data_2li9_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 2li9 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.12 -19.78 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 114.155 172.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.27 -11.12 60.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -166.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -59.18 -18.86 40.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.792 1.237 . . . . 0.0 112.581 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.14 -15.97 2.0 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.148 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 31.4 t60 -95.31 121.24 36.77 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.935 1.368 . . . . 0.0 112.172 -173.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -62.71 1.21 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.578 1.951 . . . . 0.0 108.339 165.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -147.48 -128.52 0.06 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.92 1.688 . . . . 0.0 107.49 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.97 16.67 0.85 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-O 117.438 -1.757 . . . . 0.0 114.786 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -79.7 -24.57 41.63 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.659 1.73 . . . . 0.0 115.404 -167.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -159.08 -54.71 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.473 1.509 . . . . 0.0 107.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.01 129.61 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 145.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -85.96 156.37 20.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.411 0.685 . . . . 0.0 109.638 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 6.0 m-70 -36.79 127.97 0.86 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.108 2.163 . . . . 0.0 112.171 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.76 -23.59 14.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.132 1.373 . . . . 0.0 112.182 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.067 0.947 . . . . 0.0 110.049 -176.049 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 121.668 0.747 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.65 -7.44 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.018 2.127 . . . . 0.0 110.957 166.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -56.74 -26.99 58.51 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 127.821 2.448 . . . . 0.0 113.977 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -56.8 -26.14 57.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.856 1.262 . . . . 0.0 113.24 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.22 -2.95 6.34 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.679 1.609 . . . . 0.0 112.716 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -102.07 120.61 40.72 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.363 1.582 . . . . 0.0 109.865 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.27 -30.18 6.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.328 2.251 . . . . 0.0 110.535 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 89.1 p -177.94 -134.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.007 2.523 . . . . 0.0 107.284 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.97 10.62 4.67 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.29 -1.283 . . . . 0.0 113.216 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.68 -12.84 30.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -170.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -162.01 -54.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.451 1.1 . . . . 0.0 108.316 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.18 145.6 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 147.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -78.18 177.25 8.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.758 0.708 . . . . 0.0 110.137 165.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.11 130.73 30.9 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.316 1.447 . . . . 0.0 111.685 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -108.39 -36.32 6.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.561 1.545 . . . . 0.0 110.095 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 tttp . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.886 1.274 . . . . 0.0 110.998 166.806 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.54 -21.72 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.585 -1.198 . . . . 0.0 113.869 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.48 -21.24 66.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.438 1.095 . . . . 0.0 113.248 -166.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -52.1 -25.48 8.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.03 1.332 . . . . 0.0 113.206 168.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.23 10.61 4.42 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-O 117.427 -1.763 . . . . 0.0 113.658 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -124.03 135.05 53.34 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 119.442 1.621 . . . . 0.0 111.449 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -125.15 -28.35 3.42 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.2 1.4 . . . . 0.0 111.66 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -167.12 -146.94 0.08 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.576 1.55 . . . . 0.0 108.442 -167.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.47 20.9 2.84 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-O 116.994 -2.003 . . . . 0.0 113.921 170.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -88.84 -14.66 36.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.08 -53.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.406 2.283 . . . . 0.0 106.651 -177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -40.32 135.58 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 109.004 135.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -91.69 172.34 8.55 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.542 1.064 . . . . 0.0 110.003 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.42 127.39 24.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.13 0.972 . . . . 0.0 110.674 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -96.73 177.37 5.67 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.266 1.026 . . . . 0.0 110.983 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 CA--C 1.536 0.423 0 C-N-CA 125.229 1.411 . . . . 0.0 108.224 -176.335 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 121.189 0.518 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.3 -9.42 1.49 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.831 1.252 . . . . 0.0 111.742 161.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.06 -25.53 61.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.08 2.152 . . . . 0.0 113.098 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -52.24 -26.91 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.036 1.335 . . . . 0.0 113.888 172.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 16.64 3.36 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 116.806 -2.108 . . . . 0.0 112.602 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -115.84 117.48 30.33 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 108.187 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.15 -45.76 5.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.885 1.274 . . . . 0.0 108.541 164.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -159.75 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.624 1.97 . . . . 0.0 107.653 165.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.63 24.12 5.4 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.509 -1.161 . . . . 0.0 113.27 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -124.36 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.141 1.776 . . . . 0.0 111.471 173.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -26.61 63.91 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.925 1.693 . . . . 0.0 113.26 -174.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.97 141.27 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 155.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -72.76 177.29 4.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.336 1.055 . . . . 0.0 111.654 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -49.72 125.13 10.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 126.988 2.115 . . . . 0.0 112.145 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -103.6 123.17 46.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.922 1.689 . . . . 0.0 108.299 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 pttm . . . . . 0 CA--C 1.527 0.089 0 C-N-CA 123.975 0.91 . . . . 0.0 110.01 -169.231 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.975 0.417 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.34 -25.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.249 1.419 . . . . 0.0 112.484 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.55 6.17 9.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.956 1.703 . . . . 0.0 114.058 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -66.91 -18.26 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.733 0.813 . . . . 0.0 112.178 157.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.33 21.38 0.95 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.616 1.579 . . . . 0.0 113.439 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -120.92 124.4 44.85 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 118.91 1.355 . . . . 0.0 112.04 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -107.96 168.32 9.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.305 1.842 . . . . 0.0 108.096 146.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -41.34 -67.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.878 1.671 . . . . 0.0 114.573 -167.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 13.71 73.76 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 117.449 -1.751 . . . . 0.0 115.473 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -72.16 -18.47 61.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -165.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -161.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.474 1.488 . . . . 0.0 110.416 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.76 130.35 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 145.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.65 -176.33 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.522 1.129 . . . . 0.0 110.747 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -52.66 135.99 33.83 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -120.27 121.71 39.27 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.666 1.586 . . . . 0.0 106.793 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.519 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 121.545 0.688 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 -2.62 0.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.095 1.758 . . . . 0.0 111.977 168.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -63.63 -22.21 66.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.477 1.511 . . . . 0.0 113.489 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -59.34 -14.27 11.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.541 1.536 . . . . 0.0 114.453 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.45 -1.6 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.654 1.121 . . . . 0.0 113.004 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -94.98 118.05 31.17 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.889 1.344 . . . . 0.0 110.754 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -115.89 -24.27 8.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 109.796 150.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -167.86 -126.83 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.409 1.883 . . . . 0.0 109.615 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.52 15.26 9.69 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 117.985 -1.453 . . . . 0.0 112.667 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -12.74 18.47 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -171.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -35.59 0.23 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.449 1.477 . . . . 0.0 111.641 170.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.22 150.12 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 142.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -86.64 174.36 8.93 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.829 . . . . 0.0 110.69 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.47 110.3 1.91 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -73.55 -29.82 62.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.736 1.214 . . . . 0.0 113.212 -160.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.1 tttt . . . . . 0 C--N 1.343 0.318 0 C-N-CA 123.648 0.779 . . . . 0.0 109.969 -177.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.13 -27.62 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.944 1.697 . . . . 0.0 112.938 173.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -79.09 4.74 13.73 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -59.59 -29.24 67.83 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.302 0.641 . . . . 0.0 111.441 160.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.15 -21.1 2.12 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.616 1.579 . . . . 0.0 112.805 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -86.07 102.33 13.74 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.961 1.381 . . . . 0.0 110.142 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.43 -64.7 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.151 1.38 . . . . 0.0 107.647 156.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 -84.85 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 107.416 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 43.11 4.45 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.032 1.301 . . . . 0.0 112.883 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.79 -18.51 43.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -154.03 -48.58 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.965 1.257 . . . . 0.0 110.228 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.07 144.36 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 145.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -70.13 177.97 3.0 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.083 0.856 . . . . 0.0 110.6 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -48.42 115.11 1.11 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.715 0.806 . . . . 0.0 109.553 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.01 -25.1 37.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.69 0.796 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 CA--C 1.536 0.408 0 C-N-CA 126.112 1.765 . . . . 0.0 110.565 178.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 122.167 0.984 . . . . 0.0 113.422 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.79 -19.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.848 2.059 . . . . 0.0 111.305 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.31 -18.63 11.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.843 2.057 . . . . 0.0 113.44 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -57.27 -26.84 61.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.297 1.439 . . . . 0.0 113.218 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.45 -15.01 1.48 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.968 1.27 . . . . 0.0 113.183 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' B' ' 8' ' ' SER . 1.7 t60 -70.92 122.83 20.69 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.693 1.246 . . . . 0.0 109.951 -171.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.87 -71.72 0.38 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.709 1.203 . . . . 0.0 108.122 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CE1' ' B' ' 6' ' ' HIS . 2.7 m -163.5 -81.58 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.721 2.408 . . . . 0.0 106.097 166.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 37.09 41.09 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.602 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.22 -31.51 11.69 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -107.51 -53.27 2.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.205 1.366 . . . . 0.0 110.416 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -88.98 161.32 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 125.788 1.635 . . . . 0.0 106.875 154.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 174.03 1.24 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.312 0.645 . . . . 0.0 112.454 172.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -50.47 138.95 16.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.782 1.233 . . . . 0.0 110.511 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -116.2 -25.09 7.71 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 118.892 0.769 . . . . 0.0 110.616 -167.523 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 121.609 0.719 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -18.23 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.91 -16.49 64.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.672 1.189 . . . . 0.0 113.533 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -58.2 -20.61 42.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.427 1.491 . . . . 0.0 113.031 167.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 19.08 3.52 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.792 2.139 . . . . 0.0 112.705 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -137.67 138.09 39.06 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.817 1.247 . . . . 0.0 111.481 -177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.471 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 9.8 p-10 -127.48 -29.52 2.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.616 1.967 . . . . 0.0 111.502 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -168.23 -144.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.27 1.028 . . . . 0.0 109.278 -161.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.06 11.01 28.92 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.7 -1.056 . . . . 0.0 113.054 -176.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -91.86 -22.75 19.93 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.446 1.623 . . . . 0.0 115.274 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -44.22 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.506 1.123 . . . . 0.0 109.488 160.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.51 141.39 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 147.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -178.29 2.22 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 122.218 -0.301 . . . . 0.0 110.23 168.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -55.6 122.64 11.8 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.339 1.056 . . . . 0.0 109.176 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -81.44 -22.25 38.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.553 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 7' ' ' ASP . 49.8 mtmt . . . . . 0 C--N 1.348 0.505 0 C-N-CA 124.163 0.985 . . . . 0.0 109.379 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.822 0.82 . . . . 0.0 111.742 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -15.19 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.908 1.683 . . . . 0.0 112.025 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.78 -13.87 61.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.74 2.016 . . . . 0.0 113.519 -170.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -61.76 -31.75 71.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.107 . . . . 0.0 112.747 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.75 -28.49 4.21 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.496 1.522 . . . . 0.0 112.043 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -85.14 111.18 19.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.86 1.264 . . . . 0.0 109.752 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -108.39 -25.29 11.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.671 1.988 . . . . 0.0 110.363 169.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.442 ' HG ' HE21 ' B' ' 15' ' ' GLN . 84.9 p -174.86 -141.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.196 2.598 . . . . 0.0 107.876 -175.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.03 6.17 1.51 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-O 117.396 -1.78 . . . . 0.0 115.303 160.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.99 -68.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.628 1.714 . . . . 0.0 113.278 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -115.68 -59.68 1.97 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.22 1.408 . . . . 0.0 108.446 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.37 129.9 22.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.357 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 152.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -79.46 -158.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.747 0.819 . . . . 0.0 110.4 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -66.71 119.86 12.51 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.623 -0.673 . . . . 0.0 109.489 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . 0.442 HE21 ' HG ' ' B' ' 8' ' ' SER . 45.3 mt-30 -94.88 137.93 33.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.397 1.479 . . . . 0.0 108.625 -176.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -160.092 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 80.64 -14.7 0.81 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 129.233 3.013 . . . . 0.0 114.205 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -66.61 -12.0 56.04 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.973 1.26 . . . . 0.0 113.734 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -57.34 -26.38 60.88 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.772 0.829 . . . . 0.0 112.744 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.11 -8.11 3.82 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.55 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -102.6 129.13 49.07 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.275 1.43 . . . . 0.0 109.857 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.01 -47.19 3.61 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.299 1.439 . . . . 0.0 108.552 162.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p -158.87 -130.42 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 129.631 3.172 . . . . 0.0 104.146 -175.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.08 32.89 0.76 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.275 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.73 -49.09 16.84 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 -38.01 1.22 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.348 1.431 . . . . 0.0 110.819 172.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 147.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -86.26 -174.84 5.25 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.692 0.678 . . . . 0.0 110.505 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -57.14 126.23 26.26 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.028 1.731 . . . . 0.0 111.285 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -103.72 29.16 5.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 112.004 -170.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 pttt . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.939 0.876 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.34 -34.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.166 2.186 . . . . 0.0 110.477 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.32 -2.59 25.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.926 2.09 . . . . 0.0 114.763 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -49.42 -28.97 5.72 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.86 1.264 . . . . 0.0 112.981 163.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.87 20.27 0.36 Allowed Glycine 0 CA--C 1.528 0.871 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.447 165.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -89.1 133.68 34.29 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.09 1.445 . . . . 0.0 110.312 166.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 -23.97 1.55 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.314 2.246 . . . . 0.0 110.536 169.542 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -174.21 -130.23 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.099 2.56 . . . . 0.0 105.812 -167.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.64 11.17 21.86 Favored Glycine 0 C--O 1.219 -0.842 0 CA-C-O 118.069 -1.406 . . . . 0.0 113.191 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -25.76 34.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.963 1.382 . . . . 0.0 113.831 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -153.4 -62.48 0.14 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.701 1.2 . . . . 0.0 108.189 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.75 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 147.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -69.48 177.68 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.799 0.839 . . . . 0.0 110.663 170.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -59.25 126.96 29.79 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.759 0.824 . . . . 0.0 110.903 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -99.51 -7.16 26.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.913 0.885 . . . . 0.0 111.814 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt . . . . . 0 C--N 1.344 0.369 0 C-N-CA 125.422 1.489 . . . . 0.0 110.413 172.403 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.68 -14.63 0.06 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.19 -11.59 59.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.31 0.959 . . . . 0.0 113.55 -169.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -62.02 -20.59 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.534 1.133 . . . . 0.0 111.771 165.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.85 26.3 3.3 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.364 1.935 . . . . 0.0 112.692 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -148.4 115.93 6.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.798 1.239 . . . . 0.0 109.18 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -109.77 -26.36 9.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.237 1.415 . . . . 0.0 112.136 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -175.91 -158.7 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.487 2.315 . . . . 0.0 108.35 -170.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.79 33.6 0.51 Allowed Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.346 -1.252 . . . . 0.0 114.741 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -92.78 -21.4 19.95 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.898 1.349 . . . . 0.0 114.306 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -170.48 -60.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.379 2.272 . . . . 0.0 106.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.7 135.78 22.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 149.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -75.9 -170.07 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.519 1.128 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -56.6 139.45 49.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.655 0.782 . . . . 0.0 109.231 164.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -122.39 -3.45 8.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.811 1.244 . . . . 0.0 111.591 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 tttp . . . . . 0 C--N 1.349 0.569 0 CA-C-N 119.297 0.953 . . . . 0.0 113.075 168.311 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.565 0.698 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.07 -8.56 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.128 1.371 . . . . 0.0 112.951 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.45 -14.49 62.27 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 120.054 1.297 . . . . 0.0 113.593 -174.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -58.89 -28.92 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.337 1.055 . . . . 0.0 113.005 168.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.83 4.31 8.53 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.751 1.643 . . . . 0.0 113.436 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -117.28 128.66 55.28 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.704 1.602 . . . . 0.0 109.468 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -121.59 -37.18 2.93 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.057 1.343 . . . . 0.0 110.998 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -157.07 -122.75 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.162 1.785 . . . . 0.0 108.106 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.57 9.51 23.13 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 117.887 -1.507 . . . . 0.0 114.949 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -88.23 0.26 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.543 1.672 . . . . 0.0 110.196 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -41.6 20.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.005 1.73 . . . . 0.0 110.838 174.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.01 162.54 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 108.883 164.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -82.24 178.59 8.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.684 -0.635 . . . . 0.0 111.228 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -63.17 131.71 49.36 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 151.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.54 -17.56 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.465 0.32 0 CA-C-N 119.702 1.137 . . . . 0.0 110.75 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 121.089 0.471 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.38 -27.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -83.19 8.85 12.02 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.371 1.068 . . . . 0.0 113.714 -167.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -65.57 -27.18 68.25 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.939 0.896 . . . . 0.0 111.255 158.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.68 26.79 3.8 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.354 1.931 . . . . 0.0 112.351 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -152.32 143.29 23.06 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.533 1.167 . . . . 0.0 112.321 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.28 135.08 10.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.936 1.694 . . . . 0.0 107.336 149.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m 54.77 -138.65 1.07 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.783 1.233 . . . . 0.0 111.026 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.27 4.43 28.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.682 171.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -79.76 -21.63 44.19 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.73 1.765 . . . . 0.0 115.485 -170.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -163.34 -51.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.645 1.578 . . . . 0.0 107.811 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.88 133.77 25.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 147.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -76.5 -176.84 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.504 0.322 . . . . 0.0 110.169 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -55.74 131.75 47.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.96 0.904 . . . . 0.0 112.312 -171.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -103.09 175.18 5.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.694 1.998 . . . . 0.0 109.81 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.205 1.002 . . . . 0.0 109.16 -170.591 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 122.016 0.913 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.62 -18.94 0.16 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.176 1.79 . . . . 0.0 111.867 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.45 -13.31 60.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.257 2.223 . . . . 0.0 114.338 -164.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -55.63 -25.63 39.98 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.207 1.403 . . . . 0.0 113.302 166.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.59 2.12 1.67 Allowed Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.156 1.36 . . . . 0.0 113.893 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -99.72 132.03 45.32 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.073 1.349 . . . . 0.0 109.883 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -119.46 -35.6 3.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.265 1.826 . . . . 0.0 109.416 164.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.4 p -167.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.901 2.48 . . . . 0.0 107.067 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.37 8.88 2.78 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.324 -1.264 . . . . 0.0 114.492 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -21.31 24.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -166.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.75 -34.89 0.08 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.299 1.409 . . . . 0.0 110.985 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.57 138.62 21.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 145.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -179.78 7.52 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.242 0.473 . . . . 0.0 110.874 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -61.39 133.24 55.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.442 1.097 . . . . 0.0 110.845 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -143.33 141.71 31.05 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.475 1.11 . . . . 0.0 108.506 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 110.13 -177.038 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.39 -30.8 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.02 -7.77 50.7 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -163.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -55.1 -22.23 15.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.667 1.187 . . . . 0.0 112.455 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.24 -13.64 1.31 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-O 118.101 -1.389 . . . . 0.0 113.143 163.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -84.17 90.95 7.59 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.579 1.69 . . . . 0.0 110.535 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.74 -31.02 36.11 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.207 1.403 . . . . 0.0 111.223 162.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -179.74 -170.86 0.17 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.547 3.139 . . . . 0.0 108.175 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.73 13.02 0.03 OUTLIER Glycine 0 C--N 1.342 0.909 0 CA-C-O 117.202 -1.888 . . . . 0.0 116.42 164.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.54 -24.24 45.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.378 2.089 . . . . 0.0 115.717 -171.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -160.61 -56.57 0.05 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.399 1.479 . . . . 0.0 107.749 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -56.82 130.29 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 143.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.76 177.92 7.21 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 111.171 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -47.35 137.18 8.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.006 150.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -141.19 1.78 1.64 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.943 1.297 . . . . 0.0 112.201 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 tttt . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 125.071 1.349 . . . . 0.0 108.684 171.022 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.89 -6.87 0.16 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.123 1.769 . . . . 0.0 113.106 170.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.54 -21.75 65.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 120.067 1.303 . . . . 0.0 113.385 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -58.75 -26.85 64.38 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.193 0.997 . . . . 0.0 112.888 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.65 19.29 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.746 1.641 . . . . 0.0 112.286 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -135.17 125.32 26.09 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -138.15 -63.84 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 128.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.1 m -130.07 169.49 15.23 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-O 121.542 0.687 . . . . 0.0 112.469 -166.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.31 78.75 1.43 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 107.249 -2.341 . . . . 0.0 107.249 -160.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.76 -47.94 3.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.59 -1.195 . . . . 0.0 113.883 -167.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -30.46 13.21 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.998 1.272 . . . . 0.0 111.479 173.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.99 158.07 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.06 1.344 . . . . 0.0 107.919 148.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -66.3 168.7 8.34 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.172 -0.955 . . . . 0.0 110.805 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.06 139.44 46.93 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.653 1.181 . . . . 0.0 112.914 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -134.9 121.02 19.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.089 1.355 . . . . 0.0 107.729 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 CA--C 1.534 0.353 0 C-N-CA 124.753 1.221 . . . . 0.0 110.026 179.044 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 121.763 0.792 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.67 -30.05 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.063 0.945 . . . . 0.0 112.615 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.35 0.93 23.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.16 1.384 . . . . 0.0 113.293 -170.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -59.4 -17.94 34.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.432 1.093 . . . . 0.0 112.628 161.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.95 -2.81 0.84 Allowed Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.579 -1.678 . . . . 