56 -25.93 66.54 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-O 121.606 0.717 . . . . 0.0 109.378 175.734 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.427 ' H ' HG23 ' A' ' 16' ' ' VAL . 3.3 t -62.03 124.11 80.58 Favored Pre-proline 0 C--N 1.32 -0.685 0 CA-C-N 114.306 -1.315 . . . . 0.0 111.071 -177.648 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 15.7 Cg_exo -67.12 124.62 12.4 Favored 'Trans proline' 0 N--CA 1.455 -0.759 0 C-N-CA 122.056 1.837 . . . . 0.0 110.449 172.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 56.0 mt -84.43 81.14 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.775 0 CA-C-O 121.329 0.585 . . . . 0.0 110.025 -176.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 8.0 tmtm? -71.39 -58.02 3.9 Favored 'General case' 0 N--CA 1.447 -0.613 0 CA-C-N 115.303 -0.862 . . . . 0.0 109.047 176.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.5 ptm180 -100.93 142.76 25.26 Favored Pre-proline 0 C--N 1.322 -0.614 0 CA-C-N 115.675 -0.693 . . . . 0.0 109.855 177.005 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 37.1 Cg_exo -61.47 88.99 0.1 OUTLIER 'Trans proline' 0 C--N 1.345 0.366 0 C-N-CA 122.682 2.254 . . . . 0.0 111.649 175.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 14.1 m . . . . . 0 C--O 1.252 1.192 0 CA-C-O 118.641 -0.695 . . . . 0.0 110.037 -177.73 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 11.1 mp . . . . . 0 N--CA 1.481 1.078 0 N-CA-C 110.105 -0.331 . . . . 0.0 110.105 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.4 tpt180 -141.35 140.97 33.85 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 109.928 -0.397 . . . . 0.0 109.928 179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.554 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.1 pp -58.17 -24.99 60.93 Favored 'General case' 0 CA--C 1.513 -0.455 0 N-CA-C 113.396 0.888 . . . . 0.0 113.396 -176.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.645 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 32.3 mm -59.43 -46.84 92.37 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-O 120.958 0.408 . . . . 0.0 110.142 176.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.6 m-70 -67.13 -34.12 76.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.056 177.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -62.46 -52.7 62.5 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 115.759 -0.655 . . . . 0.0 111.094 179.51 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 3' ' ' LEU . 4.6 p -68.97 -38.3 78.34 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.197 0 CA-C-N 116.625 -0.261 . . . . 0.0 111.397 -178.284 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.645 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.9 mpt_? -59.91 -58.76 7.15 Favored 'General case' 0 CA--C 1.52 -0.194 0 C-N-CA 121.18 -0.208 . . . . 0.0 110.64 178.264 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.37 -32.25 63.84 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 121.031 -0.605 . . . . 0.0 111.889 179.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.428 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 18.6 t80 -56.76 -61.77 2.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.789 -0.206 . . . . 0.0 111.313 176.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.507 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 57.7 p-90 -73.69 -29.0 62.03 Favored 'General case' 0 C--N 1.327 -0.388 0 C-N-CA 119.913 -0.715 . . . . 0.0 111.392 -173.856 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 82.9 mt -62.64 -32.03 73.0 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.712 0.264 . . . . 0.0 111.712 178.417 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.5 p -89.99 -10.98 42.97 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.073 0.464 . . . . 0.0 111.616 -179.64 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 12.9 m-80 -100.22 -20.13 16.07 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.124 -0.489 . . . . 0.0 112.019 -176.162 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.507 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 49.6 mmtm -75.16 -6.96 52.4 Favored 'General case' 0 N--CA 1.467 0.399 0 CA-C-O 121.634 0.731 . . . . 0.0 110.328 176.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.4 t -81.97 124.42 79.06 Favored Pre-proline 0 C--N 1.31 -1.151 0 CA-C-N 114.644 -1.162 . . . . 0.0 110.943 -172.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 45.2 Cg_exo -56.57 138.59 85.22 Favored 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.839 2.359 . . . . 0.0 111.861 177.135 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.438 HG22 ' HG2' ' A' ' 20' ' ' ARG . 31.7 mt -105.69 112.01 37.29 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.934 0 N-CA-C 108.952 -0.758 . . . . 0.0 108.952 -177.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 15.9 tppt? -57.62 -13.2 3.55 Favored 'General case' 0 C--N 1.313 -0.984 0 CA-C-N 114.197 -1.365 . . . . 0.0 113.119 -175.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.438 ' HG2' HG22 ' A' ' 18' ' ' ILE . 5.9 ptm180 -56.07 134.2 74.34 Favored Pre-proline 0 C--O 1.235 0.306 0 CA-C-O 120.647 0.26 . . . . 0.0 110.95 179.794 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_exo -60.23 100.36 0.15 Allowed 'Trans proline' 0 C--N 1.346 0.423 0 C-N-CA 122.538 2.159 . . . . 0.0 111.648 177.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 m . . . . . 0 C--O 1.25 1.098 0 CA-C-O 118.775 -0.631 . . . . 0.0 110.068 -178.475 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 83.9 mt . . . . . 0 N--CA 1.479 1.014 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 23.5 ttp180 -148.34 171.14 16.49 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.549 -0.537 . . . . 0.0 109.549 -177.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -52.26 -57.98 8.03 Favored 'General case' 0 C--N 1.328 -0.345 0 N-CA-C 112.654 0.613 . . . . 0.0 112.654 -173.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.0 mm -57.51 -34.96 48.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-O 121.347 0.594 . . . . 0.0 111.163 -178.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -78.47 -23.66 46.37 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.724 179.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -74.72 -40.16 61.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.492 -179.223 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.518 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 2.4 p -75.48 -39.52 40.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.83 177.454 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.466 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 1.3 mpt_? -63.65 -53.9 44.09 Favored 'General case' 0 N--CA 1.454 -0.231 0 C-N-CA 120.952 -0.299 . . . . 0.0 110.861 176.03 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.0 -28.79 61.37 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 121.0 -0.619 . . . . 0.0 111.993 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.518 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 8.8 t80 -57.81 -61.54 2.45 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.43 -0.385 . . . . 0.0 111.25 176.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.512 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 66.9 p-90 -73.18 -27.28 61.55 Favored 'General case' 0 C--N 1.328 -0.33 0 C-N-CA 120.124 -0.63 . . . . 0.0 111.245 -175.677 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 78.2 mt -66.09 -32.02 73.24 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.492 -0.322 . . . . 0.0 111.644 178.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.9 p -89.22 -9.63 50.04 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-O 121.373 0.606 . . . . 