0.0 113.078 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -103.51 112.79 25.86 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 119.515 1.657 . . . . 0.0 111.999 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -103.69 165.23 11.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.125 143.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -59.12 -41.66 88.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -155.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.7 14.27 81.48 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.125 -1.375 . . . . 0.0 116.35 164.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -76.73 -10.51 59.43 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -169.82 -60.41 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.323 1.449 . . . . 0.0 107.541 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.72 129.23 20.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 149.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -73.53 -179.88 3.73 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.768 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -51.06 121.19 5.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 157.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.92 140.43 29.62 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.054 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.598 0.713 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.2 -11.85 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.084 1.754 . . . . 0.0 111.888 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.92 -16.71 63.62 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.746 2.418 . . . . 0.0 113.894 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -64.35 -27.07 68.77 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.321 1.449 . . . . 0.0 113.152 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.81 0.66 9.24 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.213 1.863 . . . . 0.0 112.211 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -114.52 118.85 34.91 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 125.312 1.445 . . . . 0.0 109.397 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.22 -20.91 11.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.94 1.296 . . . . 0.0 110.449 160.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -174.89 -143.03 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.54 2.336 . . . . 0.0 108.715 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.48 8.68 1.27 Allowed Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.568 -1.129 . . . . 0.0 113.353 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -127.41 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.299 2.24 . . . . 0.0 111.476 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -25.13 66.97 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.713 1.597 . . . . 0.0 113.716 -173.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.86 134.5 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 154.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -76.24 163.04 27.43 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.323 1.049 . . . . 0.0 112.086 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -46.59 128.79 10.71 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.01 0.924 . . . . 0.0 110.753 165.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -173.01 149.84 1.92 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.37 2.268 . . . . 0.0 108.53 -175.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 pttp . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.957 0.884 . . . . 0.0 109.726 -179.078 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.7 t0 . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 120.482 0.182 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 95.53 -13.17 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.081 3.352 . . . . 0.0 113.388 174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.19 -21.72 66.8 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -169.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -58.84 -15.15 11.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.297 1.839 . . . . 0.0 114.325 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.28 12.14 0.91 Allowed Glycine 0 CA--C 1.527 0.821 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.738 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 50.3 t60 -91.32 111.11 22.46 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 118.74 1.27 . . . . 0.0 111.73 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.74 172.44 8.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.837 139.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -81.13 -22.35 39.13 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 117.501 -1.238 . . . . 0.0 114.256 -168.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.69 42.56 52.5 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-O 118.461 -1.188 . . . . 0.0 115.442 158.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -79.12 -14.55 59.05 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -164.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.24 -64.0 0.12 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.7 128.62 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 144.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -167.14 0.27 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.333 0.653 . . . . 0.0 111.685 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 3.7 m170 -53.76 139.79 31.74 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.746 -0.596 . . . . 0.0 111.427 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -131.68 106.84 8.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.48 1.512 . . . . 0.0 107.34 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 124.938 1.295 . . . . 0.0 112.812 -171.552 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.89 -29.76 4.89 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.16 1.384 . . . . 0.0 111.705 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -64.21 -20.7 66.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.67 1.988 . . . . 0.0 113.404 -173.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -57.36 -30.91 65.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.007 1.323 . . . . 0.0 112.827 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.49 22.04 4.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.494 1.997 . . . . 0.0 111.439 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -130.61 118.84 21.59 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.344 1.457 . . . . 0.0 108.203 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.13 -37.49 9.3 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 156.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -168.83 -85.04 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.539 1.535 . . . . 0.0 110.669 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.95 46.61 28.2 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -159.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -73.27 -104.9 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.497 2.319 . . . . 0.0 111.656 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -29.21 23.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.121 0.873 . . . . 0.0 110.472 162.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.84 161.91 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.802 1.641 . . . . 0.0 108.824 150.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.41 165.76 11.39 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.512 -0.743 . . . . 0.0 110.672 173.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -58.4 133.92 56.18 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.445 0.698 . . . . 0.0 109.189 165.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -141.03 155.44 46.18 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.749 1.22 . . . . 0.0 109.843 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttm . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 124.295 1.038 . . . . 0.0 110.118 -175.728 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 CA--C 1.532 0.252 0 CA-C-O 121.629 0.728 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.01 -19.86 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.47 1.908 . . . . 0.0 112.12 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.64 -6.93 52.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -163.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -63.37 -29.38 70.7 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.299 1.039 . . . . 0.0 111.596 168.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.91 -3.29 12.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.643 1.592 . . . . 0.0 113.22 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -115.84 124.14 49.94 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 118.957 1.379 . . . . 0.0 110.085 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.67 -11.89 8.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.156 1.782 . . . . 0.0 112.396 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p 172.51 -176.84 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.603 3.161 . . . . 0.0 108.544 -168.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.42 18.98 0.04 OUTLIER Glycine 0 CA--C 1.528 0.867 0 CA-C-O 118.884 -0.953 . . . . 0.0 114.634 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -104.55 -16.02 15.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.954 1.702 . . . . 0.0 113.345 -167.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -166.44 -55.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.244 1.818 . . . . 0.0 107.975 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.5 137.05 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 147.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 ptt-85 -80.04 -13.63 59.16 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 141.97 149.63 0.0 OUTLIER 'General case' 0 C--O 1.237 0.422 1 C-N-CA 132.156 4.182 . . . . 0.0 102.846 -159.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -109.01 -19.28 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.316 154.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tptt . . . . . 0 CA--C 1.535 0.4 0 C-N-CA 124.243 1.017 . . . . 0.0 108.791 168.803 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.792 0.806 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 -14.71 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.201 2.2 . . . . 0.0 111.257 170.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -63.12 -22.61 66.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.167 2.187 . . . . 0.0 113.286 -172.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -51.72 -32.14 29.08 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.901 1.28 . . . . 0.0 112.471 169.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.72 5.46 6.56 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.881 1.705 . . . . 0.0 113.664 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -122.58 138.24 54.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.881 1.34 . . . . 0.0 111.722 -174.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -132.79 -28.77 1.56 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.128 153.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -152.82 -158.14 0.86 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.442 1.897 . . . . 0.0 109.466 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.9 -16.3 0.81 Allowed Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.975 -0.903 . . . . 0.0 114.416 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -57.02 -43.15 81.58 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.46 1.904 . . . . 0.0 114.502 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -150.52 -42.44 0.13 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.784 0.834 . . . . 0.0 110.284 -174.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -67.94 129.94 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 144.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -69.31 176.19 3.49 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.92 0.888 . . . . 0.0 109.686 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.38 125.14 22.42 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 118.983 0.811 . . . . 0.0 108.992 172.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.15 -2.92 46.78 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.085 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.54 1.136 . . . . 0.0 111.138 -158.128 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.946 0.403 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 -9.95 0.07 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.612 1.965 . . . . 0.0 112.423 167.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.4 -10.86 58.06 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.422 1.489 . . . . 0.0 114.822 -167.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -53.33 -31.85 46.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.87 1.268 . . . . 0.0 112.615 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 -18.69 3.39 Favored Glycine 0 C--N 1.342 0.913 0 C-N-CA 125.168 1.365 . . . . 0.0 112.092 168.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -85.92 100.13 11.89 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 -174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -75.95 -79.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.41 153.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -145.56 -58.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 170.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.76 28.85 49.85 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 118.443 -1.199 . . . . 0.0 113.779 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -67.58 -22.06 65.39 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -166.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -163.14 -53.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.099 1.318 . . . . 0.0 108.109 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.63 126.16 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 145.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 177.78 1.1 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.44 1.096 . . . . 0.0 111.585 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -43.56 137.55 2.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.432 1.493 . . . . 0.0 112.591 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -136.89 153.16 50.82 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.552 1.141 . . . . 0.0 109.895 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 pttt . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 127.169 2.187 . . . . 0.0 111.385 -178.487 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 122.326 1.06 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.87 -17.33 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 128.62 2.768 . . . . 0.0 110.512 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -66.29 -12.9 59.2 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 127.032 2.133 . . . . 0.0 114.527 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -56.22 -35.02 66.85 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.003 0.82 . . . . 0.0 111.651 165.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.66 58.37 0.65 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 126.025 1.774 . . . . 0.0 109.005 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -164.28 137.43 5.11 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.006 1.322 . . . . 0.0 111.129 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.87 -28.84 1.74 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.172 1.389 . . . . 0.0 110.682 156.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -160.47 -127.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.445 1.498 . . . . 0.0 108.7 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.58 21.16 48.93 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.047 -1.418 . . . . 0.0 111.688 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -68.9 0.62 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 117.159 -1.401 . . . . 0.0 112.273 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -45.49 9.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.436 1.471 . . . . 0.0 111.03 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.59 164.61 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.819 1.248 . . . . 0.0 108.366 156.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.9 171.98 8.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.897 0.771 . . . . 0.0 110.501 166.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . 0.417 ' HD1' ' NZ ' ' B' ' 16' ' ' LYS . 25.8 m-70 -65.86 121.08 14.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 159.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -106.03 -2.04 23.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.066 -173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . 0.417 ' NZ ' ' HD1' ' B' ' 14' ' ' HIS . 25.6 pttm . . . . . 0 C--N 1.345 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 112.951 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 97.44 -15.08 0.06 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 130.236 3.415 . . . . 0.0 114.259 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.39 -14.76 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.862 1.21 . . . . 0.0 114.128 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -60.18 -36.12 76.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.209 0.913 . . . . 0.0 112.204 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.29 19.07 11.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.394 1.473 . . . . 0.0 112.521 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -137.3 138.72 40.32 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.74 1.27 . . . . 0.0 112.024 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -96.78 -103.9 0.17 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.181 2.592 . . . . 0.0 109.368 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -137.1 -57.4 0.71 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.633 1.973 . . . . 0.0 108.335 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.04 42.35 3.07 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.033 0.825 . . . . 0.0 113.717 169.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -75.93 -26.23 56.71 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -168.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -160.95 -55.76 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.644 1.178 . . . . 0.0 107.895 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.45 123.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 143.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -92.39 -39.93 11.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.454 -170.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.39 118.51 21.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.843 0.714 . . . . 0.0 109.27 164.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -82.03 174.11 11.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.391 1.876 . . . . 0.0 109.173 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -162.352 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 CA--C 1.546 0.799 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.93 -34.82 0.08 Allowed 'General case' 0 C--N 1.34 0.171 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.327 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.06 -5.72 23.71 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -55.5 -22.18 20.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.87 0.868 . . . . 0.0 113.052 164.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.25 -10.13 0.17 Allowed Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.646 -1.085 . . . . 0.0 114.059 172.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -74.06 107.95 6.57 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.159 1.479 . . . . 0.0 108.701 174.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.82 -46.49 7.84 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 152.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -159.79 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.685 2.394 . . . . 0.0 108.205 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.29 22.89 0.55 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.71 1.624 . . . . 0.0 114.428 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -9.0 58.32 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -169.49 -73.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 p -53.51 130.4 15.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 149.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -166.3 0.33 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 111.194 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -54.33 120.0 5.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 168.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -89.83 -21.32 22.63 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.37 1.468 . . . . 0.0 110.771 176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 126.684 1.994 . . . . 0.0 114.439 168.412 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.765 0.317 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.53 -48.37 0.02 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.669 0.788 . . . . 0.0 112.376 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.62 -6.57 57.36 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -154.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -52.62 -40.37 62.67 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.464 0.706 . . . . 0.0 111.062 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.61 0.13 4.55 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-O 117.908 -1.495 . . . . 0.0 114.005 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 74.2 t60 -78.87 94.85 5.26 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 119.19 1.495 . . . . 0.0 109.028 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -73.63 -160.44 0.09 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.834 2.054 . . . . 0.0 109.685 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -81.29 23.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.742 0.817 . . . . 0.0 111.804 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.8 4.2 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.647 2.07 . . . . 0.0 111.405 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.3 -10.13 28.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.725 1.61 . . . . 0.0 114.725 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -148.84 -48.61 0.15 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.695 1.198 . . . . 0.0 109.171 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.36 142.78 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 147.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -67.04 157.69 32.87 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.801 -0.562 . . . . 0.0 110.673 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 7.2 m-70 -50.36 113.93 1.0 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.483 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.46 -10.81 57.17 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.906 0.754 . . . . 0.0 112.506 -159.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 C--N 1.343 0.325 0 C-N-CA 125.293 1.437 . . . . 0.0 109.111 -178.074 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 t0 . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.18 -33.65 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.011 1.725 . . . . 0.0 113.476 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.08 -8.75 25.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -59.81 -24.51 64.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.834 0.743 . . . . 0.0 112.035 171.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.69 9.42 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.626 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -79.82 162.33 25.14 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.372 1.586 . . . . 0.0 111.786 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -172.34 -125.56 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.054 2.542 . . . . 0.0 107.611 -163.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -98.16 -70.48 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.139 0.975 . . . . 0.0 108.792 172.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.9 20.7 78.96 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 117.959 -1.467 . . . . 0.0 114.683 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -19.81 28.71 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -167.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.2 -36.0 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.948 1.299 . . . . 0.0 110.278 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.82 139.88 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 140.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -79.29 176.77 9.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.043 0.449 . . . . 0.0 110.442 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -50.92 131.26 26.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.805 0.842 . . . . 0.0 110.169 162.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -114.18 -28.37 7.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.116 1.366 . . . . 0.0 111.356 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mptt . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 125.106 1.362 . . . . 0.0 109.346 -172.181 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 173.67 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.509 1.924 . . . . 0.0 113.731 171.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.28 -30.5 64.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -156.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -55.54 -39.68 70.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.448 1.899 . . . . 0.0 114.068 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.63 12.66 18.25 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.588 -1.118 . . . . 0.0 112.921 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.463 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 81.7 t60 -96.18 144.38 26.45 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.302 1.041 . . . . 0.0 113.541 -169.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -146.52 164.7 31.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.699 -1.591 . . . . 0.0 109.205 156.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 -9.71 45.95 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -145.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.5 -10.75 30.64 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 117.102 1.601 . . . . 0.0 117.102 160.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -18.3 43.52 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.931 1.866 . . . . 0.0 115.919 -165.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -169.95 -48.73 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.626 1.57 . . . . 0.0 108.678 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -67.85 131.33 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 144.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -99.44 -97.13 0.24 Allowed 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.463 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 4.1 m-70 -119.67 141.16 49.61 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 161.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -147.03 154.85 41.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.792 1.637 . . . . 0.0 110.051 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? . . . . . 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.536 173.278 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.001 0.429 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.83 -28.8 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.028 1.331 . . . . 0.0 112.768 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.6 -4.7 28.55 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -59.15 -28.69 66.82 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.534 -0.729 . . . . 0.0 112.571 164.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.31 1.23 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.799 1.666 . . . . 0.0 113.349 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -101.31 126.23 48.03 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.623 1.212 . . . . 0.0 109.677 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -110.1 -38.68 5.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.467 1.907 . . . . 0.0 109.177 161.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -168.62 -81.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.357 1.863 . . . . 0.0 109.114 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.96 40.92 8.99 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.474 0.579 . . . . 0.0 112.437 -177.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -71.83 -28.8 63.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -166.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.01 -59.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.648 1.579 . . . . 0.0 107.458 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -61.39 134.45 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 146.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -69.91 -178.33 1.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.125 0.42 . . . . 0.0 111.308 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -52.57 128.6 26.57 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.092 0.957 . . . . 0.0 111.388 -172.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -102.45 -17.78 15.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.227 -167.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 124.61 1.164 . . . . 0.0 114.027 178.554 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.88 0.371 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 87.44 -9.69 0.58 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 129.185 2.994 . . . . 0.0 114.099 170.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.71 -19.38 65.74 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -59.92 -35.92 75.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.177 1.391 . . . . 0.0 113.876 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.2 -0.82 10.47 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.355 1.455 . . . . 0.0 112.909 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -85.74 150.82 24.31 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.324 1.062 . . . . 0.0 110.825 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -175.13 -163.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.102 -147.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p -48.37 -54.35 14.28 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 123.885 0.874 . . . . 0.0 110.04 167.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.65 2.22 20.85 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.271 164.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.46 3.04 42.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.191 1.495 . . . . 0.0 114.958 -162.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -155.16 -54.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.122 1.369 . . . . 0.0 107.49 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.9 144.52 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.558 1.143 . . . . 0.0 108.968 150.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.3 -22.86 24.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.923 -170.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 171.2 152.21 0.05 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.628 2.771 . . . . 0.0 108.849 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -138.1 110.41 7.4 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.554 1.142 . . . . 0.0 109.773 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.4 mttt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 163.207 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 120.947 0.403 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.65 -16.56 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.002 1.321 . . . . 0.0 112.715 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.45 -11.53 59.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.19 1.396 . . . . 0.0 114.42 -170.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -58.93 -24.38 62.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.062 0.945 . . . . 0.0 111.961 165.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.61 35.84 1.9 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.461 1.981 . . . . 0.0 111.164 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -142.68 135.75 28.36 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.494 1.147 . . . . 0.0 112.001 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -177.53 -36.1 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.277 3.031 . . . . 0.0 108.458 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -99.52 176.79 5.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.444 1.498 . . . . 0.0 110.311 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.99 83.58 1.29 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 109.214 -1.555 . . . . 0.0 109.214 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.21 -25.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.742 1.617 . . . . 0.0 112.793 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -171.91 -50.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.862 2.465 . . . . 0.0 107.077 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.75 135.51 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 146.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 172.13 13.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.587 0.63 . . . . 0.0 109.543 166.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -57.69 128.58 37.79 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.805 -0.559 . . . . 0.0 111.14 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -82.61 133.61 35.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.321 1.448 . . . . 0.0 108.103 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttt . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 128.041 2.536 . . . . 0.0 109.866 -166.87 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 -46.11 0.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.644 1.177 . . . . 0.0 111.192 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.77 -19.25 62.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.522 1.929 . . . . 0.0 114.354 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -57.04 -25.7 59.06 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.938 1.695 . . . . 0.0 113.487 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.47 35.9 2.01 Favored Glycine 0 C--N 1.34 0.798 0 C-N-CA 124.939 1.256 . . . . 0.0 111.524 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 13.1 t60 -138.22 149.29 45.65 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 122.924 1.345 . . . . 0.0 113.95 -173.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -164.23 -163.5 0.77 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.753 3.221 . . . . 0.0 107.856 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 m -95.01 -26.98 15.85 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.075 -1.015 . . . . 0.0 113.439 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.7 21.04 60.45 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-O 118.288 -1.284 . . . . 0.0 115.899 162.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -16.46 57.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -167.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 -49.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.085 1.766 . . . . 0.0 111.099 167.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.21 128.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 146.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -89.26 179.94 6.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 0.0 109.456 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -43.32 121.96 2.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.061 1.344 . . . . 0.0 112.144 178.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.58 163.93 12.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.334 1.454 . . . . 0.0 108.144 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 123.568 0.747 . . . . 0.0 109.339 178.619 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.87 -19.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.554 1.542 . . . . 0.0 113.42 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -75.45 -8.06 55.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.857 1.263 . . . . 0.0 114.269 -160.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -58.67 -20.36 47.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.758 1.623 . . . . 0.0 113.765 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.66 7.61 2.23 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 117.793 -1.56 . . . . 0.0 112.894 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -110.29 138.62 46.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.666 1.733 . . . . 0.0 111.661 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.91 -19.17 0.66 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.681 1.592 . . . . 0.0 111.339 160.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 p -164.45 -139.73 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.797 1.639 . . . . 0.0 110.017 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.77 7.09 8.22 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.937 1.256 . . . . 0.0 113.402 -173.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.71 -13.9 21.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -168.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -46.81 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.505 1.048 . . . . 0.0 109.816 165.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.54 136.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 146.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -90.88 169.77 10.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.827 0.451 . . . . 0.0 110.46 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -59.27 138.76 57.49 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.484 0.714 . . . . 0.0 111.01 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.44 158.75 32.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.432 1.093 . . . . 0.0 110.767 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttt . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 124.018 0.927 . . . . 0.0 110.724 -164.719 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.129 0.014 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.02 -5.35 0.12 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 129.858 3.263 . . . . 0.0 113.935 172.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -71.03 -7.9 49.59 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -66.89 -19.3 65.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.784 1.233 . . . . 0.0 112.719 169.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.26 14.04 4.87 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.638 1.59 . . . . 0.0 112.733 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -139.92 124.51 18.18 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.698 1.249 . . . . 0.0 111.255 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -76.83 -61.43 1.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -175.68 -45.71 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.444 2.298 . . . . 0.0 108.206 -167.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.11 8.92 87.19 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.107 -1.385 . . . . 0.0 115.515 162.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -80.31 -19.82 45.7 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -165.