0.0 111.044 178.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -91.7 -25.05 19.28 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.238 -178.282 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.512 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.0 mmtp -71.29 -8.33 52.94 Favored 'General case' 0 N--CA 1.464 0.262 0 CA-C-O 121.85 0.833 . . . . 0.0 110.057 175.474 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.9 t -93.32 123.25 61.14 Favored Pre-proline 0 C--N 1.312 -1.028 0 CA-C-N 114.613 -1.176 . . . . 0.0 110.215 -177.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 22.3 Cg_exo -63.53 130.28 27.74 Favored 'Trans proline' 0 N--CA 1.462 -0.328 0 C-N-CA 122.22 1.947 . . . . 0.0 111.638 177.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 46.3 mt -84.74 79.1 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 121.477 0.656 . . . . 0.0 109.861 -179.212 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 pttp -80.12 -19.96 46.1 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-N 115.161 -0.927 . . . . 0.0 110.482 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' HE ' ' C ' ' A' ' 22' ' ' SER . 14.4 ptm180 -67.39 129.83 93.57 Favored Pre-proline 0 C--N 1.324 -0.506 0 CA-C-N 116.274 -0.421 . . . . 0.0 109.866 176.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.416 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 12.3 Cg_exo -68.24 -9.25 25.29 Favored 'Trans proline' 0 C--N 1.347 0.479 0 C-N-CA 122.616 2.211 . . . . 0.0 112.846 -178.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.431 ' C ' ' HE ' ' A' ' 20' ' ' ARG . 12.3 t . . . . . 0 C--N 1.307 -1.274 0 CA-C-N 115.103 -0.953 . . . . 0.0 109.494 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 91.8 mt . . . . . 0 N--CA 1.482 1.171 0 CA-C-O 121.182 0.515 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -147.21 119.88 8.59 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.874 -0.603 . . . . 0.0 109.74 -178.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.7 pp -64.12 -30.0 71.09 Favored 'General case' 0 CA--C 1.511 -0.547 0 C-N-CA 120.83 -0.348 . . . . 0.0 111.715 -179.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.616 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 35.2 mm -61.28 -45.2 99.07 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.654 0 N-CA-C 109.646 -0.502 . . . . 0.0 109.646 176.673 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -69.3 -31.35 69.78 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.503 177.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -65.04 -49.98 68.02 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.821 179.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.534 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.3 p -70.0 -35.03 62.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.679 -0.237 . . . . 0.0 110.827 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.616 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.0 mpt_? -60.28 -57.87 10.96 Favored 'General case' 0 CA--C 1.519 -0.222 0 N-CA-C 110.372 -0.232 . . . . 0.0 110.372 174.517 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.42 -28.21 50.02 Favored Glycine 0 N--CA 1.453 -0.224 0 CA-C-N 116.11 -0.495 . . . . 0.0 112.175 178.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.534 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 24.0 t80 -59.6 -61.65 2.46 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 115.734 -0.233 . . . . 0.0 111.123 175.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.532 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 69.0 p-90 -74.24 -24.87 59.37 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.042 -0.663 . . . . 0.0 111.415 -174.542 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.429 ' HG ' ' O ' ' A' ' 8' ' ' ARG . 79.6 mt -67.23 -31.48 71.87 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.072 0.463 . . . . 0.0 111.374 178.162 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 43.2 p -92.23 -9.3 42.69 Favored 'General case' 0 C--N 1.317 -0.84 0 CA-C-O 121.207 0.527 . . . . 0.0 111.187 178.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -101.05 -59.71 1.65 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.83 -0.623 . . . . 0.0 112.141 -176.69 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.9 mmtp -66.0 -22.97 66.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 121.461 0.648 . . . . 0.0 110.274 -174.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.437 ' HA ' ' HD3' ' A' ' 17' ' ' PRO . 3.2 t -100.1 123.25 47.64 Favored Pre-proline 0 C--N 1.317 -0.83 0 CA-C-N 115.014 -0.993 . . . . 0.0 110.548 -174.092 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . 0.437 ' HD3' ' HA ' ' A' ' 16' ' ' VAL . 16.6 Cg_exo -66.34 124.81 13.0 Favored 'Trans proline' 0 N--CA 1.463 -0.3 0 C-N-CA 122.453 2.102 . . . . 0.0 111.633 177.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 61.0 mt -99.57 88.9 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.633 0 CA-C-O 121.454 0.645 . . . . 0.0 110.762 -174.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 62.6 mttp -92.23 -20.74 20.85 Favored 'General case' 0 C--N 1.32 -0.677 0 CA-C-N 115.263 -0.88 . . . . 0.0 109.746 174.069 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.412 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 11.3 ptp180 -62.37 146.43 93.16 Favored Pre-proline 0 C--N 1.325 -0.466 0 CA-C-N 115.426 -0.806 . . . . 0.0 110.939 179.384 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.412 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 24.6 Cg_exo -63.8 84.53 0.14 Allowed 'Trans proline' 0 C--N 1.347 0.46 0 C-N-CA 122.802 2.335 . . . . 0.0 111.996 175.036 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.9 m . . . . . 0 C--O 1.248 1.023 0 CA-C-O 118.372 -0.823 . . . . 0.0 110.1 -179.905 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 5.2 mp . . . . . 0 N--CA 1.483 1.187 0 N-CA-C 110.412 -0.218 . . . . 0.0 110.412 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.6 tpt180 -64.28 152.96 39.65 Favored 'General case' 0 C--O 1.222 -0.348 0 N-CA-C 109.095 -0.706 . . . . 0.0 109.095 177.627 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.8 -61.51 2.27 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 113.124 0.787 . . . . 0.0 113.124 -170.454 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.591 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 44.5 mm -56.92 -38.05 57.48 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 CA-C-O 120.986 0.422 . . . . 0.0 110.574 -177.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 29.7 m-70 -74.84 -23.35 58.42 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.57 179.588 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -78.6 -45.44 21.66 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.386 -178.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.2 p -69.86 -34.86 62.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.513 178.711 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.591 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.0 mpt_? -60.53 -56.02 26.36 Favored 'General case' 0 CA--C 1.52 -0.182 0 N-CA-C 110.266 -0.272 . . . . 0.0 110.266 173.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.79 -30.87 60.27 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.03 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 21.6 t80 -55.11 -66.26 0.44 Allowed 'General case' 0 C--N 1.329 -0.311 0 C-N-CA 122.39 0.276 . . . . 0.0 111.406 176.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.591 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.7 p-90 -70.14 -30.81 68.07 Favored 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 120.138 -0.625 . . . . 