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -172.41 -55.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.034 2.134 . . . . 0.0 105.994 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.97 151.62 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 148.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.3 128.57 6.09 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-O 121.538 0.685 . . . . 0.0 111.969 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m170 58.87 40.02 23.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.575 2.35 . . . . 0.0 112.76 171.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -103.1 137.45 41.25 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.393 1.477 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.221 1.009 . . . . 0.0 110.865 176.383 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 t0 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.97 0.414 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.57 -34.64 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.373 1.069 . . . . 0.0 112.84 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.94 -15.56 63.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.26 1.024 . . . . 0.0 113.284 -172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -52.01 -24.55 6.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.849 1.26 . . . . 0.0 112.906 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.29 -6.0 1.97 Allowed Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.294 -1.837 . . . . 0.0 113.8 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -103.59 124.81 49.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.745 2.272 . . . . 0.0 112.208 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.91 -25.17 7.34 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.274 1.029 . . . . 0.0 110.317 147.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -162.86 -145.18 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.969 1.708 . . . . 0.0 110.056 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.4 19.18 1.73 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.298 1.428 . . . . 0.0 112.012 -168.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -114.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.192 1.797 . . . . 0.0 110.616 172.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -37.32 70.2 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.763 1.62 . . . . 0.0 112.283 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.04 140.07 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 160.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -78.69 -176.71 5.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.302 0.641 . . . . 0.0 110.726 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.64 118.79 6.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.224 1.01 . . . . 0.0 110.998 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -161.41 153.75 20.05 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.096 1.359 . . . . 0.0 110.504 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttm . . . . . 0 CA--C 1.538 0.485 0 C-N-CA 124.434 1.094 . . . . 0.0 108.961 -172.485 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.62 0.248 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.49 -20.36 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.041 1.736 . . . . 0.0 112.89 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.25 -23.02 66.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.482 1.513 . . . . 0.0 114.769 -164.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -54.68 -43.83 72.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.486 1.514 . . . . 0.0 112.872 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.39 -6.85 10.37 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.961 1.267 . . . . 0.0 113.231 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -76.43 160.13 29.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.583 1.153 . . . . 0.0 110.833 172.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -160.86 -166.4 1.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.538 0.735 . . . . 0.0 112.572 -157.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.55 -23.46 22.0 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.53 15.4 66.17 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.693 160.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -126.51 -10.64 6.26 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.871 1.836 . . . . 0.0 115.343 -172.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -167.87 -49.19 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.72 1.608 . . . . 0.0 107.896 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 135.72 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 143.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -124.31 -177.53 3.82 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.653 1.181 . . . . 0.0 107.894 164.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.07 134.18 32.63 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.104 0.562 . . . . 0.0 110.78 -176.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.52 95.18 1.36 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 108.211 -174.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.085 1.354 . . . . 0.0 109.03 -156.68 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.76 -12.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.04 1.336 . . . . 0.0 112.822 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.99 -8.18 42.43 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.617 1.167 . . . . 0.0 114.015 -173.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.22 -23.91 66.92 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.655 0.782 . . . . 0.0 111.914 168.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.63 24.11 4.16 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.165 1.84 . . . . 0.0 112.503 173.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -143.98 137.62 27.85 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.594 1.697 . . . . 0.0 110.954 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -128.47 -21.93 3.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.238 1.015 . . . . 0.0 111.046 157.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 93.1 p -162.09 -134.46 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.343 1.057 . . . . 0.0 111.754 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.33 19.82 8.2 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.451 1.024 . . . . 0.0 111.802 -160.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -124.57 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.968 1.307 . . . . 0.0 110.164 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -31.58 72.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.161 1.346 . . . . 0.0 112.781 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.05 136.84 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 157.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -81.95 162.14 22.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.426 1.09 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 123.72 4.72 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.859 1.264 . . . . 0.0 112.865 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.33 -41.18 12.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.731 0.812 . . . . 0.0 112.061 -159.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 C--N 1.344 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 110.713 177.249 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -161.32 149.61 15.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.055 0.542 . . . . 0.0 112.232 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.12 -19.78 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 114.155 172.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.27 -11.12 60.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -166.581 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -59.18 -18.86 40.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.792 1.237 . . . . 0.0 112.581 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.14 -15.97 2.0 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.148 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.405 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 31.4 t60 -95.31 121.24 36.77 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.935 1.368 . . . . 0.0 112.172 -173.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -62.71 1.21 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.578 1.951 . . . . 0.0 108.339 165.696 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -147.48 -128.52 0.06 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.92 1.688 . . . . 0.0 107.49 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.97 16.67 0.85 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-O 117.438 -1.757 . . . . 0.0 114.786 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -79.7 -24.57 41.63 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.659 1.73 . . . . 0.0 115.404 -167.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -159.08 -54.71 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.473 1.509 . . . . 0.0 107.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.01 129.61 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 145.381 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -85.96 156.37 20.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.411 0.685 . . . . 0.0 109.638 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 6.0 m-70 -36.79 127.97 0.86 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.108 2.163 . . . . 0.0 112.171 178.497 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.76 -23.59 14.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.132 1.373 . . . . 0.0 112.182 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -81.29 91.92 6.29 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.067 0.947 . . . . 0.0 110.049 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 116.245 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -172.57 162.45 5.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.65 -7.44 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.018 2.127 . . . . 0.0 110.957 166.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -56.74 -26.99 58.51 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 127.821 2.448 . . . . 0.0 113.977 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -56.8 -26.14 57.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.856 1.262 . . . . 0.0 113.24 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.22 -2.95 6.34 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.679 1.609 . . . . 0.0 112.716 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -102.07 120.61 40.72 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.363 1.582 . . . . 0.0 109.865 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.27 -30.18 6.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.328 2.251 . . . . 0.0 110.535 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 89.1 p -177.94 -134.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.007 2.523 . . . . 0.0 107.284 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.97 10.62 4.67 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.29 -1.283 . . . . 0.0 113.216 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.68 -12.84 30.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -170.329 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -162.01 -54.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.451 1.1 . . . . 0.0 108.316 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.18 145.6 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 147.076 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -78.18 177.25 8.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.758 0.708 . . . . 0.0 110.137 165.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.11 130.73 30.9 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.316 1.447 . . . . 0.0 111.685 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -108.39 -36.32 6.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.561 1.545 . . . . 0.0 110.095 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -81.06 -18.64 45.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.886 1.274 . . . . 0.0 110.998 166.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 121.108 -0.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.5 t0 77.72 147.03 0.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 128.647 2.779 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.54 -21.72 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.585 -1.198 . . . . 0.0 113.869 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.48 -21.24 66.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.438 1.095 . . . . 0.0 113.248 -166.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -52.1 -25.48 8.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.03 1.332 . . . . 0.0 113.206 168.719 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.23 10.61 4.42 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-O 117.427 -1.763 . . . . 0.0 113.658 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -124.03 135.05 53.34 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 119.442 1.621 . . . . 0.0 111.449 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -125.15 -28.35 3.42 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.2 1.4 . . . . 0.0 111.66 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -167.12 -146.94 0.08 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.576 1.55 . . . . 0.0 108.442 -167.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.47 20.9 2.84 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-O 116.994 -2.003 . . . . 0.0 113.921 170.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -88.84 -14.66 36.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.08 -53.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.406 2.283 . . . . 0.0 106.651 -177.821 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -40.32 135.58 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 109.004 135.758 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -91.69 172.34 8.55 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.542 1.064 . . . . 0.0 110.003 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.42 127.39 24.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.13 0.972 . . . . 0.0 110.674 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -96.73 177.37 5.67 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.266 1.026 . . . . 0.0 110.983 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -127.46 -112.45 0.28 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.229 1.411 . . . . 0.0 108.224 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.021 0 CA-C-N 119.218 0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -168.55 161.8 11.74 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.343 1.457 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.3 -9.42 1.49 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.831 1.252 . . . . 0.0 111.742 161.085 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.06 -25.53 61.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.08 2.152 . . . . 0.0 113.098 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -52.24 -26.91 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.036 1.335 . . . . 0.0 113.888 172.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 16.64 3.36 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 116.806 -2.108 . . . . 0.0 112.602 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -115.84 117.48 30.33 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 108.187 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.15 -45.76 5.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.885 1.274 . . . . 0.0 108.541 164.778 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -159.75 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.624 1.97 . . . . 0.0 107.653 165.584 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.63 24.12 5.4 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.509 -1.161 . . . . 0.0 113.27 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -124.36 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.141 1.776 . . . . 0.0 111.471 173.209 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -26.61 63.91 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.925 1.693 . . . . 0.0 113.26 -174.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.97 141.27 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 155.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -72.76 177.29 4.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.336 1.055 . . . . 0.0 111.654 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -49.72 125.13 10.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 126.988 2.115 . . . . 0.0 112.145 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -103.6 123.17 46.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.922 1.689 . . . . 0.0 108.299 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -166.0 135.06 3.17 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.975 0.91 . . . . 0.0 110.01 -169.231 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 O-C-N 121.91 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -175.56 136.62 0.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.34 -25.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.249 1.419 . . . . 0.0 112.484 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.55 6.17 9.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.956 1.703 . . . . 0.0 114.058 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -66.91 -18.26 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.733 0.813 . . . . 0.0 112.178 157.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.33 21.38 0.95 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.616 1.579 . . . . 0.0 113.439 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -120.92 124.4 44.85 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 118.91 1.355 . . . . 0.0 112.04 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -107.96 168.32 9.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.305 1.842 . . . . 0.0 108.096 146.744 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -41.34 -67.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.878 1.671 . . . . 0.0 114.573 -167.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 13.71 73.76 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 117.449 -1.751 . . . . 0.0 115.473 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -72.16 -18.47 61.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -165.329 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -161.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.474 1.488 . . . . 0.0 110.416 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.76 130.35 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 145.646 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.65 -176.33 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.522 1.129 . . . . 0.0 110.747 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -52.66 135.99 33.83 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -120.27 121.71 39.27 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.666 1.586 . . . . 0.0 106.793 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.84 -10.39 0.24 Allowed 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.052 0 CA-C-N 119.04 0.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -161.41 162.52 30.66 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.985 0.914 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 -2.62 0.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.095 1.758 . . . . 0.0 111.977 168.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -63.63 -22.21 66.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.477 1.511 . . . . 0.0 113.489 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -59.34 -14.27 11.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.541 1.536 . . . . 0.0 114.453 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.45 -1.6 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.654 1.121 . . . . 0.0 113.004 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -94.98 118.05 31.17 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.889 1.344 . . . . 0.0 110.754 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -115.89 -24.27 8.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 109.796 150.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -167.86 -126.83 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.409 1.883 . . . . 0.0 109.615 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.52 15.26 9.69 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 117.985 -1.453 . . . . 0.0 112.667 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -12.74 18.47 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -171.378 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -35.59 0.23 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.449 1.477 . . . . 0.0 111.641 170.647 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.22 150.12 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 142.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -86.64 174.36 8.93 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.829 . . . . 0.0 110.69 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.47 110.3 1.91 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -73.55 -29.82 62.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.736 1.214 . . . . 0.0 113.212 -160.428 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -157.8 124.36 4.88 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.648 0.779 . . . . 0.0 109.969 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 122.119 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -167.5 150.93 6.25 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.057 0.943 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.13 -27.62 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.944 1.697 . . . . 0.0 112.938 173.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -79.09 4.74 13.73 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -59.59 -29.24 67.83 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.302 0.641 . . . . 0.0 111.441 160.244 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.15 -21.1 2.12 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.616 1.579 . . . . 0.0 112.805 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -86.07 102.33 13.74 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.961 1.381 . . . . 0.0 110.142 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.43 -64.7 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.151 1.38 . . . . 0.0 107.647 156.715 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 -84.85 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 107.416 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 43.11 4.45 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.032 1.301 . . . . 0.0 112.883 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.79 -18.51 43.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -154.03 -48.58 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.965 1.257 . . . . 0.0 110.228 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.07 144.36 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 145.477 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -70.13 177.97 3.0 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.083 0.856 . . . . 0.0 110.6 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -48.42 115.11 1.11 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.715 0.806 . . . . 0.0 109.553 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.01 -25.1 37.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.69 0.796 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -117.1 -178.5 3.46 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.112 1.765 . . . . 0.0 110.565 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.147 0 O-C-N 121.339 -0.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.26 177.56 5.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.167 0.984 . . . . 0.0 113.422 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.79 -19.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.848 2.059 . . . . 0.0 111.305 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.31 -18.63 11.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.843 2.057 . . . . 0.0 113.44 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -57.27 -26.84 61.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.297 1.439 . . . . 0.0 113.218 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.45 -15.01 1.48 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.968 1.27 . . . . 0.0 113.183 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . 0.405 ' CE1' ' HA ' ' B' ' 8' ' ' SER . 1.7 t60 -70.92 122.83 20.69 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.693 1.246 . . . . 0.0 109.951 -171.834 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.87 -71.72 0.38 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.709 1.203 . . . . 0.0 108.122 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.405 ' HA ' ' CE1' ' B' ' 6' ' ' HIS . 2.7 m -163.5 -81.58 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.721 2.408 . . . . 0.0 106.097 166.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 37.09 41.09 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.602 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.22 -31.51 11.69 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -107.51 -53.27 2.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.205 1.366 . . . . 0.0 110.416 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -88.98 161.32 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 125.788 1.635 . . . . 0.0 106.875 154.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 174.03 1.24 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.312 0.645 . . . . 0.0 112.454 172.19 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -50.47 138.95 16.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.782 1.233 . . . . 0.0 110.511 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -116.2 -25.09 7.71 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -119.67 153.92 34.83 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.892 0.769 . . . . 0.0 110.616 -167.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.106 0 O-C-N 121.912 -0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.03 173.5 0.18 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.514 1.926 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -18.23 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.91 -16.49 64.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.672 1.189 . . . . 0.0 113.533 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -58.2 -20.61 42.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.427 1.491 . . . . 0.0 113.031 167.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 19.08 3.52 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.792 2.139 . . . . 0.0 112.705 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -137.67 138.09 39.06 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.817 1.247 . . . . 0.0 111.481 -177.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.471 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 9.8 p-10 -127.48 -29.52 2.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.616 1.967 . . . . 0.0 111.502 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -168.23 -144.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.27 1.028 . . . . 0.0 109.278 -161.473 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.06 11.01 28.92 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.7 -1.056 . . . . 0.0 113.054 -176.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -91.86 -22.75 19.93 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.446 1.623 . . . . 0.0 115.274 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -44.22 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.506 1.123 . . . . 0.0 109.488 160.241 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.51 141.39 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 147.679 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -178.29 2.22 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 122.218 -0.301 . . . . 0.0 110.23 168.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -55.6 122.64 11.8 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.339 1.056 . . . . 0.0 109.176 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -81.44 -22.25 38.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.553 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.471 ' HE2' ' HB3' ' A' ' 7' ' ' ASP . 49.8 mtmt -72.76 99.25 2.57 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.163 0.985 . . . . 0.0 109.379 169.036 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.409 -0.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 82.29 171.94 0.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 111.742 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -15.19 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.908 1.683 . . . . 0.0 112.025 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.78 -13.87 61.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.74 2.016 . . . . 0.0 113.519 -170.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -61.76 -31.75 71.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.107 . . . . 0.0 112.747 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.75 -28.49 4.21 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.496 1.522 . . . . 0.0 112.043 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -85.14 111.18 19.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.86 1.264 . . . . 0.0 109.752 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -108.39 -25.29 11.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.671 1.988 . . . . 0.0 110.363 169.25 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.442 ' HG ' HE21 ' B' ' 15' ' ' GLN . 84.9 p -174.86 -141.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.196 2.598 . . . . 0.0 107.876 -175.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.03 6.17 1.51 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-O 117.396 -1.78 . . . . 0.0 115.303 160.166 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.99 -68.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.628 1.714 . . . . 0.0 113.278 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -115.68 -59.68 1.97 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.22 1.408 . . . . 0.0 108.446 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.37 129.9 22.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.357 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 152.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -79.46 -158.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.747 0.819 . . . . 0.0 110.4 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -66.71 119.86 12.51 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.623 -0.673 . . . . 0.0 109.489 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . 0.442 HE21 ' HG ' ' B' ' 8' ' ' SER . 45.3 mt-30 -94.88 137.93 33.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.397 1.479 . . . . 0.0 108.625 -176.529 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.39 119.43 12.73 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -160.092 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.108 0 O-C-N 122.022 -0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -156.57 144.17 19.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.176 0.99 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 80.64 -14.7 0.81 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 129.233 3.013 . . . . 0.0 114.205 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -66.61 -12.0 56.04 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.973 1.26 . . . . 0.0 113.734 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -57.34 -26.38 60.88 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.772 0.829 . . . . 0.0 112.744 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.11 -8.11 3.82 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.55 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -102.6 129.13 49.07 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.275 1.43 . . . . 0.0 109.857 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.01 -47.19 3.61 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.299 1.439 . . . . 0.0 108.552 162.256 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p -158.87 -130.42 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 129.631 3.172 . . . . 0.0 104.146 -175.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.08 32.89 0.76 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.275 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.73 -49.09 16.84 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.036 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 -38.01 1.22 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.348 1.431 . . . . 0.0 110.819 172.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 147.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -86.26 -174.84 5.25 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.692 0.678 . . . . 0.0 110.505 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -57.14 126.23 26.26 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.028 1.731 . . . . 0.0 111.285 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -103.72 29.16 5.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 112.004 -170.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -64.66 -14.26 57.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.021 0 CA-C-N 118.821 0.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -163.75 162.52 23.97 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.939 0.876 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.34 -34.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.166 2.186 . . . . 0.0 110.477 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.32 -2.59 25.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.926 2.09 . . . . 0.0 114.763 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -49.42 -28.97 5.72 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.86 1.264 . . . . 0.0 112.981 163.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.87 20.27 0.36 Allowed Glycine 0 CA--C 1.528 0.871 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.447 165.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -89.1 133.68 34.29 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.09 1.445 . . . . 0.0 110.312 166.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . 0.415 ' HB3' ' HN2' ' B' ' 17' ' ' NH2 . 14.1 p-10 -134.73 -23.97 1.55 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.314 2.246 . . . . 0.0 110.536 169.542 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -174.21 -130.23 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.099 2.56 . . . . 0.0 105.812 -167.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.64 11.17 21.86 Favored Glycine 0 C--O 1.219 -0.842 0 CA-C-O 118.069 -1.406 . . . . 0.0 113.191 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -25.76 34.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.963 1.382 . . . . 0.0 113.831 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -153.4 -62.48 0.14 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.701 1.2 . . . . 0.0 108.189 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.75 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 147.513 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -69.48 177.68 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.799 0.839 . . . . 0.0 110.663 170.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -59.25 126.96 29.79 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.759 0.824 . . . . 0.0 110.903 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -99.51 -7.16 26.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.913 0.885 . . . . 0.0 111.814 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -152.59 -60.71 0.15 Allowed 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.422 1.489 . . . . 0.0 110.413 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . 0.415 ' HN2' ' HB3' ' B' ' 7' ' ' ASP . . . . . . . . 0 C--N 1.332 -0.193 0 O-C-N 121.935 -0.478 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 70.67 178.06 0.26 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.559 1.944 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.68 -14.63 0.06 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.19 -11.59 59.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.31 0.959 . . . . 0.0 113.55 -169.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -62.02 -20.59 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.534 1.133 . . . . 0.0 111.771 165.853 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.85 26.3 3.3 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.364 1.935 . . . . 0.0 112.692 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -148.4 115.93 6.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.798 1.239 . . . . 0.0 109.18 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.404 ' HB3' ' HN2' ' A' ' 17' ' ' NH2 . 8.4 p-10 -109.77 -26.36 9.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.237 1.415 . . . . 0.0 112.136 177.214 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -175.91 -158.7 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.487 2.315 . . . . 0.0 108.35 -170.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.79 33.6 0.51 Allowed Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.346 -1.252 . . . . 0.0 114.741 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -92.78 -21.4 19.95 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.898 1.349 . . . . 0.0 114.306 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -170.48 -60.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.379 2.272 . . . . 0.0 106.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.7 135.78 22.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 149.639 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -75.9 -170.07 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.519 1.128 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -56.6 139.45 49.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.655 0.782 . . . . 0.0 109.231 164.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -122.39 -3.45 8.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.811 1.244 . . . . 0.0 111.591 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -157.43 -61.0 0.09 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.297 0.953 . . . . 0.0 113.075 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . 0.404 ' HN2' ' HB3' ' A' ' 7' ' ' ASP . . . . . . . . 0 C--N 1.334 -0.109 0 O-C-N 121.34 -0.85 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 73.55 169.94 0.31 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.703 2.401 . . . . 0.0 112.152 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.07 -8.56 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.128 1.371 . . . . 0.0 112.951 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.45 -14.49 62.27 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 120.054 1.297 . . . . 0.0 113.593 -174.372 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -58.89 -28.92 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.337 1.055 . . . . 0.0 113.005 168.666 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.83 4.31 8.53 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.751 1.643 . . . . 0.0 113.436 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -117.28 128.66 55.28 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.704 1.602 . . . . 0.0 109.468 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -121.59 -37.18 2.93 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.057 1.343 . . . . 0.0 110.998 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -157.07 -122.75 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.162 1.785 . . . . 0.0 108.106 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.57 9.51 23.13 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 117.887 -1.507 . . . . 0.0 114.949 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -88.23 0.26 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.543 1.672 . . . . 0.0 110.196 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -41.6 20.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.005 1.73 . . . . 0.0 110.838 174.026 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.01 162.54 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 108.883 164.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -82.24 178.59 8.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.684 -0.635 . . . . 0.0 111.228 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -63.17 131.71 49.36 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 151.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.54 -17.56 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.41 146.52 42.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.702 1.137 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 122.022 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 74.34 162.32 0.25 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.797 2.439 . . . . 0.0 111.72 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.38 -27.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.001 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -83.19 8.85 12.02 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.371 1.068 . . . . 0.0 113.714 -167.659 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -65.57 -27.18 68.25 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.939 0.896 . . . . 0.0 111.255 158.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.68 26.79 3.8 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.354 1.931 . . . . 0.0 112.351 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -152.32 143.29 23.06 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.533 1.167 . . . . 0.0 112.321 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.28 135.08 10.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.936 1.694 . . . . 0.0 107.336 149.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m 54.77 -138.65 1.07 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.783 1.233 . . . . 0.0 111.026 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.27 4.43 28.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.682 171.466 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -79.76 -21.63 44.19 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.73 1.765 . . . . 0.0 115.485 -170.201 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -163.34 -51.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.645 1.578 . . . . 0.0 107.811 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.88 133.77 25.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 147.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -76.5 -176.84 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.504 0.322 . . . . 0.0 110.169 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -55.74 131.75 47.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.96 0.904 . . . . 0.0 112.312 -171.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -103.09 175.18 5.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.694 1.998 . . . . 0.0 109.81 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.67 81.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.205 1.002 . . . . 0.0 109.16 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.018 0 O-C-N 121.682 -0.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -161.55 174.99 12.59 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.016 0.913 . . . . 0.0 111.757 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.62 -18.94 0.16 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.176 1.79 . . . . 0.0 111.867 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.45 -13.31 60.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.257 2.223 . . . . 0.0 114.338 -164.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -55.63 -25.63 39.98 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.207 1.403 . . . . 0.0 113.302 166.135 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.59 2.12 1.67 Allowed Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.156 1.36 . . . . 0.0 113.893 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -99.72 132.03 45.32 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.073 1.349 . . . . 0.0 109.883 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -119.46 -35.6 3.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.265 1.826 . . . . 0.0 109.416 164.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.4 p -167.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.901 2.48 . . . . 0.0 107.067 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.37 8.88 2.78 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.324 -1.264 . . . . 0.0 114.492 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -21.31 24.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -166.251 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.75 -34.89 0.08 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.299 1.409 . . . . 0.0 110.985 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.57 138.62 21.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 145.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -179.78 7.52 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.242 0.473 . . . . 0.0 110.874 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -61.39 133.24 55.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.442 1.097 . . . . 0.0 110.845 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -143.33 141.71 31.05 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.475 1.11 . . . . 0.0 108.506 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -74.94 121.27 21.66 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 110.13 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 122.167 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -173.08 148.38 1.71 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.615 1.566 . . . . 0.0 112.256 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.39 -30.8 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.02 -7.77 50.7 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -163.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -55.1 -22.23 15.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.667 1.187 . . . . 0.0 112.455 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.24 -13.64 1.31 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-O 118.101 -1.389 . . . . 0.0 113.143 163.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -84.17 90.95 7.59 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.579 1.69 . . . . 0.0 110.535 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.74 -31.02 36.11 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.207 1.403 . . . . 0.0 111.223 162.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -179.74 -170.86 0.17 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.547 3.139 . . . . 0.0 108.175 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.73 13.02 0.03 OUTLIER Glycine 0 C--N 1.342 0.909 0 CA-C-O 117.202 -1.888 . . . . 0.0 116.42 164.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.54 -24.24 45.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.378 2.089 . . . . 0.0 115.717 -171.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -160.61 -56.57 0.05 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.399 1.479 . . . . 0.0 107.749 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -56.82 130.29 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 143.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.76 177.92 7.21 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 111.171 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -47.35 137.18 8.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.006 150.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -141.19 1.78 1.64 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.943 1.297 . . . . 0.0 112.201 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -80.98 79.21 7.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.071 1.349 . . . . 0.0 108.684 171.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.138 0 O-C-N 121.746 -0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.43 -168.32 0.79 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.89 -6.87 0.16 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.123 1.769 . . . . 0.0 113.106 170.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.54 -21.75 65.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 120.067 1.303 . . . . 0.0 113.385 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -58.75 -26.85 64.38 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.193 0.997 . . . . 0.0 112.888 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.65 19.29 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.746 1.641 . . . . 0.0 112.286 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -135.17 125.32 26.09 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -138.15 -63.84 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 128.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.1 m -130.07 169.49 15.23 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-O 121.542 0.687 . . . . 0.0 112.469 -166.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.31 78.75 1.43 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 107.249 -2.341 . . . . 0.0 107.249 -160.215 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.76 -47.94 3.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.59 -1.195 . . . . 0.0 113.883 -167.057 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -30.46 13.21 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.998 1.272 . . . . 0.0 111.479 173.618 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.99 158.07 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.06 1.344 . . . . 0.0 107.919 148.224 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -66.3 168.7 8.34 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.172 -0.955 . . . . 0.0 110.805 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.06 139.44 46.93 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.653 1.181 . . . . 0.0 112.914 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -134.9 121.02 19.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.089 1.355 . . . . 0.0 107.729 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -110.22 146.06 36.23 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.753 1.221 . . . . 0.0 110.026 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 CA-C-N 116.544 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 65.59 167.08 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.162 2.185 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.67 -30.05 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.063 0.945 . . . . 0.0 112.615 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.35 0.93 23.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.16 1.384 . . . . 0.0 113.293 -170.731 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -59.4 -17.94 34.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.432 1.093 . . . . 0.0 112.628 161.208 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.95 -2.81 0.84 Allowed Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.579 -1.678 . . . . 0.0 113.078 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -103.51 112.79 25.86 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 119.515 1.657 . . . . 0.0 111.999 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -103.69 165.23 11.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.125 143.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -59.12 -41.66 88.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -155.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.7 14.27 81.48 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.125 -1.375 . . . . 0.0 116.35 164.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -76.73 -10.51 59.43 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -169.82 -60.41 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.323 1.449 . . . . 0.0 107.541 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.72 129.23 20.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 149.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -73.53 -179.88 3.73 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.768 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -51.06 121.19 5.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 157.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.92 140.43 29.62 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -153.32 -86.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 121.744 -0.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.73 168.77 10.46 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.076 1.35 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.2 -11.85 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.084 1.754 . . . . 0.0 111.888 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.92 -16.71 63.62 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.746 2.418 . . . . 0.0 113.894 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -64.35 -27.07 68.77 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.321 1.449 . . . . 0.0 113.152 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.81 0.66 9.24 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.213 1.863 . . . . 0.0 112.211 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -114.52 118.85 34.91 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 125.312 1.445 . . . . 0.0 109.397 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.22 -20.91 11.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.94 1.296 . . . . 0.0 110.449 160.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -174.89 -143.03 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.54 2.336 . . . . 0.0 108.715 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.48 8.68 1.27 Allowed Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.568 -1.129 . . . . 0.0 113.353 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -127.41 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.299 2.24 . . . . 0.0 111.476 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -25.13 66.97 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.713 1.597 . . . . 0.0 113.716 -173.461 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.86 134.5 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 154.627 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -76.24 163.04 27.43 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.323 1.049 . . . . 0.0 112.086 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -46.59 128.79 10.71 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.01 0.924 . . . . 0.0 110.753 165.706 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -173.01 149.84 1.92 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.37 2.268 . . . . 0.0 108.53 -175.047 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -163.25 99.62 0.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.957 0.884 . . . . 0.0 109.726 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 115.966 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -162.72 142.01 9.01 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.111 1.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 95.53 -13.17 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.081 3.352 . . . . 0.0 113.388 174.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.19 -21.72 66.8 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -169.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.0 p90 -58.84 -15.15 11.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.297 1.839 . . . . 0.0 114.325 178.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.28 12.14 0.91 Allowed Glycine 0 CA--C 1.527 0.821 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.738 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.413 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 50.3 t60 -91.32 111.11 22.46 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 118.74 1.27 . . . . 0.0 111.73 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.74 172.44 8.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.837 139.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -81.13 -22.35 39.13 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 117.501 -1.238 . . . . 0.0 114.256 -168.48 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.69 42.56 52.5 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-O 118.461 -1.188 . . . . 0.0 115.442 158.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -79.12 -14.55 59.05 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -164.086 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.24 -64.0 0.12 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.7 128.62 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 144.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -167.14 0.27 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.333 0.653 . . . . 0.0 111.685 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.413 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 3.7 m170 -53.76 139.79 31.74 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.746 -0.596 . . . . 0.0 111.427 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -131.68 106.84 8.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.48 1.512 . . . . 0.0 107.34 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -140.56 -1.7 1.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.938 1.295 . . . . 0.0 112.812 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 121.348 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.56 149.68 50.11 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.742 0.651 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.89 -29.76 4.89 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.16 1.384 . . . . 0.0 111.705 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -64.21 -20.7 66.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.67 1.988 . . . . 0.0 113.404 -173.374 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -57.36 -30.91 65.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.007 1.323 . . . . 0.0 112.827 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.49 22.04 4.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.494 1.997 . . . . 0.0 111.439 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -130.61 118.84 21.59 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.344 1.457 . . . . 0.0 108.203 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.13 -37.49 9.3 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 156.54 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -168.83 -85.04 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.539 1.535 . . . . 0.0 110.669 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.95 46.61 28.2 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -159.172 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -73.27 -104.9 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.497 2.319 . . . . 0.0 111.656 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -29.21 23.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.121 0.873 . . . . 0.0 110.472 162.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.84 161.91 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.802 1.641 . . . . 0.0 108.824 150.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -109.41 165.76 11.39 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.512 -0.743 . . . . 0.0 110.672 173.648 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -58.4 133.92 56.18 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.445 0.698 . . . . 0.0 109.189 165.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -141.03 155.44 46.18 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.749 1.22 . . . . 0.0 109.843 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -84.19 141.91 30.7 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.295 1.038 . . . . 0.0 110.118 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.105 0 O-C-N 121.968 -0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -171.52 154.89 3.93 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.312 1.007 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.01 -19.86 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.47 1.908 . . . . 0.0 112.12 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.64 -6.93 52.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -163.551 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -63.37 -29.38 70.7 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.299 1.039 . . . . 0.0 111.596 168.256 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.91 -3.29 12.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.643 1.592 . . . . 0.0 113.22 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -115.84 124.14 49.94 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 118.957 1.379 . . . . 0.0 110.085 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.67 -11.89 8.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.156 1.782 . . . . 0.0 112.396 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p 172.51 -176.84 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.603 3.161 . . . . 0.0 108.544 -168.24 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.42 18.98 0.04 OUTLIER Glycine 0 CA--C 1.528 0.867 0 CA-C-O 118.884 -0.953 . . . . 0.0 114.634 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -104.55 -16.02 15.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.954 1.702 . . . . 0.0 113.345 -167.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -166.44 -55.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.244 1.818 . . . . 0.0 107.975 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.5 137.05 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 147.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 ptt-85 -80.04 -13.63 59.16 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 141.97 149.63 0.0 OUTLIER 'General case' 0 C--O 1.237 0.422 1 C-N-CA 132.156 4.182 . . . . 0.0 102.846 -159.28 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -109.01 -19.28 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.316 154.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -81.01 86.52 6.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.243 1.017 . . . . 0.0 108.791 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 O-C-N 121.516 -0.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -160.2 175.87 12.41 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.792 0.806 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 -14.71 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.201 2.2 . . . . 0.0 111.257 170.452 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -63.12 -22.61 66.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.167 2.187 . . . . 0.0 113.286 -172.185 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -51.72 -32.14 29.08 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.901 1.28 . . . . 0.0 112.471 169.046 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.72 5.46 6.56 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.881 1.705 . . . . 0.0 113.664 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -122.58 138.24 54.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.881 1.34 . . . . 0.0 111.722 -174.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -132.79 -28.77 1.56 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.128 153.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -152.82 -158.14 0.86 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.442 1.897 . . . . 0.0 109.466 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.9 -16.3 0.81 Allowed Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.975 -0.903 . . . . 0.0 114.416 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -57.02 -43.15 81.58 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.46 1.904 . . . . 0.0 114.502 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -150.52 -42.44 0.13 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.784 0.834 . . . . 0.0 110.284 -174.168 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -67.94 129.94 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 144.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -69.31 176.19 3.49 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.92 0.888 . . . . 0.0 109.686 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.38 125.14 22.42 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 118.983 0.811 . . . . 0.0 108.992 172.725 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.15 -2.92 46.78 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.085 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -161.16 162.33 31.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.54 1.136 . . . . 0.0 111.138 -158.128 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 O-C-N 120.601 -1.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 127.91 140.09 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 130.56 3.544 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 -9.95 0.07 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.612 1.965 . . . . 0.0 112.423 167.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.4 -10.86 58.06 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.422 1.489 . . . . 0.0 114.822 -167.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -53.33 -31.85 46.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.87 1.268 . . . . 0.0 112.615 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 -18.69 3.39 Favored Glycine 0 C--N 1.342 0.913 0 C-N-CA 125.168 1.365 . . . . 0.0 112.092 168.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -85.92 100.13 11.89 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 -174.519 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -75.95 -79.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.41 153.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -145.56 -58.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 170.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.76 28.85 49.85 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 118.443 -1.199 . . . . 0.0 113.779 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -67.58 -22.06 65.39 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -166.13 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -163.14 -53.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.099 1.318 . . . . 0.0 108.109 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.63 126.16 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 145.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 177.78 1.1 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.44 1.096 . . . . 0.0 111.585 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -43.56 137.55 2.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.432 1.493 . . . . 0.0 112.591 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -136.89 153.16 50.82 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.552 1.141 . . . . 0.0 109.895 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -169.91 7.24 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.169 2.187 . . . . 0.0 111.385 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.078 0 O-C-N 120.949 -1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -166.58 178.14 6.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.326 1.06 . . . . 0.0 113.085 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.87 -17.33 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 128.62 2.768 . . . . 0.0 110.512 -179.672 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 57.1 mt-10 -66.29 -12.9 59.2 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 127.032 2.133 . . . . 0.0 114.527 -174.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -56.22 -35.02 66.85 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.003 0.82 . . . . 0.0 111.651 165.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.66 58.37 0.65 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 126.025 1.774 . . . . 0.0 109.005 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -164.28 137.43 5.11 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.006 1.322 . . . . 0.0 111.129 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.87 -28.84 1.74 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.172 1.389 . . . . 0.0 110.682 156.704 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -160.47 -127.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.445 1.498 . . . . 0.0 108.7 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.58 21.16 48.93 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.047 -1.418 . . . . 0.0 111.688 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -68.9 0.62 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 117.159 -1.401 . . . . 0.0 112.273 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -45.49 9.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.436 1.471 . . . . 0.0 111.03 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.59 164.61 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.819 1.248 . . . . 0.0 108.366 156.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -95.9 171.98 8.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.897 0.771 . . . . 0.0 110.501 166.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . 0.417 ' HD1' ' NZ ' ' B' ' 16' ' ' LYS . 25.8 m-70 -65.86 121.08 14.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 159.653 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -106.03 -2.04 23.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.066 -173.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . 0.417 ' NZ ' ' HD1' ' B' ' 14' ' ' HIS . 25.6 pttm -79.48 156.74 27.69 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 112.951 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.119 0 O-C-N 121.96 -0.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -151.9 141.8 22.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.402 0.681 . . . . 0.0 111.634 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 97.44 -15.08 0.06 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 130.236 3.415 . . . . 0.0 114.259 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.39 -14.76 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.862 1.21 . . . . 0.0 114.128 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -60.18 -36.12 76.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.209 0.913 . . . . 0.0 112.204 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.29 19.07 11.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.394 1.473 . . . . 0.0 112.521 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -137.3 138.72 40.32 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.74 1.27 . . . . 0.0 112.024 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -96.78 -103.9 0.17 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.181 2.592 . . . . 0.0 109.368 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -137.1 -57.4 0.71 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.633 1.973 . . . . 0.0 108.335 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.04 42.35 3.07 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.033 0.825 . . . . 0.0 113.717 169.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -75.93 -26.23 56.71 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -168.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -160.95 -55.76 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.644 1.178 . . . . 0.0 107.895 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.45 123.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 143.865 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -92.39 -39.93 11.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.454 -170.383 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.39 118.51 21.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.843 0.714 . . . . 0.0 109.27 164.6 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -82.03 174.11 11.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.391 1.876 . . . . 0.0 109.173 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -66.11 11.64 0.08 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -162.352 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 O-C-N 120.397 -1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 t0 67.92 175.75 0.26 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.415 1.886 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.93 -34.82 0.08 Allowed 'General case' 0 C--N 1.34 0.171 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.327 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.06 -5.72 23.71 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -55.5 -22.18 20.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.87 0.868 . . . . 0.0 113.052 164.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.25 -10.13 0.17 Allowed Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.646 -1.085 . . . . 0.0 114.059 172.061 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -74.06 107.95 6.57 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.159 1.479 . . . . 0.0 108.701 174.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.82 -46.49 7.84 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 152.04 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -159.79 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.685 2.394 . . . . 0.0 108.205 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.29 22.89 0.55 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.71 1.624 . . . . 0.0 114.428 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -9.0 58.32 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -169.49 -73.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 p -53.51 130.4 15.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 149.443 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -166.3 0.33 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 111.194 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -54.33 120.0 5.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 168.663 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -89.83 -21.32 22.63 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.37 1.468 . . . . 0.0 110.771 176.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? 49.11 35.25 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.684 1.994 . . . . 0.0 114.439 168.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.016 0 O-C-N 121.477 -0.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -161.9 145.8 12.41 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.272 1.029 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.53 -48.37 0.02 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.669 0.788 . . . . 0.0 112.376 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.62 -6.57 57.36 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -154.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -52.62 -40.37 62.67 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.464 0.706 . . . . 0.0 111.062 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.61 0.13 4.55 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-O 117.908 -1.495 . . . . 0.0 114.005 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.427 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 74.2 t60 -78.87 94.85 5.26 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 119.19 1.495 . . . . 0.0 109.028 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -73.63 -160.44 0.09 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.834 2.054 . . . . 0.0 109.685 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -81.29 23.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.742 0.817 . . . . 0.0 111.804 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.8 4.2 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.647 2.07 . . . . 0.0 111.405 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.3 -10.13 28.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.725 1.61 . . . . 0.0 114.725 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -148.84 -48.61 0.15 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.695 1.198 . . . . 0.0 109.171 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.36 142.78 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 147.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -67.04 157.69 32.87 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.801 -0.562 . . . . 0.0 110.673 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.427 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 7.2 m-70 -50.36 113.93 1.0 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.483 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.46 -10.81 57.17 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.906 0.754 . . . . 0.0 112.506 -159.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -109.72 121.09 44.43 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 125.293 1.437 . . . . 0.0 109.111 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.054 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -151.98 145.11 24.59 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.18 -33.65 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.011 1.725 . . . . 0.0 113.476 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.08 -8.75 25.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.489 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -59.81 -24.51 64.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.834 0.743 . . . . 0.0 112.035 171.203 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.69 9.42 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.626 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.2 t60 -79.82 162.33 25.14 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.372 1.586 . . . . 0.0 111.786 176.469 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 40.3 p-10 -172.34 -125.56 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.054 2.542 . . . . 0.0 107.611 -163.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -98.16 -70.48 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.139 0.975 . . . . 0.0 108.792 172.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.9 20.7 78.96 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 117.959 -1.467 . . . . 0.0 114.683 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -19.81 28.71 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -167.461 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.2 -36.0 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.948 1.299 . . . . 0.0 110.278 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.82 139.88 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 140.206 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -79.29 176.77 9.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.043 0.449 . . . . 0.0 110.442 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -50.92 131.26 26.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.805 0.842 . . . . 0.0 110.169 162.334 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -114.18 -28.37 7.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.116 1.366 . . . . 0.0 111.356 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -79.84 117.34 20.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.106 1.362 . . . . 0.0 109.346 -172.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 O-C-N 122.09 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -170.27 155.13 5.16 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.971 1.308 . . . . 0.0 112.188 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 173.67 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.509 1.924 . . . . 0.0 113.731 171.467 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.28 -30.5 64.