0.0 111.223 -174.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 91.8 mt -62.47 -29.76 70.77 Favored 'General case' 0 C--N 1.326 -0.437 0 N-CA-C 111.876 0.325 . . . . 0.0 111.876 178.301 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 p -90.45 -9.5 47.2 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.186 0.517 . . . . 0.0 111.384 178.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -100.24 -22.21 15.21 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.837 -0.62 . . . . 0.0 111.851 -175.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.591 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 74.8 mmtt -73.11 -8.64 56.66 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.742 0.782 . . . . 0.0 109.95 175.137 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -88.02 116.45 66.22 Favored Pre-proline 0 C--N 1.312 -1.035 0 CA-C-N 114.356 -1.293 . . . . 0.0 110.021 -176.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 27.0 Cg_endo -65.85 146.45 83.21 Favored 'Trans proline' 0 N--CA 1.46 -0.459 0 C-N-CA 122.294 1.996 . . . . 0.0 111.361 178.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 38.2 mt -82.62 76.68 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-O 121.577 0.703 . . . . 0.0 110.216 -177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -89.14 -35.77 16.08 Favored 'General case' 0 N--CA 1.448 -0.574 0 CA-C-N 115.177 -0.919 . . . . 0.0 109.822 177.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.6 mtm180 -100.51 147.81 34.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.554 -0.748 . . . . 0.0 109.47 176.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 6.1 Cg_exo -74.2 79.15 2.46 Favored 'Trans proline' 0 N--CA 1.462 -0.36 0 C-N-CA 122.217 1.944 . . . . 0.0 111.19 173.666 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.2 m . . . . . 0 C--O 1.249 1.051 0 CA-C-O 118.682 -0.675 . . . . 0.0 110.199 -179.189 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 95.4 mt . . . . . 0 N--CA 1.479 0.986 0 N-CA-C 110.133 -0.321 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 67.9 ttt180 -65.86 133.44 50.95 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 121.018 0.437 . . . . 0.0 110.209 177.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.506 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.7 pp -63.61 -27.32 69.15 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.557 -176.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.608 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.0 mm -61.91 -42.71 95.72 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.698 0 C-N-CA 120.45 -0.5 . . . . 0.0 110.167 177.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -72.59 -31.38 65.16 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.92 0.39 . . . . 0.0 110.253 176.601 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.72 70.2 Favored 'General case' 0 N--CA 1.452 -0.337 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.166 -179.425 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.506 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.0 p -68.83 -38.19 78.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.479 -0.328 . . . . 0.0 111.153 -178.51 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.608 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.7 mpt_? -57.43 -61.45 2.48 Favored 'General case' 0 CA--C 1.519 -0.243 0 CA-C-O 120.688 0.28 . . . . 0.0 110.589 177.067 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.82 -32.69 62.29 Favored Glycine 0 N--CA 1.449 -0.46 0 C-N-CA 120.9 -0.667 . . . . 0.0 111.957 179.563 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.472 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 33.4 t80 -54.53 -66.65 0.36 Allowed 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 122.508 0.323 . . . . 0.0 111.483 177.464 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.597 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 61.5 p-90 -68.9 -33.68 74.17 Favored 'General case' 0 C--N 1.329 -0.289 0 C-N-CA 120.09 -0.644 . . . . 0.0 110.988 -174.013 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 84.4 mt -58.54 -36.02 73.23 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 112.082 0.401 . . . . 0.0 112.082 178.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 33.2 p -90.91 -15.49 29.76 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-O 121.007 0.432 . . . . 0.0 111.923 -179.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.1 m-80 -94.84 -22.53 17.97 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 112.349 0.5 . . . . 0.0 112.349 -173.606 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 75.2 mmtt -72.85 -9.68 58.95 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.702 0.763 . . . . 0.0 109.785 175.35 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.8 t -90.61 123.03 66.32 Favored Pre-proline 0 C--N 1.317 -0.835 0 CA-C-N 114.455 -1.248 . . . . 0.0 110.578 -177.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 73.5 Cg_endo -80.97 155.14 19.88 Favored 'Trans proline' 0 N--CA 1.458 -0.578 0 C-N-CA 122.413 2.075 . . . . 0.0 112.154 177.057 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 66.7 mt 52.56 91.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 121.675 0.75 . . . . 0.0 111.862 -179.126 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 1.3 mmmp? -93.82 -15.56 24.98 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.035 -0.53 . . . . 0.0 110.309 179.398 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 17.1 ptp180 -78.7 133.47 62.54 Favored Pre-proline 0 C--N 1.326 -0.446 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.093 178.491 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.457 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 24.3 Cg_exo -62.62 133.05 40.46 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.727 2.285 . . . . 0.0 113.255 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.4 m . . . . . 0 C--O 1.25 1.128 0 CA-C-O 118.492 -0.766 . . . . 0.0 110.016 177.524 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.1 mm? . . . . . 0 N--CA 1.482 1.139 0 N-CA-C 109.924 -0.398 . . . . 0.0 109.924 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 -178.64 163.11 1.46 Allowed 'General case' 0 C--O 1.224 -0.269 0 N-CA-C 108.944 -0.761 . . . . 0.0 108.944 -179.27 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 5.7 tt -52.41 -57.67 9.1 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 120.912 0.387 . . . . 0.0 111.751 -177.64 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -57.96 -41.98 81.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.566 0 CA-C-N 115.692 -0.685 . . . . 0.0 110.933 -176.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.0 m-70 -72.14 -22.02 61.37 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.656 178.281 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -76.56 -52.31 9.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.4 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.481 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.0 p -69.96 -39.57 77.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.286 -177.797 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.463 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.6 mpt_? -59.08 -59.69 5.07 Favored 'General case' 0 CA--C 1.518 -0.27 0 C-N-CA 121.301 -0.16 . . . . 0.0 111.151 179.136 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.19 -31.14 56.16 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 121.15 -0.547 . . . . 