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -156.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -55.54 -39.68 70.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.448 1.899 . . . . 0.0 114.068 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.63 12.66 18.25 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.588 -1.118 . . . . 0.0 112.921 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.463 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 81.7 t60 -96.18 144.38 26.45 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.302 1.041 . . . . 0.0 113.541 -169.218 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -146.52 164.7 31.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.699 -1.591 . . . . 0.0 109.205 156.502 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 -9.71 45.95 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -145.687 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.5 -10.75 30.64 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 117.102 1.601 . . . . 0.0 117.102 160.343 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -18.3 43.52 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.931 1.866 . . . . 0.0 115.919 -165.742 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -169.95 -48.73 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.626 1.57 . . . . 0.0 108.678 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -67.85 131.33 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 144.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -99.44 -97.13 0.24 Allowed 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.463 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 4.1 m-70 -119.67 141.16 49.61 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 161.157 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -147.03 154.85 41.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.792 1.637 . . . . 0.0 110.051 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG3' ' HN2' ' A' ' 17' ' ' NH2 . 8.2 ptpp? -105.99 -83.47 0.52 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.536 173.278 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . 0.454 ' HN2' ' HG3' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.334 -0.091 0 CA-C-N 119.639 1.108 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -161.41 166.82 26.74 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.11 1.364 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.83 -28.8 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.028 1.331 . . . . 0.0 112.768 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.6 -4.7 28.55 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -59.15 -28.69 66.82 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.534 -0.729 . . . . 0.0 112.571 164.234 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.31 1.23 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.799 1.666 . . . . 0.0 113.349 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -101.31 126.23 48.03 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.623 1.212 . . . . 0.0 109.677 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -110.1 -38.68 5.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.467 1.907 . . . . 0.0 109.177 161.015 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -168.62 -81.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.357 1.863 . . . . 0.0 109.114 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.96 40.92 8.99 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.474 0.579 . . . . 0.0 112.437 -177.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -71.83 -28.8 63.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -166.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.01 -59.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.648 1.579 . . . . 0.0 107.458 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -61.39 134.45 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 146.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -69.91 -178.33 1.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.125 0.42 . . . . 0.0 111.308 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -52.57 128.6 26.57 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.092 0.957 . . . . 0.0 111.388 -172.093 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -102.45 -17.78 15.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.227 -167.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -66.69 -6.7 16.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.61 1.164 . . . . 0.0 114.027 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.046 0 O-C-N 120.93 -1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.34 146.52 17.01 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.05 0.94 . . . . 0.0 111.889 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 87.44 -9.69 0.58 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 129.185 2.994 . . . . 0.0 114.099 170.291 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.71 -19.38 65.74 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -59.92 -35.92 75.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.177 1.391 . . . . 0.0 113.876 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.2 -0.82 10.47 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.355 1.455 . . . . 0.0 112.909 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 75.0 t60 -85.74 150.82 24.31 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.324 1.062 . . . . 0.0 110.825 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -175.13 -163.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.102 -147.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p -48.37 -54.35 14.28 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 123.885 0.874 . . . . 0.0 110.04 167.441 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.65 2.22 20.85 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.271 164.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.46 3.04 42.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.191 1.495 . . . . 0.0 114.958 -162.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -155.16 -54.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.122 1.369 . . . . 0.0 107.49 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.9 144.52 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.558 1.143 . . . . 0.0 108.968 150.336 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.3 -22.86 24.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.923 -170.515 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 171.2 152.21 0.05 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.628 2.771 . . . . 0.0 108.849 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -138.1 110.41 7.4 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.554 1.142 . . . . 0.0 109.773 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -84.83 -66.53 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 163.207 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.094 0 O-C-N 121.802 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.0 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.39 -166.37 0.14 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.091 1.756 . . . . 0.0 110.81 . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.65 -16.56 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.002 1.321 . . . . 0.0 112.715 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.45 -11.53 59.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.19 1.396 . . . . 0.0 114.42 -170.34 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -58.93 -24.38 62.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.062 0.945 . . . . 0.0 111.961 165.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.61 35.84 1.9 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.461 1.981 . . . . 0.0 111.164 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -142.68 135.75 28.36 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.494 1.147 . . . . 0.0 112.001 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -177.53 -36.1 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.277 3.031 . . . . 0.0 108.458 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -99.52 176.79 5.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.444 1.498 . . . . 0.0 110.311 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.99 83.58 1.29 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 109.214 -1.555 . . . . 0.0 109.214 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.21 -25.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.742 1.617 . . . . 0.0 112.793 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -171.91 -50.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.862 2.465 . . . . 0.0 107.077 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.75 135.51 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 146.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 172.13 13.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.587 0.63 . . . . 0.0 109.543 166.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -57.69 128.58 37.79 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.805 -0.559 . . . . 0.0 111.14 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -82.61 133.61 35.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.321 1.448 . . . . 0.0 108.103 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttt 162.08 54.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 128.041 2.536 . . . . 0.0 109.866 -166.87 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 121.163 -0.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -111.34 117.57 33.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 -46.11 0.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.644 1.177 . . . . 0.0 111.192 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.77 -19.25 62.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.522 1.929 . . . . 0.0 114.354 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -57.04 -25.7 59.06 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.938 1.695 . . . . 0.0 113.487 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.47 35.9 2.01 Favored Glycine 0 C--N 1.34 0.798 0 C-N-CA 124.939 1.256 . . . . 0.0 111.524 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . 0.451 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 13.1 t60 -138.22 149.29 45.65 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 122.924 1.345 . . . . 0.0 113.95 -173.27 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -164.23 -163.5 0.77 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.753 3.221 . . . . 0.0 107.856 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 m -95.01 -26.98 15.85 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.075 -1.015 . . . . 0.0 113.439 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.7 21.04 60.45 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-O 118.288 -1.284 . . . . 0.0 115.899 162.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -16.46 57.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -167.143 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 -49.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.085 1.766 . . . . 0.0 111.099 167.791 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.21 128.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 146.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -89.26 179.94 6.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 0.0 109.456 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.451 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -43.32 121.96 2.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.061 1.344 . . . . 0.0 112.144 178.676 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.58 163.93 12.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.334 1.454 . . . . 0.0 108.144 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -161.72 126.15 3.36 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.568 0.747 . . . . 0.0 109.339 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.296 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 96.47 -159.58 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.93 2.492 . . . . 0.0 111.89 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.87 -19.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.554 1.542 . . . . 0.0 113.42 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -75.45 -8.06 55.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.857 1.263 . . . . 0.0 114.269 -160.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -58.67 -20.36 47.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.758 1.623 . . . . 0.0 113.765 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.66 7.61 2.23 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 117.793 -1.56 . . . . 0.0 112.894 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -110.29 138.62 46.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.666 1.733 . . . . 0.0 111.661 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.91 -19.17 0.66 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.681 1.592 . . . . 0.0 111.339 160.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 p -164.45 -139.73 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.797 1.639 . . . . 0.0 110.017 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.77 7.09 8.22 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.937 1.256 . . . . 0.0 113.402 -173.156 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.71 -13.9 21.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -168.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -46.81 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.505 1.048 . . . . 0.0 109.816 165.77 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.54 136.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 146.499 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -90.88 169.77 10.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.827 0.451 . . . . 0.0 110.46 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -59.27 138.76 57.49 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.484 0.714 . . . . 0.0 111.01 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.44 158.75 32.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.432 1.093 . . . . 0.0 110.767 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -138.19 136.79 36.96 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.018 0.927 . . . . 0.0 110.724 -164.719 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.051 0 O-C-N 122.202 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -163.3 141.93 8.17 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.164 0.985 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.02 -5.35 0.12 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 129.858 3.263 . . . . 0.0 113.935 172.362 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -71.03 -7.9 49.59 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -66.89 -19.3 65.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.784 1.233 . . . . 0.0 112.719 169.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.26 14.04 4.87 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.638 1.59 . . . . 0.0 112.733 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -139.92 124.51 18.18 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.698 1.249 . . . . 0.0 111.255 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -76.83 -61.43 1.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.361 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -175.68 -45.71 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.444 2.298 . . . . 0.0 108.206 -167.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.11 8.92 87.19 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.107 -1.385 . . . . 0.0 115.515 162.182 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -80.31 -19.82 45.7 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -165.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -172.41 -55.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.034 2.134 . . . . 0.0 105.994 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.97 151.62 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 148.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.3 128.57 6.09 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-O 121.538 0.685 . . . . 0.0 111.969 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m170 58.87 40.02 23.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.575 2.35 . . . . 0.0 112.76 171.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -103.1 137.45 41.25 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.393 1.477 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -128.08 -43.82 1.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.221 1.009 . . . . 0.0 110.865 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.005 0 O-C-N 121.489 -0.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 t0 78.36 159.3 0.19 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.305 2.242 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.57 -34.64 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.373 1.069 . . . . 0.0 112.84 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.94 -15.56 63.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.26 1.024 . . . . 0.0 113.284 -172.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -52.01 -24.55 6.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.849 1.26 . . . . 0.0 112.906 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.29 -6.0 1.97 Allowed Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.294 -1.837 . . . . 0.0 113.8 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -103.59 124.81 49.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.745 2.272 . . . . 0.0 112.208 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.91 -25.17 7.34 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.274 1.029 . . . . 0.0 110.317 147.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -162.86 -145.18 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.969 1.708 . . . . 0.0 110.056 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.4 19.18 1.73 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.298 1.428 . . . . 0.0 112.012 -168.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -114.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.192 1.797 . . . . 0.0 110.616 172.531 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -37.32 70.2 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.763 1.62 . . . . 0.0 112.283 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.04 140.07 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 160.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -78.69 -176.71 5.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.302 0.641 . . . . 0.0 110.726 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.64 118.79 6.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.224 1.01 . . . . 0.0 110.998 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -161.41 153.75 20.05 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.096 1.359 . . . . 0.0 110.504 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -102.53 -92.57 0.33 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.434 1.094 . . . . 0.0 108.961 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 121.302 -0.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -173.33 141.07 0.88 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.468 1.507 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.49 -20.36 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.041 1.736 . . . . 0.0 112.89 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.25 -23.02 66.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.482 1.513 . . . . 0.0 114.769 -164.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -54.68 -43.83 72.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.486 1.514 . . . . 0.0 112.872 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.39 -6.85 10.37 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.961 1.267 . . . . 0.0 113.231 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -76.43 160.13 29.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.583 1.153 . . . . 0.0 110.833 172.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -160.86 -166.4 1.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.538 0.735 . . . . 0.0 112.572 -157.406 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.55 -23.46 22.0 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.53 15.4 66.17 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.693 160.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -126.51 -10.64 6.26 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.871 1.836 . . . . 0.0 115.343 -172.455 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -167.87 -49.19 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.72 1.608 . . . . 0.0 107.896 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 135.72 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 143.372 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -124.31 -177.53 3.82 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.653 1.181 . . . . 0.0 107.894 164.456 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.07 134.18 32.63 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.104 0.562 . . . . 0.0 110.78 -176.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.52 95.18 1.36 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 108.211 -174.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.48 ' HG2' ' HN2' ' A' ' 17' ' ' NH2 . 12.9 ttpp -156.93 -161.64 1.12 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.085 1.354 . . . . 0.0 109.03 -156.68 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' NH2 . . . . . 0.48 ' HN2' ' HG2' ' A' ' 16' ' ' LYS . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 120.417 -1.427 . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 t70 72.83 -161.32 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.26 1.824 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.76 -12.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.04 1.336 . . . . 0.0 112.822 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.99 -8.18 42.43 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.617 1.167 . . . . 0.0 114.015 -173.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.22 -23.91 66.92 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.655 0.782 . . . . 0.0 111.914 168.107 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.63 24.11 4.16 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.165 1.84 . . . . 0.0 112.503 173.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -143.98 137.62 27.85 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.594 1.697 . . . . 0.0 110.954 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -128.47 -21.93 3.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.238 1.015 . . . . 0.0 111.046 157.177 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 93.1 p -162.09 -134.46 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.343 1.057 . . . . 0.0 111.754 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.33 19.82 8.2 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.451 1.024 . . . . 0.0 111.802 -160.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -124.57 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.968 1.307 . . . . 0.0 110.164 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -31.58 72.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.161 1.346 . . . . 0.0 112.781 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.05 136.84 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 157.691 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -81.95 162.14 22.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.426 1.09 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 123.72 4.72 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.859 1.264 . . . . 0.0 112.865 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.33 -41.18 12.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.731 0.812 . . . . 0.0 112.061 -159.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -159.02 145.16 16.68 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 110.713 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 O-C-N 122.073 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.12 -19.78 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 114.155 172.73 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.27 -11.12 60.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -166.581 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -59.18 -18.86 40.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.792 1.237 . . . . 0.0 112.581 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.14 -15.97 2.0 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.148 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -95.31 121.24 36.77 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.935 1.368 . . . . 0.0 112.172 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -62.71 1.21 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.578 1.951 . . . . 0.0 108.339 165.696 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -147.48 -128.52 0.06 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.92 1.688 . . . . 0.0 107.49 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.97 16.67 0.85 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-O 117.438 -1.757 . . . . 0.0 114.786 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -79.7 -24.57 41.63 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.659 1.73 . . . . 0.0 115.404 -167.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -159.08 -54.71 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.473 1.509 . . . . 0.0 107.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.01 129.61 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 145.381 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -85.96 156.37 20.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.411 0.685 . . . . 0.0 109.638 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -36.79 127.97 0.86 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.108 2.163 . . . . 0.0 112.171 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.76 -23.59 14.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.132 1.373 . . . . 0.0 112.182 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.067 0.947 . . . . 0.0 110.049 -176.049 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 121.668 0.747 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.65 -7.44 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.018 2.127 . . . . 0.0 110.957 166.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -56.74 -26.99 58.51 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 127.821 2.448 . . . . 0.0 113.977 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -56.8 -26.14 57.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.856 1.262 . . . . 0.0 113.24 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.22 -2.95 6.34 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.679 1.609 . . . . 0.0 112.716 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -102.07 120.61 40.72 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.363 1.582 . . . . 0.0 109.865 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.27 -30.18 6.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.328 2.251 . . . . 0.0 110.535 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 89.1 p -177.94 -134.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.007 2.523 . . . . 0.0 107.284 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.97 10.62 4.67 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.29 -1.283 . . . . 0.0 113.216 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.68 -12.84 30.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -170.329 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -162.01 -54.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.451 1.1 . . . . 0.0 108.316 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.18 145.6 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 147.076 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -78.18 177.25 8.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.758 0.708 . . . . 0.0 110.137 165.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.11 130.73 30.9 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.316 1.447 . . . . 0.0 111.685 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -108.39 -36.32 6.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.561 1.545 . . . . 0.0 110.095 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 tttp . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.886 1.274 . . . . 0.0 110.998 166.806 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.54 -21.72 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.585 -1.198 . . . . 0.0 113.869 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.48 -21.24 66.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.438 1.095 . . . . 0.0 113.248 -166.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -52.1 -25.48 8.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.03 1.332 . . . . 0.0 113.206 168.719 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.23 10.61 4.42 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-O 117.427 -1.763 . . . . 0.0 113.658 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -124.03 135.05 53.34 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 119.442 1.621 . . . . 0.0 111.449 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -125.15 -28.35 3.42 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.2 1.4 . . . . 0.0 111.66 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -167.12 -146.94 0.08 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.576 1.55 . . . . 0.0 108.442 -167.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.47 20.9 2.84 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-O 116.994 -2.003 . . . . 0.0 113.921 170.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -88.84 -14.66 36.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.08 -53.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.406 2.283 . . . . 0.0 106.651 -177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -40.32 135.58 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 109.004 135.758 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -91.69 172.34 8.55 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.542 1.064 . . . . 0.0 110.003 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.42 127.39 24.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.13 0.972 . . . . 0.0 110.674 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -96.73 177.37 5.67 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.266 1.026 . . . . 0.0 110.983 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 CA--C 1.536 0.423 0 C-N-CA 125.229 1.411 . . . . 0.0 108.224 -176.335 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 121.189 0.518 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.3 -9.42 1.49 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.831 1.252 . . . . 0.0 111.742 161.085 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.06 -25.53 61.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.08 2.152 . . . . 0.0 113.098 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -52.24 -26.91 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.036 1.335 . . . . 0.0 113.888 172.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 16.64 3.36 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 116.806 -2.108 . . . . 0.0 112.602 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -115.84 117.48 30.33 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 108.187 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.15 -45.76 5.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.885 1.274 . . . . 0.0 108.541 164.778 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -159.75 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.624 1.97 . . . . 0.0 107.653 165.584 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.63 24.12 5.4 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.509 -1.161 . . . . 0.0 113.27 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -124.36 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.141 1.776 . . . . 0.0 111.471 173.209 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -26.61 63.91 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.925 1.693 . . . . 0.0 113.26 -174.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.97 141.27 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 155.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -72.76 177.29 4.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.336 1.055 . . . . 0.0 111.654 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -49.72 125.13 10.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 126.988 2.115 . . . . 0.0 112.145 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -103.6 123.17 46.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.922 1.689 . . . . 0.0 108.299 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 pttm . . . . . 0 CA--C 1.527 0.089 0 C-N-CA 123.975 0.91 . . . . 0.0 110.01 -169.231 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.975 0.417 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.34 -25.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.249 1.419 . . . . 0.0 112.484 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.55 6.17 9.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.956 1.703 . . . . 0.0 114.058 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -66.91 -18.26 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.733 0.813 . . . . 0.0 112.178 157.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.33 21.38 0.95 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.616 1.579 . . . . 0.0 113.439 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -120.92 124.4 44.85 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 118.91 1.355 . . . . 0.0 112.04 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -107.96 168.32 9.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.305 1.842 . . . . 0.0 108.096 146.744 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -41.34 -67.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.878 1.671 . . . . 0.0 114.573 -167.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 13.71 73.76 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 117.449 -1.751 . . . . 0.0 115.473 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -72.16 -18.47 61.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -165.329 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -161.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.474 1.488 . . . . 0.0 110.416 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.76 130.35 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 145.646 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.65 -176.33 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.522 1.129 . . . . 0.0 110.747 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -52.66 135.99 33.83 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -120.27 121.71 39.27 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.666 1.586 . . . . 0.0 106.793 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.519 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 121.545 0.688 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 -2.62 0.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.095 1.758 . . . . 0.0 111.977 168.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -63.63 -22.21 66.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.477 1.511 . . . . 0.0 113.489 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -59.34 -14.27 11.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.541 1.536 . . . . 0.0 114.453 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.45 -1.6 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.654 1.121 . . . . 0.0 113.004 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -94.98 118.05 31.17 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.889 1.344 . . . . 0.0 110.754 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -115.89 -24.27 8.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 109.796 150.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -167.86 -126.83 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.409 1.883 . . . . 0.0 109.615 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.52 15.26 9.69 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 117.985 -1.453 . . . . 0.0 112.667 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -12.74 18.47 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -171.378 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -35.59 0.23 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.449 1.477 . . . . 0.0 111.641 170.647 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.22 150.12 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 142.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -86.64 174.36 8.93 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.829 . . . . 0.0 110.69 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.47 110.3 1.91 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -73.55 -29.82 62.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.736 1.214 . . . . 0.0 113.212 -160.428 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.1 tttt . . . . . 0 C--N 1.343 0.318 0 C-N-CA 123.648 0.779 . . . . 0.0 109.969 -177.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.13 -27.62 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.944 1.697 . . . . 0.0 112.938 173.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -79.09 4.74 13.73 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -59.59 -29.24 67.83 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.302 0.641 . . . . 0.0 111.441 160.244 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.15 -21.1 2.12 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.616 1.579 . . . . 0.0 112.805 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -86.07 102.33 13.74 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.961 1.381 . . . . 0.0 110.142 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.43 -64.7 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.151 1.38 . . . . 0.0 107.647 156.715 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 -84.85 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 107.416 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 43.11 4.45 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.032 1.301 . . . . 0.0 112.883 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.79 -18.51 43.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -154.03 -48.58 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.965 1.257 . . . . 0.0 110.228 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.07 144.36 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 145.477 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -70.13 177.97 3.0 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.083 0.856 . . . . 0.0 110.6 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -48.42 115.11 1.11 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.715 0.806 . . . . 0.0 109.553 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.01 -25.1 37.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.69 0.796 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 CA--C 1.536 0.408 0 C-N-CA 126.112 1.765 . . . . 0.0 110.565 178.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 122.167 0.984 . . . . 0.0 113.422 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.79 -19.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.848 2.059 . . . . 0.0 111.305 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.31 -18.63 11.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.843 2.057 . . . . 0.0 113.44 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -57.27 -26.84 61.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.297 1.439 . . . . 0.0 113.218 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.45 -15.01 1.48 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.968 1.27 . . . . 