0.0 112.124 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.481 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.6 t80 -57.55 -60.91 2.95 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.847 -0.177 . . . . 0.0 111.237 177.193 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.648 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.9 p-90 -76.27 -30.67 57.91 Favored 'General case' 0 C--N 1.326 -0.42 0 C-N-CA 119.979 -0.688 . . . . 0.0 111.388 -174.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.7 mt -62.45 -28.66 69.96 Favored 'General case' 0 C--N 1.323 -0.566 0 N-CA-C 111.824 0.305 . . . . 0.0 111.824 179.104 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.5 p -90.66 -9.72 45.83 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.158 0.504 . . . . 0.0 111.137 177.314 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -100.9 -20.87 15.28 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.058 -0.519 . . . . 0.0 112.024 -175.665 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.648 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 32.0 mmmt -72.77 -4.31 30.69 Favored 'General case' 0 N--CA 1.465 0.28 0 CA-C-O 121.67 0.748 . . . . 0.0 110.258 176.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.6 t -92.69 110.86 48.06 Favored Pre-proline 0 C--N 1.313 -1.007 0 CA-C-N 114.442 -1.253 . . . . 0.0 110.096 -177.545 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 43.7 Cg_endo -69.39 154.72 68.79 Favored 'Trans proline' 0 C--O 1.235 0.369 0 C-N-CA 122.157 1.904 . . . . 0.0 112.078 -179.01 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 62.7 mt 47.27 77.89 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.453 -0.313 0 O-C-N 123.986 0.804 . . . . 0.0 110.581 -176.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.5 ptmm? -66.07 -28.33 68.75 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.365 -0.834 . . . . 0.0 111.554 -174.468 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.411 ' HA ' ' HD3' ' A' ' 21' ' ' PRO . 99.1 mtt180 -83.66 135.24 43.46 Favored Pre-proline 0 C--N 1.326 -0.454 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 20' ' ' ARG . 6.0 Cg_exo -76.55 44.1 1.34 Allowed 'Trans proline' 0 N--CA 1.463 -0.307 0 C-N-CA 122.585 2.19 . . . . 0.0 111.395 173.719 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.738 -0.649 . . . . 0.0 109.287 -176.496 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.1 tm? . . . . . 0 N--CA 1.478 0.96 0 N-CA-C 109.66 -0.496 . . . . 0.0 109.66 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 21.3 tpt180 -86.4 146.54 26.4 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.387 -178.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 4' ' ' ILE . 0.9 OUTLIER -56.89 -28.57 62.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.502 -0.772 . . . . 0.0 112.695 -178.563 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 3' ' ' LEU . 44.4 mm -59.11 -45.57 92.5 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.608 0 CA-C-O 121.213 0.53 . . . . 0.0 109.93 176.856 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.5 m-70 -73.37 -27.34 61.43 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 109.908 179.406 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.32 -45.55 69.23 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.363 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.503 HG12 ' O ' ' A' ' 3' ' ' LEU . 6.4 p -77.92 -38.96 25.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 C-N-CA 120.618 -0.433 . . . . 0.0 111.088 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.542 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.8 mpt_? -63.14 -55.96 20.8 Favored 'General case' 0 CA--C 1.518 -0.255 0 N-CA-C 110.128 -0.323 . . . . 0.0 110.128 177.173 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.28 -31.9 59.88 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 116.006 -0.543 . . . . 0.0 112.228 178.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.469 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 10.5 t80 -54.27 -62.63 1.53 Allowed 'General case' 0 N--CA 1.453 -0.302 0 O-C-N 123.623 0.249 . . . . 0.0 111.25 176.537 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.404 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 65.7 p-90 -74.76 -28.72 60.88 Favored 'General case' 0 C--N 1.326 -0.446 0 C-N-CA 120.062 -0.655 . . . . 0.0 111.124 -174.733 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 77.0 mt -63.27 -30.81 71.88 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.664 179.21 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.7 p -93.37 -28.69 16.01 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 112.333 0.494 . . . . 0.0 112.333 176.262 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -88.04 -35.91 17.28 Favored 'General case' 0 N--CA 1.468 0.452 0 N-CA-C 113.531 0.937 . . . . 0.0 113.531 -169.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 3.1 mmmp? -68.56 -10.63 57.03 Favored 'General case' 0 N--CA 1.467 0.404 0 CA-C-O 121.48 0.657 . . . . 0.0 110.379 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.6 t -87.14 116.94 67.8 Favored Pre-proline 0 C--N 1.312 -1.062 0 CA-C-N 114.672 -1.149 . . . . 0.0 110.696 -174.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -74.5 140.66 27.23 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.517 2.145 . . . . 0.0 112.142 -177.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 32.7 mt -105.62 71.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 CA-C-O 121.415 0.626 . . . . 0.0 109.819 177.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -92.28 -28.69 16.82 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.715 -0.675 . . . . 0.0 109.944 178.442 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.4 mtt180 -79.58 123.56 84.12 Favored Pre-proline 0 C--N 1.322 -0.606 0 CA-C-N 115.741 -0.663 . . . . 0.0 109.249 174.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 79.9 Cg_exo -47.97 102.56 0.05 OUTLIER 'Trans proline' 0 C--O 1.234 0.322 0 C-N-CA 123.226 2.617 . . . . 0.0 112.241 178.878 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.2 p . . . . . 0 C--O 1.248 1.02 0 CA-C-O 118.388 -0.815 . . . . 0.0 110.71 -177.434 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 3.3 tm? . . . . . 0 N--CA 1.481 1.083 0 N-CA-C 109.992 -0.373 . . . . 0.0 109.992 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 22.0 tpp180 -139.21 112.63 8.24 Favored 'General case' 0 N--CA 1.45 -0.444 0 CA-C-N 116.641 -0.254 . . . . 0.0 110.399 -178.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.559 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.2 pp -61.85 -29.85 70.45 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.34 -0.391 . . . . 0.0 112.005 178.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.559 ' N ' HD12 ' A' ' 3' ' ' LEU . 48.5 mm -57.7 -51.77 65.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.589 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.409 179.17 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -72.69 -19.7 61.36 Favored 'General case' 0 C--N 1.323 -0.551 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.719 -179.676 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -73.03 -47.98 40.18 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.621 178.45 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.482 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -79.85 -40.16 20.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 C-N-CA 120.59 -0.444 . . . . 0.0 111.079 -179.196 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.507 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.6 mpt_? -60.41 -57.95 10.58 Favored 'General case' 0 CA--C 1.519 -0.23 0 N-CA-C 110.129 -0.323 . . . . 0.0 110.129 176.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -27.73 48.91 Favored Glycine 0 N--CA 1.451 -0.332 0 CA-C-N 115.819 -0.628 . . . . 0.0 112.473 -179.71 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.482 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 4.9 t80 -59.22 -63.8 1.17 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 120.359 0.123 . . . . 0.0 110.818 176.097 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.567 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 67.0 p-90 -75.23 -28.26 59.82 Favored 'General case' 0 C--N 1.329 -0.305 0 C-N-CA 120.188 -0.605 . . . . 0.0 111.701 -174.075 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 94.9 mt -63.82 -35.63 81.24 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 112.246 0.461 . . . . 0.0 112.246 179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.1 p -87.17 -11.2 50.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.037 0.446 . . . . 0.0 111.834 -176.77 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 10.3 m-80 -96.09 -20.45 18.64 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.783 -174.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.567 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.7 mmtp -75.36 -10.01 59.08 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.7 0.762 . . . . 0.0 109.75 175.735 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -86.61 115.27 61.67 Favored Pre-proline 0 C--N 1.315 -0.92 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.493 -176.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 3.5 Cg_exo -74.44 163.43 36.2 Favored 'Trans proline' 0 N--CA 1.459 -0.532 0 C-N-CA 122.638 2.225 . . . . 0.0 111.755 177.266 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 84.2 mt 60.13 84.62 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 CA-C-O 121.518 0.675 . . . . 0.0 111.437 179.239 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.8 ttmt -69.54 -27.11 64.87 Favored 'General case' 0 N--CA 1.449 -0.496 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.959 176.133 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.4 mmt180 -57.81 151.62 41.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-N 115.104 -0.953 . . . . 0.0 110.792 177.318 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 7.4 Cg_endo -80.07 57.07 6.33 Favored 'Trans proline' 0 N--CA 1.46 -0.467 0 C-N-CA 122.76 2.307 . . . . 0.0 112.045 178.574 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 23.2 t . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.159 -0.924 . . . . 0.0 110.377 -178.125 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 90.8 mt . . . . . 0 N--CA 1.479 0.986 0 CA-C-O 120.783 0.325 . . . . 0.0 110.374 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 15.0 tpp180 -115.78 111.11 20.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.203 -0.453 . . . . 0.0 109.946 -179.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.557 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.4 pp -63.24 -27.95 69.7 Favored 'General case' 0 C--N 1.325 -0.487 0 C-N-CA 120.907 -0.317 . . . . 0.0 111.717 -178.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.557 ' N ' HD12 ' A' ' 3' ' ' LEU . 47.7 mm -59.29 -41.65 84.77 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.235 177.815 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.0 m-70 -71.53 -31.15 66.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.768 0.318 . . . . 0.0 110.492 178.288 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.16 -50.78 44.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.068 179.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.533 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.4 p -68.06 -35.31 71.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.214 0 CA-C-N 116.566 -0.288 . . . . 0.0 110.895 -179.541 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.537 ' HA ' ' NE1' ' A' ' 11' ' ' TRP . 8.4 mpt_? -61.85 -54.33 43.61 Favored 'General case' 0 N--CA 1.454 -0.273 0 CA-C-O 120.5 0.191 . . . . 0.0 110.536 175.051 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.31 -30.7 58.65 Favored Glycine 0 N--CA 1.454 -0.155 0 C-N-CA 121.021 -0.609 . . . . 0.0 111.999 178.55 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.533 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 17.8 t80 -56.63 -59.99 4.19 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 122.372 0.269 . . . . 0.0 111.465 177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.558 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.7 p-90 -77.7 -32.31 52.92 Favored 'General case' 0 C--N 1.328 -0.342 0 C-N-CA 120.067 -0.653 . . . . 0.0 111.431 -175.587 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -60.84 -27.93 68.45 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.86 0.319 . . . . 0.0 111.86 -179.255 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 23.9 p -91.59 -18.06 24.63 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 112.013 0.375 . . . . 0.0 112.013 178.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 17.2 m-80 -100.23 -28.64 12.89 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 113.109 0.781 . . . . 0.0 113.109 -172.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.558 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 35.2 mmtp -68.64 -10.2 54.64 Favored 'General case' 0 N--CA 1.467 0.403 0 CA-C-O 121.554 0.692 . . . . 0.0 110.203 178.164 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.9 t -79.87 111.28 20.3 Favored Pre-proline 0 C--N 1.313 -0.979 0 CA-C-N 114.432 -1.258 . . . . 0.0 110.63 -176.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 70.9 Cg_endo -79.83 117.74 3.66 Favored 'Trans proline' 0 N--CA 1.453 -0.87 0 C-N-CA 121.812 1.675 . . . . 0.0 111.066 177.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 48.0 mt -128.16 81.41 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.283 0.563 . . . . 0.0 110.172 -176.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -94.26 -17.88 22.22 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 115.925 -0.58 . . . . 0.0 109.968 177.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.647 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.0 OUTLIER -84.98 155.46 60.98 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.67 -0.695 . . . . 0.0 109.308 174.934 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_exo -66.92 101.74 0.59 Allowed 'Trans proline' 0 C--O 1.234 0.287 0 C-N-CA 122.535 2.157 . . . . 0.0 111.956 178.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 46.0 m . . . . . 0 C--O 1.253 1.258 0 CA-C-O 118.043 -0.979 . . . . 0.0 110.608 179.594 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 8.1 mp . . . . . 0 N--CA 1.483 1.215 0 CA-C-O 121.038 0.446 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.7 tpp180 -150.94 121.25 7.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 109.483 -0.562 . . . . 0.0 109.483 177.275 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.8 pp -63.57 -29.88 71.08 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 112.348 0.499 . . . . 0.0 112.348 -176.402 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.518 ' N ' HD12 ' A' ' 3' ' ' LEU . 40.4 mm -59.35 -44.79 93.22 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.754 -0.379 . . . . 0.0 110.281 179.327 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.3 m-70 -67.61 -31.75 71.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.352 178.683 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -71.4 -42.04 68.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.927 -0.579 . . . . 0.0 111.517 -176.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.55 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.6 p -88.59 -39.65 12.