0.0 113.183 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -70.92 122.83 20.69 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.693 1.246 . . . . 0.0 109.951 -171.834 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.87 -71.72 0.38 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.709 1.203 . . . . 0.0 108.122 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -163.5 -81.58 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.721 2.408 . . . . 0.0 106.097 166.678 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 37.09 41.09 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.602 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.22 -31.51 11.69 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -107.51 -53.27 2.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.205 1.366 . . . . 0.0 110.416 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -88.98 161.32 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 125.788 1.635 . . . . 0.0 106.875 154.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 174.03 1.24 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.312 0.645 . . . . 0.0 112.454 172.19 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -50.47 138.95 16.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.782 1.233 . . . . 0.0 110.511 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -116.2 -25.09 7.71 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 118.892 0.769 . . . . 0.0 110.616 -167.523 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 121.609 0.719 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -18.23 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.91 -16.49 64.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.672 1.189 . . . . 0.0 113.533 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -58.2 -20.61 42.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.427 1.491 . . . . 0.0 113.031 167.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 19.08 3.52 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.792 2.139 . . . . 0.0 112.705 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -137.67 138.09 39.06 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.817 1.247 . . . . 0.0 111.481 -177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.509 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 9.8 p-10 -127.48 -29.52 2.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.616 1.967 . . . . 0.0 111.502 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -168.23 -144.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.27 1.028 . . . . 0.0 109.278 -161.473 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.06 11.01 28.92 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.7 -1.056 . . . . 0.0 113.054 -176.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -91.86 -22.75 19.93 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.446 1.623 . . . . 0.0 115.274 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -44.22 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.506 1.123 . . . . 0.0 109.488 160.241 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.51 141.39 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 147.679 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -178.29 2.22 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 122.218 -0.301 . . . . 0.0 110.23 168.908 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -55.6 122.64 11.8 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.339 1.056 . . . . 0.0 109.176 174.763 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -81.44 -22.25 38.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.553 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 7' ' ' ASP . 49.8 mtmt . . . . . 0 C--N 1.348 0.505 0 C-N-CA 124.163 0.985 . . . . 0.0 109.379 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.822 0.82 . . . . 0.0 111.742 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -15.19 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.908 1.683 . . . . 0.0 112.025 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.78 -13.87 61.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.74 2.016 . . . . 0.0 113.519 -170.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -61.76 -31.75 71.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.107 . . . . 0.0 112.747 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.75 -28.49 4.21 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.496 1.522 . . . . 0.0 112.043 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -85.14 111.18 19.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.86 1.264 . . . . 0.0 109.752 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -108.39 -25.29 11.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.671 1.988 . . . . 0.0 110.363 169.25 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -174.86 -141.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.196 2.598 . . . . 0.0 107.876 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.03 6.17 1.51 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-O 117.396 -1.78 . . . . 0.0 115.303 160.166 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.99 -68.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.628 1.714 . . . . 0.0 113.278 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -115.68 -59.68 1.97 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.22 1.408 . . . . 0.0 108.446 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.37 129.9 22.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.357 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 152.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -79.46 -158.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.747 0.819 . . . . 0.0 110.4 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -66.71 119.86 12.51 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.623 -0.673 . . . . 0.0 109.489 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -94.88 137.93 33.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.397 1.479 . . . . 0.0 108.625 -176.529 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -160.092 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 80.64 -14.7 0.81 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 129.233 3.013 . . . . 0.0 114.205 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -66.61 -12.0 56.04 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.973 1.26 . . . . 0.0 113.734 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -57.34 -26.38 60.88 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.772 0.829 . . . . 0.0 112.744 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.11 -8.11 3.82 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.55 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -102.6 129.13 49.07 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.275 1.43 . . . . 0.0 109.857 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.01 -47.19 3.61 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.299 1.439 . . . . 0.0 108.552 162.256 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p -158.87 -130.42 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 129.631 3.172 . . . . 0.0 104.146 -175.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.08 32.89 0.76 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.275 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.73 -49.09 16.84 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.036 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 -38.01 1.22 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.348 1.431 . . . . 0.0 110.819 172.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 147.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -86.26 -174.84 5.25 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.692 0.678 . . . . 0.0 110.505 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -57.14 126.23 26.26 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.028 1.731 . . . . 0.0 111.285 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -103.72 29.16 5.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 112.004 -170.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 pttt . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.939 0.876 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.34 -34.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.166 2.186 . . . . 0.0 110.477 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.32 -2.59 25.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.926 2.09 . . . . 0.0 114.763 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -49.42 -28.97 5.72 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.86 1.264 . . . . 0.0 112.981 163.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.87 20.27 0.36 Allowed Glycine 0 CA--C 1.528 0.871 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.447 165.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 31.3 t-80 -89.1 133.68 34.29 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.09 1.445 . . . . 0.0 110.312 166.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 -23.97 1.55 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.314 2.246 . . . . 0.0 110.536 169.542 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -174.21 -130.23 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.099 2.56 . . . . 0.0 105.812 -167.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.64 11.17 21.86 Favored Glycine 0 C--O 1.219 -0.842 0 CA-C-O 118.069 -1.406 . . . . 0.0 113.191 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -25.76 34.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.963 1.382 . . . . 0.0 113.831 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -153.4 -62.48 0.14 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.701 1.2 . . . . 0.0 108.189 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.75 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 147.513 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -69.48 177.68 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.799 0.839 . . . . 0.0 110.663 170.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -59.25 126.96 29.79 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.759 0.824 . . . . 0.0 110.903 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -99.51 -7.16 26.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.913 0.885 . . . . 0.0 111.814 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt . . . . . 0 C--N 1.344 0.369 0 C-N-CA 125.422 1.489 . . . . 0.0 110.413 172.403 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.68 -14.63 0.06 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.19 -11.59 59.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.31 0.959 . . . . 0.0 113.55 -169.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -62.02 -20.59 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.534 1.133 . . . . 0.0 111.771 165.853 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.85 26.3 3.3 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.364 1.935 . . . . 0.0 112.692 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 23.1 t-80 -148.4 115.93 6.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.798 1.239 . . . . 0.0 109.18 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -109.77 -26.36 9.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.237 1.415 . . . . 0.0 112.136 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -175.91 -158.7 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.487 2.315 . . . . 0.0 108.35 -170.318 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.79 33.6 0.51 Allowed Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.346 -1.252 . . . . 0.0 114.741 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -92.78 -21.4 19.95 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.898 1.349 . . . . 0.0 114.306 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -170.48 -60.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.379 2.272 . . . . 0.0 106.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.7 135.78 22.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 149.639 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -75.9 -170.07 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.519 1.128 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -56.6 139.45 49.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.655 0.782 . . . . 0.0 109.231 164.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -122.39 -3.45 8.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.811 1.244 . . . . 0.0 111.591 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 tttp . . . . . 0 C--N 1.349 0.569 0 CA-C-N 119.297 0.953 . . . . 0.0 113.075 168.311 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.565 0.698 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.07 -8.56 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.128 1.371 . . . . 0.0 112.951 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.45 -14.49 62.27 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 120.054 1.297 . . . . 0.0 113.593 -174.372 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -58.89 -28.92 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.337 1.055 . . . . 0.0 113.005 168.666 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.83 4.31 8.53 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.751 1.643 . . . . 0.0 113.436 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -117.28 128.66 55.28 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.704 1.602 . . . . 0.0 109.468 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -121.59 -37.18 2.93 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.057 1.343 . . . . 0.0 110.998 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -157.07 -122.75 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.162 1.785 . . . . 0.0 108.106 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.57 9.51 23.13 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 117.887 -1.507 . . . . 0.0 114.949 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -88.23 0.26 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.543 1.672 . . . . 0.0 110.196 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -41.6 20.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.005 1.73 . . . . 0.0 110.838 174.026 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.01 162.54 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 108.883 164.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -82.24 178.59 8.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.684 -0.635 . . . . 0.0 111.228 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -63.17 131.71 49.36 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 151.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.54 -17.56 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.465 0.32 0 CA-C-N 119.702 1.137 . . . . 0.0 110.75 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 121.089 0.471 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.38 -27.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.001 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -83.19 8.85 12.02 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.371 1.068 . . . . 0.0 113.714 -167.659 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -65.57 -27.18 68.25 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.939 0.896 . . . . 0.0 111.255 158.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.68 26.79 3.8 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.354 1.931 . . . . 0.0 112.351 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 2.6 t-80 -152.32 143.29 23.06 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.533 1.167 . . . . 0.0 112.321 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.28 135.08 10.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.936 1.694 . . . . 0.0 107.336 149.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m 54.77 -138.65 1.07 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.783 1.233 . . . . 0.0 111.026 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.27 4.43 28.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.682 171.466 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -79.76 -21.63 44.19 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.73 1.765 . . . . 0.0 115.485 -170.201 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -163.34 -51.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.645 1.578 . . . . 0.0 107.811 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.88 133.77 25.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 147.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -76.5 -176.84 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.504 0.322 . . . . 0.0 110.169 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -55.74 131.75 47.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.96 0.904 . . . . 0.0 112.312 -171.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -103.09 175.18 5.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.694 1.998 . . . . 0.0 109.81 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.205 1.002 . . . . 0.0 109.16 -170.591 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 122.016 0.913 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.62 -18.94 0.16 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.176 1.79 . . . . 0.0 111.867 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.45 -13.31 60.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.257 2.223 . . . . 0.0 114.338 -164.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -55.63 -25.63 39.98 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.207 1.403 . . . . 0.0 113.302 166.135 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.59 2.12 1.67 Allowed Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.156 1.36 . . . . 0.0 113.893 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -99.72 132.03 45.32 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.073 1.349 . . . . 0.0 109.883 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -119.46 -35.6 3.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.265 1.826 . . . . 0.0 109.416 164.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.4 p -167.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.901 2.48 . . . . 0.0 107.067 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.37 8.88 2.78 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.324 -1.264 . . . . 0.0 114.492 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -21.31 24.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -166.251 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.75 -34.89 0.08 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.299 1.409 . . . . 0.0 110.985 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.57 138.62 21.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 145.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -179.78 7.52 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.242 0.473 . . . . 0.0 110.874 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -61.39 133.24 55.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.442 1.097 . . . . 0.0 110.845 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -143.33 141.71 31.05 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.475 1.11 . . . . 0.0 108.506 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 110.13 -177.038 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.39 -30.8 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.02 -7.77 50.7 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -163.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -55.1 -22.23 15.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.667 1.187 . . . . 0.0 112.455 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.24 -13.64 1.31 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-O 118.101 -1.389 . . . . 0.0 113.143 163.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.2 t-80 -84.17 90.95 7.59 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.579 1.69 . . . . 0.0 110.535 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.74 -31.02 36.11 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.207 1.403 . . . . 0.0 111.223 162.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -179.74 -170.86 0.17 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.547 3.139 . . . . 0.0 108.175 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.73 13.02 0.03 OUTLIER Glycine 0 C--N 1.342 0.909 0 CA-C-O 117.202 -1.888 . . . . 0.0 116.42 164.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.54 -24.24 45.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.378 2.089 . . . . 0.0 115.717 -171.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -160.61 -56.57 0.05 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.399 1.479 . . . . 0.0 107.749 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -56.82 130.29 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 143.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.76 177.92 7.21 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 111.171 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -47.35 137.18 8.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.006 150.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -141.19 1.78 1.64 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.943 1.297 . . . . 0.0 112.201 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 tttt . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 125.071 1.349 . . . . 0.0 108.684 171.022 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.89 -6.87 0.16 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.123 1.769 . . . . 0.0 113.106 170.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.54 -21.75 65.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 120.067 1.303 . . . . 0.0 113.385 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -58.75 -26.85 64.38 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.193 0.997 . . . . 0.0 112.888 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.65 19.29 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.746 1.641 . . . . 0.0 112.286 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 -135.17 125.32 26.09 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -138.15 -63.84 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 128.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.1 m -130.07 169.49 15.23 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-O 121.542 0.687 . . . . 0.0 112.469 -166.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.31 78.75 1.43 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 107.249 -2.341 . . . . 0.0 107.249 -160.215 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.76 -47.94 3.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.59 -1.195 . . . . 0.0 113.883 -167.057 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -30.46 13.21 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.998 1.272 . . . . 0.0 111.479 173.618 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.99 158.07 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.06 1.344 . . . . 0.0 107.919 148.224 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -66.3 168.7 8.34 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.172 -0.955 . . . . 0.0 110.805 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.06 139.44 46.93 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.653 1.181 . . . . 0.0 112.914 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -134.9 121.02 19.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.089 1.355 . . . . 0.0 107.729 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 CA--C 1.534 0.353 0 C-N-CA 124.753 1.221 . . . . 0.0 110.026 179.044 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 121.763 0.792 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.67 -30.05 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.063 0.945 . . . . 0.0 112.615 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.35 0.93 23.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.16 1.384 . . . . 0.0 113.293 -170.731 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -59.4 -17.94 34.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.432 1.093 . . . . 0.0 112.628 161.208 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.95 -2.81 0.84 Allowed Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.579 -1.678 . . . . 0.0 113.078 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -103.51 112.79 25.86 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 119.515 1.657 . . . . 0.0 111.999 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -103.69 165.23 11.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.125 143.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -59.12 -41.66 88.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -155.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.7 14.27 81.48 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.125 -1.375 . . . . 0.0 116.35 164.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -76.73 -10.51 59.43 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -169.82 -60.41 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.323 1.449 . . . . 0.0 107.541 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.72 129.23 20.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 149.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -73.53 -179.88 3.73 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.768 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -51.06 121.19 5.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 157.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.92 140.43 29.62 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.054 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.598 0.713 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.2 -11.85 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.084 1.754 . . . . 0.0 111.888 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.92 -16.71 63.62 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.746 2.418 . . . . 0.0 113.894 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -64.35 -27.07 68.77 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.321 1.449 . . . . 0.0 113.152 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.81 0.66 9.24 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.213 1.863 . . . . 0.0 112.211 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -114.52 118.85 34.91 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 125.312 1.445 . . . . 0.0 109.397 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.22 -20.91 11.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.94 1.296 . . . . 0.0 110.449 160.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -174.89 -143.03 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.54 2.336 . . . . 0.0 108.715 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.48 8.68 1.27 Allowed Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.568 -1.129 . . . . 0.0 113.353 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -127.41 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.299 2.24 . . . . 0.0 111.476 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -25.13 66.97 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.713 1.597 . . . . 0.0 113.716 -173.461 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.86 134.5 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 154.627 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -76.24 163.04 27.43 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.323 1.049 . . . . 0.0 112.086 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -46.59 128.79 10.71 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.01 0.924 . . . . 0.0 110.753 165.706 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -173.01 149.84 1.92 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.37 2.268 . . . . 0.0 108.53 -175.047 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 pttp . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.957 0.884 . . . . 0.0 109.726 -179.078 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.7 t0 . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 120.482 0.182 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . . . 95.53 -13.17 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.081 3.352 . . . . 0.0 113.388 174.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.19 -21.72 66.8 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -169.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 2' ' ' ALA . 4.0 p90 -58.84 -15.15 11.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.297 1.839 . . . . 0.0 114.325 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.28 12.14 0.91 Allowed Glycine 0 CA--C 1.527 0.821 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.738 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 50.3 t60 -91.32 111.11 22.46 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 118.74 1.27 . . . . 0.0 111.73 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.74 172.44 8.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.837 139.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -81.13 -22.35 39.13 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 117.501 -1.238 . . . . 0.0 114.256 -168.48 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.69 42.56 52.5 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-O 118.461 -1.188 . . . . 0.0 115.442 158.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -79.12 -14.55 59.05 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -164.086 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.24 -64.0 0.12 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.7 128.62 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 144.644 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -167.14 0.27 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.333 0.653 . . . . 0.0 111.685 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 3.7 m170 -53.76 139.79 31.74 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.746 -0.596 . . . . 0.0 111.427 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -131.68 106.84 8.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.48 1.512 . . . . 0.0 107.34 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 124.938 1.295 . . . . 0.0 112.812 -171.552 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.89 -29.76 4.89 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.16 1.384 . . . . 0.0 111.705 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -64.21 -20.7 66.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.67 1.988 . . . . 0.0 113.404 -173.374 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -57.36 -30.91 65.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.007 1.323 . . . . 0.0 112.827 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.49 22.04 4.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.494 1.997 . . . . 0.0 111.439 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.4 t-80 -130.61 118.84 21.59 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.344 1.457 . . . . 0.0 108.203 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.13 -37.49 9.3 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 156.54 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -168.83 -85.04 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.539 1.535 . . . . 0.0 110.669 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.95 46.61 28.2 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -159.172 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -73.27 -104.9 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.497 2.319 . . . . 0.0 111.656 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -29.21 23.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.121 0.873 . . . . 0.0 110.472 162.316 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.84 161.91 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.802 1.641 . . . . 0.0 108.824 150.612 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.435 ' H ' ' HD2' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -109.41 165.76 11.39 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.512 -0.743 . . . . 0.0 110.672 173.648 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -58.4 133.92 56.18 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.445 0.698 . . . . 0.0 109.189 165.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -141.03 155.44 46.18 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.749 1.22 . . . . 0.0 109.843 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttm . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 124.295 1.038 . . . . 0.0 110.118 -175.728 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 CA--C 1.532 0.252 0 CA-C-O 121.629 0.728 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.01 -19.86 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.47 1.908 . . . . 0.0 112.12 -177.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.64 -6.93 52.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -163.551 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -63.37 -29.38 70.7 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.299 1.039 . . . . 0.0 111.596 168.256 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.91 -3.29 12.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.643 1.592 . . . . 0.0 113.22 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -115.84 124.14 49.94 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 118.957 1.379 . . . . 0.0 110.085 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.67 -11.89 8.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.156 1.782 . . . . 0.0 112.396 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p 172.51 -176.84 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.603 3.161 . . . . 0.0 108.544 -168.24 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.42 18.98 0.04 OUTLIER Glycine 0 CA--C 1.528 0.867 0 CA-C-O 118.884 -0.953 . . . . 0.0 114.634 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -104.55 -16.02 15.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.954 1.702 . . . . 0.0 113.345 -167.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -166.44 -55.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.244 1.818 . . . . 0.0 107.975 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.5 137.05 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 147.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 ptt-85 -80.04 -13.63 59.16 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 141.97 149.63 0.0 OUTLIER 'General case' 0 C--O 1.237 0.422 1 C-N-CA 132.156 4.182 . . . . 0.0 102.846 -159.28 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -109.01 -19.28 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.316 154.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tptt . . . . . 0 CA--C 1.535 0.4 0 C-N-CA 124.243 1.017 . . . . 0.0 108.791 168.803 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.792 0.806 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 -14.71 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.201 2.2 . . . . 0.0 111.257 170.452 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -63.12 -22.61 66.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.167 2.187 . . . . 0.0 113.286 -172.185 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -51.72 -32.14 29.08 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.901 1.28 . . . . 0.0 112.471 169.046 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.72 5.46 6.56 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.881 1.705 . . . . 0.0 113.664 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.7 t-80 -122.58 138.24 54.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.881 1.34 . . . . 0.0 111.722 -174.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -132.79 -28.77 1.56 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.128 153.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -152.82 -158.14 0.86 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.442 1.897 . . . . 0.0 109.466 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.9 -16.3 0.81 Allowed Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.975 -0.903 . . . . 0.0 114.416 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -57.02 -43.15 81.58 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.46 1.904 . . . . 0.0 114.502 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -150.52 -42.44 0.13 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.784 0.834 . . . . 0.0 110.284 -174.168 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -67.94 129.94 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 144.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -69.31 176.19 3.49 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.92 0.888 . . . . 0.0 109.686 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.38 125.14 22.42 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 118.983 0.811 . . . . 0.0 108.992 172.725 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.15 -2.92 46.78 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.085 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.54 1.136 . . . . 0.0 111.138 -158.128 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.946 0.403 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 -9.95 0.07 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.612 1.965 . . . . 0.0 112.423 167.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.4 -10.86 58.06 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.422 1.489 . . . . 0.0 114.822 -167.079 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -53.33 -31.85 46.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.87 1.268 . . . . 0.0 112.615 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 -18.69 3.39 Favored Glycine 0 C--N 1.342 0.913 0 C-N-CA 125.168 1.365 . . . . 0.0 112.092 168.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.403 ' CD2' ' HB1' ' B' ' 2' ' ' ALA . 20.6 t60 -85.92 100.13 11.89 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 -174.519 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -75.95 -79.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.41 153.689 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -145.56 -58.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 170.58 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.76 28.85 49.85 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 118.443 -1.199 . . . . 0.0 113.779 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -67.58 -22.06 65.39 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -166.13 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -163.14 -53.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.099 1.318 . . . . 0.0 108.109 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.63 126.16 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 145.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 177.78 1.1 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.44 1.096 . . . . 0.0 111.585 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -43.56 137.55 2.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.432 1.493 . . . . 0.0 112.591 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -136.89 153.16 50.82 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.552 1.141 . . . . 0.0 109.895 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 pttt . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 127.169 2.187 . . . . 0.0 111.385 -178.487 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 122.326 1.06 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.429 ' H ' ' H ' ' B' ' 3' ' ' GLU . . . -165.87 -17.33 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 128.62 2.768 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' H ' ' H ' ' B' ' 2' ' ' ALA . 57.1 mt-10 -66.29 -12.9 59.2 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 127.032 2.133 . . . . 0.0 114.527 -174.822 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -56.22 -35.02 66.85 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.003 0.82 . . . . 0.0 111.651 165.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.66 58.37 0.65 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 126.025 1.774 . . . . 