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -177.39 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.458 ' HB2' ' O ' ' A' ' 4' ' ' ILE . 9.3 mpt_? -63.78 -60.2 3.59 Favored 'General case' 0 CA--C 1.518 -0.282 0 CA-C-O 120.574 0.226 . . . . 0.0 110.622 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.93 -29.26 50.68 Favored Glycine 0 N--CA 1.451 -0.315 0 CA-C-N 115.924 -0.58 . . . . 0.0 112.033 178.587 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 31.4 t80 -56.44 -67.73 0.28 Allowed 'General case' 0 C--N 1.327 -0.37 0 C-N-CA 122.575 0.35 . . . . 0.0 111.093 176.769 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.597 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 65.8 p-90 -68.86 -27.69 66.04 Favored 'General case' 0 C--N 1.329 -0.287 0 C-N-CA 120.424 -0.51 . . . . 0.0 111.262 -173.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 95.8 mt -62.9 -49.46 74.72 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 116.457 -0.338 . . . . 0.0 111.381 177.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 40.9 p -77.98 -9.47 59.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.068 0.461 . . . . 0.0 111.469 -177.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -89.21 -32.31 17.49 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.821 -177.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.597 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.8 mmtp -61.55 -30.72 70.83 Favored 'General case' 0 CA--C 1.518 -0.269 0 CA-C-O 121.839 0.828 . . . . 0.0 109.278 176.179 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.3 t -61.57 130.7 92.27 Favored Pre-proline 0 C--N 1.319 -0.75 0 CA-C-N 114.045 -1.434 . . . . 0.0 109.426 176.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -60.35 119.35 6.49 Favored 'Trans proline' 0 N--CA 1.461 -0.399 0 C-N-CA 122.224 1.949 . . . . 0.0 112.04 -179.177 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 54.7 mt -111.59 88.33 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.316 -0.889 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.36 -179.57 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 64.2 mttm -87.5 -23.3 24.46 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.093 -177.506 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -87.04 152.43 53.27 Favored Pre-proline 0 C--N 1.321 -0.633 0 CA-C-N 115.595 -0.73 . . . . 0.0 109.462 178.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -74.09 112.47 3.55 Favored 'Trans proline' 0 N--CA 1.462 -0.371 0 C-N-CA 122.383 2.055 . . . . 0.0 112.317 -176.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.9 m . . . . . 0 C--O 1.249 1.032 0 CA-C-O 118.454 -0.784 . . . . 0.0 110.327 179.665 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 55.0 tp . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 110.388 -0.227 . . . . 0.0 110.388 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 18.7 tpt180 -108.09 166.25 10.87 Favored 'General case' 0 C--N 1.327 -0.387 0 N-CA-C 109.797 -0.446 . . . . 0.0 109.797 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 4.8 tt -51.16 -61.22 2.37 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.683 0.623 . . . . 0.0 112.683 -174.576 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.554 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 34.0 mm -57.87 -36.81 57.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.891 -176.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 15.3 m-70 -72.97 -24.3 60.76 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 116.491 -0.322 . . . . 0.0 110.612 178.284 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -77.8 -46.9 20.24 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.463 -0.335 . . . . 0.0 110.496 -179.144 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.526 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 4.3 p -70.01 -37.06 71.4 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.038 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.554 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 10.7 mpt_? -63.7 -55.32 24.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.627 0.251 . . . . 0.0 110.425 175.763 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.02 -31.29 61.41 Favored Glycine 0 N--CA 1.454 -0.158 0 C-N-CA 121.016 -0.612 . . . . 0.0 111.977 178.498 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.526 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 15.9 t80 -54.01 -60.99 2.61 Favored 'General case' 0 C--N 1.328 -0.333 0 C-N-CA 122.782 0.433 . . . . 0.0 111.497 176.508 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.435 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 67.2 p-90 -76.27 -29.4 57.43 Favored 'General case' 0 C--N 1.328 -0.354 0 C-N-CA 120.204 -0.599 . . . . 0.0 111.247 -175.382 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 85.5 mt -62.82 -29.65 70.89 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 179.253 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.6 p -92.76 -19.48 21.73 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 120.912 0.387 . . . . 0.0 112.041 177.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 m-80 -100.11 -35.39 9.69 Favored 'General case' 0 C--N 1.327 -0.372 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 -170.235 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 74.8 mmtt -72.38 -3.0 21.43 Favored 'General case' 0 N--CA 1.47 0.56 0 CA-C-O 121.769 0.795 . . . . 0.0 110.716 -177.232 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.2 t -91.95 115.35 64.46 Favored Pre-proline 0 C--N 1.307 -1.277 0 CA-C-N 114.424 -1.262 . . . . 0.0 109.919 -178.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 10.2 Cg_exo -69.37 119.76 6.69 Favored 'Trans proline' 0 N--CA 1.46 -0.455 0 C-N-CA 122.263 1.975 . . . . 0.0 111.062 177.795 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 55.1 mt -121.06 94.05 2.8 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.832 0 CA-C-O 121.065 0.46 . . . . 0.0 110.019 -176.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.6 pttt -82.72 -19.32 38.21 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.58 179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 99.5 mtt180 -81.61 155.05 71.3 Favored Pre-proline 0 C--N 1.324 -0.531 0 CA-C-N 115.963 -0.562 . . . . 0.0 109.674 176.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -79.0 88.23 1.48 Allowed 'Trans proline' 0 N--CA 1.458 -0.605 0 C-N-CA 122.559 2.172 . . . . 0.0 111.89 179.002 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.9 t . . . . . 0 C--O 1.248 1.016 0 CA-C-O 118.453 -0.784 . . . . 0.0 109.585 -179.798 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 88.0 mt . . . . . 0 N--CA 1.482 1.129 0 N-CA-C 110.304 -0.258 . . . . 0.0 110.304 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 70.07 123.53 0.03 OUTLIER 'General case' 0 CA--C 1.519 -0.242 0 O-C-N 123.934 0.771 . . . . 0.0 110.661 -177.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.501 HD12 ' N ' ' A' ' 4' ' ' ILE . 3.1 pp -60.32 -26.55 66.63 Favored 'General case' 0 CA--C 1.509 -0.599 0 CA-C-N 115.742 -0.663 . . . . 0.0 111.952 -177.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.527 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 46.6 mm -56.46 -41.68 73.0 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.694 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.522 -179.516 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.1 m-70 -69.14 -35.87 76.82 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.295 -179.755 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.7 -51.87 30.62 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.405 -0.816 . . . . 0.0 111.098 -178.907 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.504 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 7.7 p -67.69 -34.79 70.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.437 -175.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.527 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 8.3 mpt_? -57.44 -61.16 2.69 Favored 'General case' 0 CA--C 1.519 -0.215 0 CA-C-O 120.532 0.205 . . . . 0.0 110.738 176.562 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.69 -25.88 56.44 Favored Glycine 0 N--CA 1.453 -0.22 0 C-N-CA 121.029 -0.605 . . . . 0.0 112.251 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.504 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 44.1 t80 -62.21 -58.74 6.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.639 -0.281 . . . . 0.0 111.451 178.005 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.45 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 64.4 p-90 -77.74 -30.53 51.66 Favored 'General case' 0 C--N 1.331 -0.238 0 C-N-CA 120.146 -0.622 . . . . 0.0 111.39 -175.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 87.9 mt -60.8 -27.82 68.31 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.713 179.717 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 21.1 p -92.93 -21.68 19.67 Favored 'General case' 0 C--N 1.326 -0.428 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 178.124 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.4 m-80 -95.81 -32.68 12.57 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 113.186 0.81 . . . . 0.0 113.186 -169.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.45 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 34.6 mmtp -73.51 -11.83 60.58 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.585 0.707 . . . . 0.0 110.44 -178.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.433 ' H ' HG23 ' A' ' 16' ' ' VAL . 3.4 t -68.36 130.18 92.4 Favored Pre-proline 0 C--N 1.313 -0.993 0 CA-C-N 114.366 -1.288 . . . . 0.0 110.171 -179.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 89.2 Cg_exo -47.46 145.49 8.63 Favored 'Trans proline' 0 C--N 1.349 0.577 0 C-N-CA 123.654 2.903 . . . . 0.0 113.661 -177.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.59 HG22 ' H ' ' A' ' 20' ' ' ARG . 30.9 mt -137.87 127.72 35.48 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.788 0 N-CA-C 108.606 -0.887 . . . . 0.0 108.606 -175.264 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 pttt -55.54 -22.36 21.25 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.408 -0.815 . . . . 0.0 111.836 179.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.59 ' H ' HG22 ' A' ' 18' ' ' ILE . 46.9 mtp180 -95.71 132.17 27.87 Favored Pre-proline 0 C--N 1.323 -0.546 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 171.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -55.95 105.96 0.18 Allowed 'Trans proline' 0 C--N 1.343 0.266 0 C-N-CA 122.74 2.293 . . . . 0.0 111.852 177.372 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 C--O 1.247 0.937 0 CA-C-O 118.834 -0.603 . . . . 0.0 109.561 -176.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 2.7 mm? . . . . . 0 N--CA 1.479 1.008 0 N-CA-C 109.812 -0.44 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 50.4 ttt180 -114.96 134.82 54.86 Favored 'General case' 0 CA--C 1.514 -0.41 0 CA-C-O 121.043 0.449 . . . . 0.0 110.152 176.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.552 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.0 OUTLIER -57.9 -26.23 61.88 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.307 -0.861 . . . . 0.0 112.813 -178.262 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.594 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 40.7 mm -58.14 -46.0 88.49 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 CA-C-O 120.72 0.295 . . . . 0.0 110.631 177.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.0 m-70 -68.81 -29.03 67.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.944 0.402 . . . . 0.0 110.417 178.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.86 -54.11 15.0 Favored 'General case' 0 N--CA 1.45 -0.461 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.741 179.192 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.54 ' O ' ' HB3' ' A' ' 10' ' ' TYR . 6.8 p -65.55 -35.65 75.76 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 CA-C-N 116.477 -0.329 . . . . 0.0 111.34 -178.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.594 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.5 mpt_? -59.47 -60.26 4.13 Favored 'General case' 0 CA--C 1.518 -0.267 0 C-N-CA 121.171 -0.212 . . . . 0.0 110.492 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.58 -32.49 53.5 Favored Glycine 0 N--CA 1.453 -0.197 0 C-N-CA 121.006 -0.616 . . . . 0.0 111.996 177.341 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.54 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 54.7 t80 -56.9 -64.02 1.01 Allowed 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.613 -0.293 . . . . 0.0 111.237 175.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.447 ' NE1' ' HA ' ' A' ' 8' ' ' ARG . 61.1 p-90 -71.94 -25.12 61.76 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.071 -0.652 . . . . 0.0 111.53 -174.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 72.0 mt -68.06 -30.33 69.51 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.017 0.437 . . . . 0.0 111.488 177.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.1 p -91.76 -8.34 47.08 Favored 'General case' 0 C--N 1.313 -1.008 0 CA-C-O 121.498 0.666 . . . . 0.0 110.66 178.354 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.417 ' HB2' ' HA ' ' A' ' 11' ' ' TRP . 0.9 OUTLIER -93.67 -63.16 1.23 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.247 -0.888 . . . . 0.0 111.415 -179.087 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . . . . . . . . . 34.8 mmtp -69.42 -25.99 64.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.969 -173.576 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 2.7 t -100.43 123.19 47.22 Favored Pre-proline 0 C--N 1.316 -0.878 0 CA-C-N 115.329 -0.851 . . . . 0.0 110.358 -174.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 21.1 Cg_exo -64.56 125.07 14.25 Favored 'Trans proline' 0 N--CA 1.462 -0.375 0 C-N-CA 122.342 2.028 . . . . 0.0 111.449 176.681 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 51.8 mt -91.03 76.81 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.318 -0.794 0 CA-C-O 121.414 0.626 . . . . 0.0 110.142 -177.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -78.63 -30.78 46.64 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-N 115.623 -0.717 . . . . 0.0 110.43 -179.492 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.5 ptm180 -85.76 134.88 38.7 Favored Pre-proline 0 C--N 1.326 -0.442 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.49 179.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 33.5 Cg_exo -60.86 105.72 0.33 Allowed 'Trans proline' 0 C--O 1.236 0.425 0 C-N-CA 122.692 2.261 . . . . 0.0 111.09 174.883 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 16.8 m . . . . . 0 C--O 1.245 0.822 0 CA-C-O 118.522 -0.752 . . . . 0.0 110.529 -176.465 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . 0.471 ' HG ' ' H ' ' A' ' 2' ' ' ARG . 18.5 tp . . . . . 0 N--CA 1.48 1.026 0 N-CA-C 109.902 -0.407 . . . . 0.0 109.902 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . 0.471 ' H ' ' HG ' ' A' ' 1' ' ' LEU . 0.8 OUTLIER -50.72 137.94 19.22 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-O 120.953 0.406 . . . . 0.0 110.689 177.752 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.564 ' O ' HG12 ' A' ' 7' ' ' VAL . 1.6 pp -60.39 -26.71 66.86 Favored 'General case' 0 CA--C 1.512 -0.51 0 CA-C-N 115.643 -0.708 . . . . 