0.0 109.005 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -164.28 137.43 5.11 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.006 1.322 . . . . 0.0 111.129 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.87 -28.84 1.74 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.172 1.389 . . . . 0.0 110.682 156.704 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -160.47 -127.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.445 1.498 . . . . 0.0 108.7 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.58 21.16 48.93 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.047 -1.418 . . . . 0.0 111.688 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -68.9 0.62 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 117.159 -1.401 . . . . 0.0 112.273 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -45.49 9.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.436 1.471 . . . . 0.0 111.03 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.59 164.61 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.819 1.248 . . . . 0.0 108.366 156.768 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ARG . . . . . 0.497 ' HD3' ' H ' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -95.9 171.98 8.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.897 0.771 . . . . 0.0 110.501 166.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -65.86 121.08 14.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 159.653 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -106.03 -2.04 23.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.066 -173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm . . . . . 0 C--N 1.345 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 112.951 -179.698 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 97.44 -15.08 0.06 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 130.236 3.415 . . . . 0.0 114.259 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.39 -14.76 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.862 1.21 . . . . 0.0 114.128 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -60.18 -36.12 76.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.209 0.913 . . . . 0.0 112.204 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.29 19.07 11.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.394 1.473 . . . . 0.0 112.521 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -137.3 138.72 40.32 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.74 1.27 . . . . 0.0 112.024 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -96.78 -103.9 0.17 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.181 2.592 . . . . 0.0 109.368 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -137.1 -57.4 0.71 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.633 1.973 . . . . 0.0 108.335 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.04 42.35 3.07 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.033 0.825 . . . . 0.0 113.717 169.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -75.93 -26.23 56.71 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -168.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -160.95 -55.76 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.644 1.178 . . . . 0.0 107.895 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.45 123.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 143.865 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -92.39 -39.93 11.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.454 -170.383 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.39 118.51 21.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.843 0.714 . . . . 0.0 109.27 164.6 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -82.03 174.11 11.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.391 1.876 . . . . 0.0 109.173 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -162.352 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 CA--C 1.546 0.799 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.93 -34.82 0.08 Allowed 'General case' 0 C--N 1.34 0.171 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.327 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.06 -5.72 23.71 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -55.5 -22.18 20.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.87 0.868 . . . . 0.0 113.052 164.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.25 -10.13 0.17 Allowed Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.646 -1.085 . . . . 0.0 114.059 172.061 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 41.9 t-80 -74.06 107.95 6.57 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.159 1.479 . . . . 0.0 108.701 174.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.82 -46.49 7.84 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 152.04 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -159.79 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.685 2.394 . . . . 0.0 108.205 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.29 22.89 0.55 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.71 1.624 . . . . 0.0 114.428 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -9.0 58.32 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -169.49 -73.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 p -53.51 130.4 15.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 149.443 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -166.3 0.33 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 111.194 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -54.33 120.0 5.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 168.663 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -89.83 -21.32 22.63 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.37 1.468 . . . . 0.0 110.771 176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 126.684 1.994 . . . . 0.0 114.439 168.412 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.765 0.317 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.53 -48.37 0.02 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.669 0.788 . . . . 0.0 112.376 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.62 -6.57 57.36 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -154.551 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -52.62 -40.37 62.67 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.464 0.706 . . . . 0.0 111.062 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.61 0.13 4.55 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-O 117.908 -1.495 . . . . 0.0 114.005 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 74.2 t60 -78.87 94.85 5.26 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 119.19 1.495 . . . . 0.0 109.028 172.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -73.63 -160.44 0.09 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.834 2.054 . . . . 0.0 109.685 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -81.29 23.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.742 0.817 . . . . 0.0 111.804 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.8 4.2 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.647 2.07 . . . . 0.0 111.405 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.3 -10.13 28.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.725 1.61 . . . . 0.0 114.725 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -148.84 -48.61 0.15 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.695 1.198 . . . . 0.0 109.171 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.36 142.78 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 147.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -67.04 157.69 32.87 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.801 -0.562 . . . . 0.0 110.673 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 m80 -50.36 113.93 1.0 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.483 173.393 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.46 -10.81 57.17 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.906 0.754 . . . . 0.0 112.506 -159.71 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 C--N 1.343 0.325 0 C-N-CA 125.293 1.437 . . . . 0.0 109.111 -178.074 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 t0 . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.18 -33.65 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.011 1.725 . . . . 0.0 113.476 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.08 -8.75 25.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.489 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -59.81 -24.51 64.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.834 0.743 . . . . 0.0 112.035 171.203 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.69 9.42 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.626 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' B' ' 7' ' ' ASP . 85.2 t60 -79.82 162.33 25.14 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.372 1.586 . . . . 0.0 111.786 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ASP . . . . . 0.436 ' H ' ' CG ' ' B' ' 6' ' ' HIS . 40.3 p-10 -172.34 -125.56 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.054 2.542 . . . . 0.0 107.611 -163.204 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -98.16 -70.48 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.139 0.975 . . . . 0.0 108.792 172.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.9 20.7 78.96 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 117.959 -1.467 . . . . 0.0 114.683 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -19.81 28.71 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -167.461 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.2 -36.0 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.948 1.299 . . . . 0.0 110.278 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.82 139.88 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 140.206 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -79.29 176.77 9.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.043 0.449 . . . . 0.0 110.442 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -50.92 131.26 26.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.805 0.842 . . . . 0.0 110.169 162.334 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -114.18 -28.37 7.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.116 1.366 . . . . 0.0 111.356 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mptt . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 125.106 1.362 . . . . 0.0 109.346 -172.181 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 173.67 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.509 1.924 . . . . 0.0 113.731 171.467 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.28 -30.5 64.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -156.856 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -55.54 -39.68 70.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.448 1.899 . . . . 0.0 114.068 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.63 12.66 18.25 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.588 -1.118 . . . . 0.0 112.921 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 81.7 t60 -96.18 144.38 26.45 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.302 1.041 . . . . 0.0 113.541 -169.218 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -146.52 164.7 31.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.699 -1.591 . . . . 0.0 109.205 156.502 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 -9.71 45.95 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -145.687 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.5 -10.75 30.64 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 117.102 1.601 . . . . 0.0 117.102 160.343 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -18.3 43.52 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.931 1.866 . . . . 0.0 115.919 -165.742 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -169.95 -48.73 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.626 1.57 . . . . 0.0 108.678 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -67.85 131.33 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 144.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -99.44 -97.13 0.24 Allowed 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 4.1 m-70 -119.67 141.16 49.61 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 161.157 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -147.03 154.85 41.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.792 1.637 . . . . 0.0 110.051 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? . . . . . 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.536 173.278 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.001 0.429 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.83 -28.8 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.028 1.331 . . . . 0.0 112.768 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.6 -4.7 28.55 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -59.15 -28.69 66.82 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.534 -0.729 . . . . 0.0 112.571 164.234 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.31 1.23 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.799 1.666 . . . . 0.0 113.349 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -101.31 126.23 48.03 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.623 1.212 . . . . 0.0 109.677 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -110.1 -38.68 5.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.467 1.907 . . . . 0.0 109.177 161.015 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -168.62 -81.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.357 1.863 . . . . 0.0 109.114 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.96 40.92 8.99 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.474 0.579 . . . . 0.0 112.437 -177.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -71.83 -28.8 63.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -166.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.01 -59.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.648 1.579 . . . . 0.0 107.458 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -61.39 134.45 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 146.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -69.91 -178.33 1.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.125 0.42 . . . . 0.0 111.308 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 70.8 m-70 -52.57 128.6 26.57 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.092 0.957 . . . . 0.0 111.388 -172.093 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -102.45 -17.78 15.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.227 -167.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 124.61 1.164 . . . . 0.0 114.027 178.554 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.88 0.371 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 87.44 -9.69 0.58 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 129.185 2.994 . . . . 0.0 114.099 170.291 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.71 -19.38 65.74 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.043 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -59.92 -35.92 75.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.177 1.391 . . . . 0.0 113.876 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.2 -0.82 10.47 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.355 1.455 . . . . 0.0 112.909 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -85.74 150.82 24.31 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.324 1.062 . . . . 0.0 110.825 178.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -175.13 -163.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.102 -147.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p -48.37 -54.35 14.28 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 123.885 0.874 . . . . 0.0 110.04 167.441 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.65 2.22 20.85 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.271 164.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.46 3.04 42.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.191 1.495 . . . . 0.0 114.958 -162.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -155.16 -54.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.122 1.369 . . . . 0.0 107.49 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.9 144.52 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.558 1.143 . . . . 0.0 108.968 150.336 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.3 -22.86 24.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.923 -170.515 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 171.2 152.21 0.05 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.628 2.771 . . . . 0.0 108.849 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -138.1 110.41 7.4 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.554 1.142 . . . . 0.0 109.773 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.4 mttt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 163.207 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 120.947 0.403 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.65 -16.56 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.002 1.321 . . . . 0.0 112.715 175.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.45 -11.53 59.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.19 1.396 . . . . 0.0 114.42 -170.34 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -58.93 -24.38 62.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.062 0.945 . . . . 0.0 111.961 165.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.61 35.84 1.9 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.461 1.981 . . . . 0.0 111.164 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 46.1 t-80 -142.68 135.75 28.36 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.494 1.147 . . . . 0.0 112.001 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -177.53 -36.1 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.277 3.031 . . . . 0.0 108.458 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -99.52 176.79 5.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.444 1.498 . . . . 0.0 110.311 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.99 83.58 1.29 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 109.214 -1.555 . . . . 0.0 109.214 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.21 -25.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.742 1.617 . . . . 0.0 112.793 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -171.91 -50.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.862 2.465 . . . . 0.0 107.077 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.75 135.51 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 146.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 172.13 13.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.587 0.63 . . . . 0.0 109.543 166.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -57.69 128.58 37.79 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.805 -0.559 . . . . 0.0 111.14 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -82.61 133.61 35.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.321 1.448 . . . . 0.0 108.103 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttt . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 128.041 2.536 . . . . 0.0 109.866 -166.87 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 -46.11 0.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.644 1.177 . . . . 0.0 111.192 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.77 -19.25 62.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.522 1.929 . . . . 0.0 114.354 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -57.04 -25.7 59.06 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.938 1.695 . . . . 0.0 113.487 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.47 35.9 2.01 Favored Glycine 0 C--N 1.34 0.798 0 C-N-CA 124.939 1.256 . . . . 0.0 111.524 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t-80 -138.22 149.29 45.65 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 122.924 1.345 . . . . 0.0 113.95 -173.27 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -164.23 -163.5 0.77 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.753 3.221 . . . . 0.0 107.856 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 m -95.01 -26.98 15.85 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.075 -1.015 . . . . 0.0 113.439 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.7 21.04 60.45 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-O 118.288 -1.284 . . . . 0.0 115.899 162.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -16.46 57.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -167.143 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 -49.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.085 1.766 . . . . 0.0 111.099 167.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.21 128.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 146.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -89.26 179.94 6.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 0.0 109.456 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -43.32 121.96 2.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.061 1.344 . . . . 0.0 112.144 178.676 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.58 163.93 12.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.334 1.454 . . . . 0.0 108.144 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 123.568 0.747 . . . . 0.0 109.339 178.619 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.87 -19.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.554 1.542 . . . . 0.0 113.42 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -75.45 -8.06 55.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.857 1.263 . . . . 0.0 114.269 -160.695 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -58.67 -20.36 47.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.758 1.623 . . . . 0.0 113.765 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.66 7.61 2.23 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 117.793 -1.56 . . . . 0.0 112.894 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -110.29 138.62 46.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.666 1.733 . . . . 0.0 111.661 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.91 -19.17 0.66 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.681 1.592 . . . . 0.0 111.339 160.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 p -164.45 -139.73 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.797 1.639 . . . . 0.0 110.017 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.77 7.09 8.22 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.937 1.256 . . . . 0.0 113.402 -173.156 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.71 -13.9 21.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -168.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -46.81 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.505 1.048 . . . . 0.0 109.816 165.77 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.54 136.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 146.499 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -90.88 169.77 10.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.827 0.451 . . . . 0.0 110.46 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -59.27 138.76 57.49 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.484 0.714 . . . . 0.0 111.01 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.44 158.75 32.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.432 1.093 . . . . 0.0 110.767 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttt . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 124.018 0.927 . . . . 0.0 110.724 -164.719 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.129 0.014 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.02 -5.35 0.12 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 129.858 3.263 . . . . 0.0 113.935 172.362 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -71.03 -7.9 49.59 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -66.89 -19.3 65.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.784 1.233 . . . . 0.0 112.719 169.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.26 14.04 4.87 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.638 1.59 . . . . 0.0 112.733 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -139.92 124.51 18.18 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.698 1.249 . . . . 0.0 111.255 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -76.83 -61.43 1.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.361 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -175.68 -45.71 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.444 2.298 . . . . 0.0 108.206 -167.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.11 8.92 87.19 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.107 -1.385 . . . . 0.0 115.515 162.182 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -80.31 -19.82 45.7 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -165.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -172.41 -55.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.034 2.134 . . . . 0.0 105.994 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.97 151.62 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 148.332 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.3 128.57 6.09 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-O 121.538 0.685 . . . . 0.0 111.969 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m170 58.87 40.02 23.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.575 2.35 . . . . 0.0 112.76 171.309 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -103.1 137.45 41.25 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.393 1.477 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.221 1.009 . . . . 0.0 110.865 176.383 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 t0 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.97 0.414 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.57 -34.64 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.373 1.069 . . . . 0.0 112.84 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.94 -15.56 63.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.26 1.024 . . . . 0.0 113.284 -172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -52.01 -24.55 6.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.849 1.26 . . . . 0.0 112.906 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.29 -6.0 1.97 Allowed Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.294 -1.837 . . . . 0.0 113.8 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 -103.59 124.81 49.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.745 2.272 . . . . 0.0 112.208 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.91 -25.17 7.34 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.274 1.029 . . . . 0.0 110.317 147.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -162.86 -145.18 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.969 1.708 . . . . 0.0 110.056 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.4 19.18 1.73 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.298 1.428 . . . . 0.0 112.012 -168.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -114.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.192 1.797 . . . . 0.0 110.616 172.531 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -37.32 70.2 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.763 1.62 . . . . 0.0 112.283 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.04 140.07 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 160.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -78.69 -176.71 5.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.302 0.641 . . . . 0.0 110.726 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.64 118.79 6.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.224 1.01 . . . . 0.0 110.998 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -161.41 153.75 20.05 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.096 1.359 . . . . 0.0 110.504 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttm . . . . . 0 CA--C 1.538 0.485 0 C-N-CA 124.434 1.094 . . . . 0.0 108.961 -172.485 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.62 0.248 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.49 -20.36 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.041 1.736 . . . . 0.0 112.89 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.25 -23.02 66.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.482 1.513 . . . . 0.0 114.769 -164.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -54.68 -43.83 72.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.486 1.514 . . . . 0.0 112.872 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.39 -6.85 10.37 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.961 1.267 . . . . 0.0 113.231 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -76.43 160.13 29.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.583 1.153 . . . . 0.0 110.833 172.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -160.86 -166.4 1.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.538 0.735 . . . . 0.0 112.572 -157.406 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.55 -23.46 22.0 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.53 15.4 66.17 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.693 160.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -126.51 -10.64 6.26 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.871 1.836 . . . . 0.0 115.343 -172.455 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -167.87 -49.19 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.72 1.608 . . . . 0.0 107.896 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 135.72 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 143.372 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -124.31 -177.53 3.82 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.653 1.181 . . . . 0.0 107.894 164.456 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.07 134.18 32.63 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.104 0.562 . . . . 0.0 110.78 -176.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.52 95.18 1.36 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 108.211 -174.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.085 1.354 . . . . 0.0 109.03 -156.68 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.76 -12.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.04 1.336 . . . . 0.0 112.822 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.99 -8.18 42.43 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.617 1.167 . . . . 0.0 114.015 -173.186 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.22 -23.91 66.92 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.655 0.782 . . . . 0.0 111.914 168.107 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.63 24.11 4.16 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.165 1.84 . . . . 0.0 112.503 173.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.0 t-80 -143.98 137.62 27.85 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.594 1.697 . . . . 0.0 110.954 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -128.47 -21.93 3.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.238 1.015 . . . . 0.0 111.046 157.177 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 93.1 p -162.09 -134.46 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.343 1.057 . . . . 0.0 111.754 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.33 19.82 8.2 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.451 1.024 . . . . 0.0 111.802 -160.598 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -124.57 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.968 1.307 . . . . 0.0 110.164 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -31.58 72.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.161 1.346 . . . . 0.0 112.781 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.05 136.84 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 157.691 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -81.95 162.14 22.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.426 1.09 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 123.72 4.72 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.859 1.264 . . . . 0.0 112.865 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.33 -41.18 12.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.731 0.812 . . . . 0.0 112.061 -159.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 C--N 1.344 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 110.713 177.249 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -161.32 149.61 15.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.055 0.542 . . . . 0.0 112.232 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.12 -19.78 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 114.155 172.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.27 -11.12 60.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -166.581 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -59.18 -18.86 40.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.792 1.237 . . . . 0.0 112.581 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.14 -15.97 2.0 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.148 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -95.31 121.24 36.77 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.935 1.368 . . . . 0.0 112.172 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -62.71 1.21 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.578 1.951 . . . . 0.0 108.339 165.696 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -147.48 -128.52 0.06 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.92 1.688 . . . . 0.0 107.49 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.97 16.67 0.85 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-O 117.438 -1.757 . . . . 0.0 114.786 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -79.7 -24.57 41.63 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.659 1.73 . . . . 0.0 115.404 -167.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -159.08 -54.71 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.473 1.509 . . . . 0.0 107.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.01 129.61 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 145.381 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -85.96 156.37 20.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.411 0.685 . . . . 0.0 109.638 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -36.79 127.97 0.86 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.108 2.163 . . . . 0.0 112.171 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.76 -23.59 14.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.132 1.373 . . . . 0.0 112.182 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -81.29 91.92 6.29 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.067 0.947 . . . . 0.0 110.049 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 116.245 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -172.57 162.45 5.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.65 -7.44 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.018 2.127 . . . . 0.0 110.957 166.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -56.74 -26.99 58.51 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 127.821 2.448 . . . . 0.0 113.977 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -56.8 -26.14 57.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.856 1.262 . . . . 0.0 113.24 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.22 -2.95 6.34 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.679 1.609 . . . . 0.0 112.716 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -102.07 120.61 40.72 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.363 1.582 . . . . 0.0 109.865 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.27 -30.18 6.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.328 2.251 . . . . 0.0 110.535 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 89.1 p -177.94 -134.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.007 2.523 . . . . 0.0 107.284 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.97 10.62 4.67 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.29 -1.283 . . . . 0.0 113.216 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.68 -12.84 30.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -170.329 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -162.01 -54.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.451 1.1 . . . . 0.0 108.316 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.18 145.6 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 147.076 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -78.18 177.25 8.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.758 0.708 . . . . 0.0 110.137 165.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.11 130.73 30.9 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.316 1.447 . . . . 0.0 111.685 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -108.39 -36.32 6.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.561 1.545 . . . . 0.0 110.095 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -81.06 -18.64 45.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.886 1.274 . . . . 0.0 110.998 166.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 121.108 -0.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.5 t0 77.72 147.03 0.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 128.647 2.779 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.54 -21.72 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.585 -1.198 . . . . 0.0 113.869 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.48 -21.24 66.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.438 1.095 . . . . 0.0 113.248 -166.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -52.1 -25.48 8.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.03 1.332 . . . . 0.0 113.206 168.719 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.23 10.61 4.42 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-O 117.427 -1.763 . . . . 0.0 113.658 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -124.03 135.05 53.34 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 119.442 1.621 . . . . 0.0 111.449 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -125.15 -28.35 3.42 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.2 1.4 . . . . 0.0 111.66 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -167.12 -146.94 0.08 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.576 1.55 . . . . 0.0 108.442 -167.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.47 20.9 2.84 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-O 116.994 -2.003 . . . . 0.0 113.921 170.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -88.84 -14.66 36.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.08 -53.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.406 2.283 . . . . 0.0 106.651 -177.821 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -40.32 135.58 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 109.004 135.758 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -91.69 172.34 8.55 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.542 1.064 . . . . 0.0 110.003 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.42 127.39 24.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.13 0.972 . . . . 0.0 110.674 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -96.73 177.37 5.67 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.266 1.026 . . . . 0.0 110.983 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -127.46 -112.45 0.28 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.229 1.411 . . . . 0.0 108.224 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.021 0 CA-C-N 119.218 0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -168.55 161.8 11.74 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.343 1.457 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.3 -9.42 1.49 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.831 1.252 . . . . 