0.0 112.272 -178.138 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.596 ' O ' ' HD3' ' A' ' 8' ' ' ARG . 39.7 mm -59.72 -45.07 94.91 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.614 0 CA-C-O 121.062 0.458 . . . . 0.0 110.245 178.305 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -70.21 -32.47 70.38 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.192 177.004 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -67.15 -45.72 76.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.83 -0.623 . . . . 0.0 111.369 -179.181 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.564 HG12 ' O ' ' A' ' 3' ' ' LEU . 3.3 p -70.23 -38.35 74.28 Favored 'Isoleucine or valine' 0 C--N 1.333 -0.144 0 C-N-CA 121.272 -0.171 . . . . 0.0 110.946 179.567 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.596 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 9.9 mpt_? -60.95 -55.93 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 176.619 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.97 -32.44 66.55 Favored Glycine 0 N--CA 1.448 -0.504 0 C-N-CA 120.965 -0.636 . . . . 0.0 111.695 177.61 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.55 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 37.1 t80 -54.78 -67.67 0.25 Allowed 'General case' 0 N--CA 1.453 -0.293 0 C-N-CA 122.456 0.303 . . . . 0.0 111.052 175.469 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.614 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 61.5 p-90 -68.15 -31.94 71.85 Favored 'General case' 0 C--N 1.328 -0.359 0 C-N-CA 120.155 -0.618 . . . . 0.0 111.234 -173.66 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 79.5 mt -61.84 -33.14 73.62 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 111.696 0.258 . . . . 0.0 111.696 178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 36.0 p -90.69 -9.89 45.12 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 121.092 0.473 . . . . 0.0 111.347 178.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 4.5 m-80 -100.0 -36.59 9.32 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 112.696 0.628 . . . . 0.0 112.696 -171.556 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.614 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 31.8 mmmt -63.2 -17.54 62.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 121.513 0.673 . . . . 0.0 109.764 178.472 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 t -86.41 117.19 68.28 Favored Pre-proline 0 C--N 1.32 -0.703 0 CA-C-N 114.745 -1.116 . . . . 0.0 110.177 -179.279 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -71.02 117.94 5.43 Favored 'Trans proline' 0 N--CA 1.457 -0.646 0 C-N-CA 121.766 1.644 . . . . 0.0 111.468 176.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 47.6 mt -98.93 78.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-O 121.191 0.519 . . . . 0.0 109.837 -179.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 44.4 mtpt -95.33 -21.58 18.3 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 116.023 -0.535 . . . . 0.0 109.878 179.507 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -97.32 148.03 33.82 Favored Pre-proline 0 C--N 1.326 -0.456 0 CA-C-N 115.752 -0.658 . . . . 0.0 109.882 176.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 55.6 Cg_endo -83.6 121.95 3.04 Favored 'Trans proline' 0 N--CA 1.453 -0.895 0 C-N-CA 122.547 2.164 . . . . 0.0 111.598 177.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 17.2 t . . . . . 0 C--O 1.252 1.209 0 CA-C-O 118.283 -0.865 . . . . 0.0 110.429 -179.514 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' LEU . . . . . . . . . . . . . 4.9 mp . . . . . 0 N--CA 1.476 0.848 0 N-CA-C 109.845 -0.428 . . . . 0.0 109.845 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ARG . . . . . . . . . . . . . 20.1 tpp180 -141.07 135.39 30.96 Favored 'General case' 0 C--N 1.323 -0.567 0 N-CA-C 109.409 -0.589 . . . . 0.0 109.409 178.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.547 HD12 ' N ' ' A' ' 4' ' ' ILE . 1.3 pp -58.44 -27.76 64.64 Favored 'General case' 0 CA--C 1.513 -0.471 0 CA-C-N 115.615 -0.72 . . . . 0.0 112.396 -177.606 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . 0.547 ' N ' HD12 ' A' ' 3' ' ' LEU . 43.3 mm -60.29 -45.39 96.37 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.742 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.001 176.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 34.4 m-70 -74.66 -26.8 60.11 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 116.409 -0.36 . . . . 0.0 110.14 178.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -66.96 -49.69 64.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.885 -0.598 . . . . 0.0 110.64 178.028 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' VAL . . . . . 0.507 HG12 ' O ' ' A' ' 3' ' ' LEU . 7.7 p -71.36 -37.06 63.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.809 -0.356 . . . . 0.0 110.897 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . 0.485 ' HD3' ' O ' ' A' ' 4' ' ' ILE . 7.3 mpt_? -58.26 -57.94 10.66 Favored 'General case' 0 CA--C 1.519 -0.234 0 CA-C-O 120.527 0.203 . . . . 0.0 110.606 176.132 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.84 -27.88 59.82 Favored Glycine 0 N--CA 1.453 -0.211 0 C-N-CA 120.93 -0.653 . . . . 0.0 112.148 179.659 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.484 ' HB3' ' O ' ' A' ' 7' ' ' VAL . 25.9 t80 -60.26 -64.75 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 122.17 0.188 . . . . 0.0 111.052 176.472 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TRP . . . . . 0.579 ' O ' ' HG2' ' A' ' 15' ' ' LYS . 63.1 p-90 -71.6 -31.71 67.22 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.304 -0.559 . . . . 0.0 111.131 -173.564 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 80.2 mt -58.84 -32.87 69.82 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.635 179.377 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 22.4 p -92.41 -17.37 24.69 Favored 'General case' 0 C--N 1.326 -0.429 0 N-CA-C 112.103 0.409 . . . . 0.0 112.103 178.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -97.04 -29.3 13.72 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 112.987 0.736 . . . . 0.0 112.987 -171.37 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LYS . . . . . 0.579 ' HG2' ' O ' ' A' ' 11' ' ' TRP . 1.4 mmmp? -73.04 -12.24 60.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.678 0.751 . . . . 0.0 110.115 178.782 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 3.0 t -73.91 125.06 90.59 Favored Pre-proline 0 C--N 1.311 -1.074 0 CA-C-N 114.461 -1.245 . . . . 0.0 110.496 -177.841 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -60.19 140.86 94.31 Favored 'Trans proline' 0 N--CA 1.462 -0.364 0 C-N-CA 122.383 2.055 . . . . 0.0 111.267 175.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 57.6 mt -84.57 79.27 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.32 -0.71 0 CA-C-O 121.695 0.759 . . . . 0.0 109.792 -179.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -78.12 -3.84 44.42 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 115.319 -0.855 . . . . 0.0 110.998 -179.587 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.424 ' HD3' ' H ' ' A' ' 20' ' ' ARG . 0.1 OUTLIER -87.71 122.99 70.06 Favored Pre-proline 0 C--N 1.325 -0.459 0 N-CA-C 109.737 -0.468 . . . . 0.0 109.737 179.294 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PRO . . . . . . . . . . . . . 21.7 Cg_exo -62.76 124.88 14.88 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.8 2.333 . . . . 0.0 111.969 178.317 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 C--O 1.25 1.114 0 CA-C-O 118.316 -0.849 . . . . 0.0 110.964 179.596 . . . . . . . . 0 0 . 1 stop_ save_