0.0 111.742 161.085 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.06 -25.53 61.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.08 2.152 . . . . 0.0 113.098 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -52.24 -26.91 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.036 1.335 . . . . 0.0 113.888 172.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 16.64 3.36 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 116.806 -2.108 . . . . 0.0 112.602 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -115.84 117.48 30.33 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 108.187 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.15 -45.76 5.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.885 1.274 . . . . 0.0 108.541 164.778 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -159.75 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.624 1.97 . . . . 0.0 107.653 165.584 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.63 24.12 5.4 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.509 -1.161 . . . . 0.0 113.27 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -124.36 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.141 1.776 . . . . 0.0 111.471 173.209 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -26.61 63.91 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.925 1.693 . . . . 0.0 113.26 -174.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.97 141.27 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 155.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -72.76 177.29 4.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.336 1.055 . . . . 0.0 111.654 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -49.72 125.13 10.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 126.988 2.115 . . . . 0.0 112.145 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -103.6 123.17 46.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.922 1.689 . . . . 0.0 108.299 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -166.0 135.06 3.17 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.975 0.91 . . . . 0.0 110.01 -169.231 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 O-C-N 121.91 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -175.56 136.62 0.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.34 -25.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.249 1.419 . . . . 0.0 112.484 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.55 6.17 9.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.956 1.703 . . . . 0.0 114.058 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -66.91 -18.26 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.733 0.813 . . . . 0.0 112.178 157.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.33 21.38 0.95 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.616 1.579 . . . . 0.0 113.439 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -120.92 124.4 44.85 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 118.91 1.355 . . . . 0.0 112.04 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -107.96 168.32 9.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.305 1.842 . . . . 0.0 108.096 146.744 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -41.34 -67.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.878 1.671 . . . . 0.0 114.573 -167.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 13.71 73.76 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 117.449 -1.751 . . . . 0.0 115.473 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -72.16 -18.47 61.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -165.329 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -161.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.474 1.488 . . . . 0.0 110.416 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.76 130.35 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 145.646 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.65 -176.33 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.522 1.129 . . . . 0.0 110.747 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -52.66 135.99 33.83 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -120.27 121.71 39.27 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.666 1.586 . . . . 0.0 106.793 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.84 -10.39 0.24 Allowed 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.052 0 CA-C-N 119.04 0.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -161.41 162.52 30.66 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.985 0.914 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 -2.62 0.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.095 1.758 . . . . 0.0 111.977 168.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -63.63 -22.21 66.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.477 1.511 . . . . 0.0 113.489 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -59.34 -14.27 11.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.541 1.536 . . . . 0.0 114.453 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.45 -1.6 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.654 1.121 . . . . 0.0 113.004 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -94.98 118.05 31.17 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.889 1.344 . . . . 0.0 110.754 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -115.89 -24.27 8.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 109.796 150.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -167.86 -126.83 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.409 1.883 . . . . 0.0 109.615 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.52 15.26 9.69 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 117.985 -1.453 . . . . 0.0 112.667 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -12.74 18.47 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -171.378 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -35.59 0.23 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.449 1.477 . . . . 0.0 111.641 170.647 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.22 150.12 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 142.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -86.64 174.36 8.93 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.829 . . . . 0.0 110.69 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.47 110.3 1.91 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -73.55 -29.82 62.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.736 1.214 . . . . 0.0 113.212 -160.428 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -157.8 124.36 4.88 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.648 0.779 . . . . 0.0 109.969 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 122.119 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -167.5 150.93 6.25 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.057 0.943 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.13 -27.62 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.944 1.697 . . . . 0.0 112.938 173.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -79.09 4.74 13.73 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -59.59 -29.24 67.83 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.302 0.641 . . . . 0.0 111.441 160.244 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.15 -21.1 2.12 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.616 1.579 . . . . 0.0 112.805 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -86.07 102.33 13.74 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.961 1.381 . . . . 0.0 110.142 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.43 -64.7 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.151 1.38 . . . . 0.0 107.647 156.715 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 -84.85 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 107.416 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 43.11 4.45 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.032 1.301 . . . . 0.0 112.883 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.79 -18.51 43.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -154.03 -48.58 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.965 1.257 . . . . 0.0 110.228 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.07 144.36 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 145.477 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -70.13 177.97 3.0 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.083 0.856 . . . . 0.0 110.6 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -48.42 115.11 1.11 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.715 0.806 . . . . 0.0 109.553 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.01 -25.1 37.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.69 0.796 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -117.1 -178.5 3.46 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.112 1.765 . . . . 0.0 110.565 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.147 0 O-C-N 121.339 -0.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.26 177.56 5.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.167 0.984 . . . . 0.0 113.422 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.79 -19.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.848 2.059 . . . . 0.0 111.305 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.31 -18.63 11.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.843 2.057 . . . . 0.0 113.44 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -57.27 -26.84 61.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.297 1.439 . . . . 0.0 113.218 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.45 -15.01 1.48 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.968 1.27 . . . . 0.0 113.183 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -70.92 122.83 20.69 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.693 1.246 . . . . 0.0 109.951 -171.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.87 -71.72 0.38 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.709 1.203 . . . . 0.0 108.122 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -163.5 -81.58 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.721 2.408 . . . . 0.0 106.097 166.678 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 37.09 41.09 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.602 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.22 -31.51 11.69 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -107.51 -53.27 2.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.205 1.366 . . . . 0.0 110.416 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -88.98 161.32 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 125.788 1.635 . . . . 0.0 106.875 154.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 174.03 1.24 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.312 0.645 . . . . 0.0 112.454 172.19 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -50.47 138.95 16.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.782 1.233 . . . . 0.0 110.511 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -116.2 -25.09 7.71 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -119.67 153.92 34.83 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.892 0.769 . . . . 0.0 110.616 -167.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.106 0 O-C-N 121.912 -0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.03 173.5 0.18 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.514 1.926 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -18.23 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.91 -16.49 64.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.672 1.189 . . . . 0.0 113.533 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -58.2 -20.61 42.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.427 1.491 . . . . 0.0 113.031 167.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 19.08 3.52 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.792 2.139 . . . . 0.0 112.705 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -137.67 138.09 39.06 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.817 1.247 . . . . 0.0 111.481 -177.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.509 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 9.8 p-10 -127.48 -29.52 2.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.616 1.967 . . . . 0.0 111.502 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -168.23 -144.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.27 1.028 . . . . 0.0 109.278 -161.473 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.06 11.01 28.92 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.7 -1.056 . . . . 0.0 113.054 -176.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -91.86 -22.75 19.93 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.446 1.623 . . . . 0.0 115.274 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -44.22 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.506 1.123 . . . . 0.0 109.488 160.241 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.51 141.39 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 147.679 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -178.29 2.22 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 122.218 -0.301 . . . . 0.0 110.23 168.908 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -55.6 122.64 11.8 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.339 1.056 . . . . 0.0 109.176 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -81.44 -22.25 38.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.553 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 7' ' ' ASP . 49.8 mtmt -72.76 99.25 2.57 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.163 0.985 . . . . 0.0 109.379 169.036 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.409 -0.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 82.29 171.94 0.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 111.742 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -15.19 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.908 1.683 . . . . 0.0 112.025 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.78 -13.87 61.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.74 2.016 . . . . 0.0 113.519 -170.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -61.76 -31.75 71.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.107 . . . . 0.0 112.747 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.75 -28.49 4.21 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.496 1.522 . . . . 0.0 112.043 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -85.14 111.18 19.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.86 1.264 . . . . 0.0 109.752 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -108.39 -25.29 11.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.671 1.988 . . . . 0.0 110.363 169.25 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -174.86 -141.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.196 2.598 . . . . 0.0 107.876 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.03 6.17 1.51 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-O 117.396 -1.78 . . . . 0.0 115.303 160.166 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.99 -68.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.628 1.714 . . . . 0.0 113.278 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -115.68 -59.68 1.97 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.22 1.408 . . . . 0.0 108.446 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.37 129.9 22.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.357 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 152.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -79.46 -158.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.747 0.819 . . . . 0.0 110.4 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -66.71 119.86 12.51 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.623 -0.673 . . . . 0.0 109.489 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -94.88 137.93 33.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.397 1.479 . . . . 0.0 108.625 -176.529 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.39 119.43 12.73 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -160.092 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.108 0 O-C-N 122.022 -0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -156.57 144.17 19.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.176 0.99 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 80.64 -14.7 0.81 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 129.233 3.013 . . . . 0.0 114.205 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -66.61 -12.0 56.04 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.973 1.26 . . . . 0.0 113.734 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -57.34 -26.38 60.88 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.772 0.829 . . . . 0.0 112.744 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.11 -8.11 3.82 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.55 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -102.6 129.13 49.07 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.275 1.43 . . . . 0.0 109.857 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.01 -47.19 3.61 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.299 1.439 . . . . 0.0 108.552 162.256 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p -158.87 -130.42 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 129.631 3.172 . . . . 0.0 104.146 -175.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.08 32.89 0.76 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.275 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.73 -49.09 16.84 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.036 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 -38.01 1.22 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.348 1.431 . . . . 0.0 110.819 172.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 147.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -86.26 -174.84 5.25 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.692 0.678 . . . . 0.0 110.505 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -57.14 126.23 26.26 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.028 1.731 . . . . 0.0 111.285 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -103.72 29.16 5.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 112.004 -170.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -64.66 -14.26 57.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.021 0 CA-C-N 118.821 0.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -163.75 162.52 23.97 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.939 0.876 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.34 -34.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.166 2.186 . . . . 0.0 110.477 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.32 -2.59 25.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.926 2.09 . . . . 0.0 114.763 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -49.42 -28.97 5.72 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.86 1.264 . . . . 0.0 112.981 163.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.87 20.27 0.36 Allowed Glycine 0 CA--C 1.528 0.871 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.447 165.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -89.1 133.68 34.29 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.09 1.445 . . . . 0.0 110.312 166.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 -23.97 1.55 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.314 2.246 . . . . 0.0 110.536 169.542 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -174.21 -130.23 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.099 2.56 . . . . 0.0 105.812 -167.884 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.64 11.17 21.86 Favored Glycine 0 C--O 1.219 -0.842 0 CA-C-O 118.069 -1.406 . . . . 0.0 113.191 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -25.76 34.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.963 1.382 . . . . 0.0 113.831 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -153.4 -62.48 0.14 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.701 1.2 . . . . 0.0 108.189 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.75 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 147.513 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -69.48 177.68 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.799 0.839 . . . . 0.0 110.663 170.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -59.25 126.96 29.79 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.759 0.824 . . . . 0.0 110.903 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -99.51 -7.16 26.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.913 0.885 . . . . 0.0 111.814 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -152.59 -60.71 0.15 Allowed 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.422 1.489 . . . . 0.0 110.413 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.193 0 O-C-N 121.935 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 70.67 178.06 0.26 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.559 1.944 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.68 -14.63 0.06 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.19 -11.59 59.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.31 0.959 . . . . 0.0 113.55 -169.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -62.02 -20.59 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.534 1.133 . . . . 0.0 111.771 165.853 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.85 26.3 3.3 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.364 1.935 . . . . 0.0 112.692 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -148.4 115.93 6.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.798 1.239 . . . . 0.0 109.18 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -109.77 -26.36 9.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.237 1.415 . . . . 0.0 112.136 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -175.91 -158.7 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.487 2.315 . . . . 0.0 108.35 -170.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.79 33.6 0.51 Allowed Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.346 -1.252 . . . . 0.0 114.741 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -92.78 -21.4 19.95 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.898 1.349 . . . . 0.0 114.306 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -170.48 -60.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.379 2.272 . . . . 0.0 106.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.7 135.78 22.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 149.639 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -75.9 -170.07 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.519 1.128 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -56.6 139.45 49.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.655 0.782 . . . . 0.0 109.231 164.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -122.39 -3.45 8.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.811 1.244 . . . . 0.0 111.591 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -157.43 -61.0 0.09 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.297 0.953 . . . . 0.0 113.075 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.109 0 O-C-N 121.34 -0.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 73.55 169.94 0.31 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.703 2.401 . . . . 0.0 112.152 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.07 -8.56 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.128 1.371 . . . . 0.0 112.951 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.45 -14.49 62.27 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 120.054 1.297 . . . . 0.0 113.593 -174.372 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -58.89 -28.92 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.337 1.055 . . . . 0.0 113.005 168.666 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.83 4.31 8.53 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.751 1.643 . . . . 0.0 113.436 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -117.28 128.66 55.28 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.704 1.602 . . . . 0.0 109.468 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -121.59 -37.18 2.93 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.057 1.343 . . . . 0.0 110.998 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -157.07 -122.75 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.162 1.785 . . . . 0.0 108.106 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.57 9.51 23.13 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 117.887 -1.507 . . . . 0.0 114.949 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -88.23 0.26 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.543 1.672 . . . . 0.0 110.196 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -41.6 20.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.005 1.73 . . . . 0.0 110.838 174.026 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.01 162.54 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 108.883 164.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -82.24 178.59 8.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.684 -0.635 . . . . 0.0 111.228 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -63.17 131.71 49.36 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 151.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.54 -17.56 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.41 146.52 42.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.702 1.137 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 122.022 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 74.34 162.32 0.25 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.797 2.439 . . . . 0.0 111.72 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.38 -27.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.001 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -83.19 8.85 12.02 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.371 1.068 . . . . 0.0 113.714 -167.659 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -65.57 -27.18 68.25 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.939 0.896 . . . . 0.0 111.255 158.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.68 26.79 3.8 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.354 1.931 . . . . 0.0 112.351 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -152.32 143.29 23.06 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.533 1.167 . . . . 0.0 112.321 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.28 135.08 10.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.936 1.694 . . . . 0.0 107.336 149.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m 54.77 -138.65 1.07 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.783 1.233 . . . . 0.0 111.026 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.27 4.43 28.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.682 171.466 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -79.76 -21.63 44.19 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.73 1.765 . . . . 0.0 115.485 -170.201 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -163.34 -51.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.645 1.578 . . . . 0.0 107.811 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.88 133.77 25.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 147.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -76.5 -176.84 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.504 0.322 . . . . 0.0 110.169 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -55.74 131.75 47.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.96 0.904 . . . . 0.0 112.312 -171.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -103.09 175.18 5.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.694 1.998 . . . . 0.0 109.81 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.67 81.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.205 1.002 . . . . 0.0 109.16 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.018 0 O-C-N 121.682 -0.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -161.55 174.99 12.59 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.016 0.913 . . . . 0.0 111.757 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.62 -18.94 0.16 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.176 1.79 . . . . 0.0 111.867 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.45 -13.31 60.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.257 2.223 . . . . 0.0 114.338 -164.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -55.63 -25.63 39.98 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.207 1.403 . . . . 0.0 113.302 166.135 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.59 2.12 1.67 Allowed Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.156 1.36 . . . . 0.0 113.893 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -99.72 132.03 45.32 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.073 1.349 . . . . 0.0 109.883 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -119.46 -35.6 3.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.265 1.826 . . . . 0.0 109.416 164.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.4 p -167.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.901 2.48 . . . . 0.0 107.067 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.37 8.88 2.78 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.324 -1.264 . . . . 0.0 114.492 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -21.31 24.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -166.251 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.75 -34.89 0.08 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.299 1.409 . . . . 0.0 110.985 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.57 138.62 21.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 145.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -179.78 7.52 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.242 0.473 . . . . 0.0 110.874 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -61.39 133.24 55.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.442 1.097 . . . . 0.0 110.845 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -143.33 141.71 31.05 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.475 1.11 . . . . 0.0 108.506 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -74.94 121.27 21.66 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 110.13 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 122.167 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -173.08 148.38 1.71 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.615 1.566 . . . . 0.0 112.256 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.39 -30.8 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.02 -7.77 50.7 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -163.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -55.1 -22.23 15.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.667 1.187 . . . . 0.0 112.455 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.24 -13.64 1.31 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-O 118.101 -1.389 . . . . 0.0 113.143 163.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -84.17 90.95 7.59 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.579 1.69 . . . . 0.0 110.535 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.74 -31.02 36.11 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.207 1.403 . . . . 0.0 111.223 162.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -179.74 -170.86 0.17 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.547 3.139 . . . . 0.0 108.175 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.73 13.02 0.03 OUTLIER Glycine 0 C--N 1.342 0.909 0 CA-C-O 117.202 -1.888 . . . . 0.0 116.42 164.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.54 -24.24 45.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.378 2.089 . . . . 0.0 115.717 -171.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -160.61 -56.57 0.05 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.399 1.479 . . . . 0.0 107.749 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -56.82 130.29 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 143.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.76 177.92 7.21 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 111.171 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -47.35 137.18 8.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.006 150.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -141.19 1.78 1.64 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.943 1.297 . . . . 0.0 112.201 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -80.98 79.21 7.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.071 1.349 . . . . 0.0 108.684 171.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.138 0 O-C-N 121.746 -0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.43 -168.32 0.79 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.89 -6.87 0.16 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.123 1.769 . . . . 0.0 113.106 170.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.54 -21.75 65.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 120.067 1.303 . . . . 0.0 113.385 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -58.75 -26.85 64.38 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.193 0.997 . . . . 0.0 112.888 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.65 19.29 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.746 1.641 . . . . 0.0 112.286 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -135.17 125.32 26.09 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -138.15 -63.84 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 128.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.1 m -130.07 169.49 15.23 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-O 121.542 0.687 . . . . 0.0 112.469 -166.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.31 78.75 1.43 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 107.249 -2.341 . . . . 0.0 107.249 -160.215 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.76 -47.94 3.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.59 -1.195 . . . . 0.0 113.883 -167.057 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -30.46 13.21 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.998 1.272 . . . . 0.0 111.479 173.618 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.99 158.07 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.06 1.344 . . . . 0.0 107.919 148.224 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -66.3 168.7 8.34 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.172 -0.955 . . . . 0.0 110.805 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.06 139.44 46.93 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.653 1.181 . . . . 0.0 112.914 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -134.9 121.02 19.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.089 1.355 . . . . 0.0 107.729 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -110.22 146.06 36.23 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.753 1.221 . . . . 0.0 110.026 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 CA-C-N 116.544 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 65.59 167.08 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.162 2.185 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.67 -30.05 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.063 0.945 . . . . 0.0 112.615 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.35 0.93 23.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.16 1.384 . . . . 0.0 113.293 -170.731 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -59.4 -17.94 34.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.432 1.093 . . . . 0.0 112.628 161.208 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.95 -2.81 0.84 Allowed Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.579 -1.678 . . . . 0.0 113.078 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -103.51 112.79 25.86 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 119.515 1.657 . . . . 0.0 111.999 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -103.69 165.23 11.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.125 143.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -59.12 -41.66 88.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -155.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.7 14.27 81.48 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.125 -1.375 . . . . 0.0 116.35 164.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -76.73 -10.51 59.43 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -169.82 -60.41 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.323 1.449 . . . . 0.0 107.541 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.72 129.23 20.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 149.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -73.53 -179.88 3.73 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.768 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -51.06 121.19 5.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 157.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.92 140.43 29.62 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -153.32 -86.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 121.744 -0.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.73 168.77 10.46 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.076 1.35 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.2 -11.85 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.084 1.754 . . . . 0.0 111.888 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.92 -16.71 63.62 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.746 2.418 . . . . 0.0 113.894 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -64.35 -27.07 68.77 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.321 1.449 . . . . 0.0 113.152 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.81 0.66 9.24 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.213 1.863 . . . . 0.0 112.211 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -114.52 118.85 34.91 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 125.312 1.445 . . . . 0.0 109.397 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.22 -20.91 11.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.94 1.296 . . . . 0.0 110.449 160.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -174.89 -143.03 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.54 2.336 . . . . 0.0 108.715 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.48 8.68 1.27 Allowed Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.568 -1.129 . . . . 0.0 113.353 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -127.41 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.299 2.24 . . . . 0.0 111.476 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -25.13 66.97 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.713 1.597 . . . . 0.0 113.716 -173.461 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.86 134.5 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 154.627 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -76.24 163.04 27.43 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.323 1.049 . . . . 0.0 112.086 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -46.59 128.79 10.71 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.01 0.924 . . . . 0.0 110.753 165.706 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -173.01 149.84 1.92 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.37 2.268 . . . . 0.0 108.53 -175.047 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -163.25 99.62 0.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.957 0.884 . . . . 0.0 109.726 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 115.966 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -162.72 142.01 9.01 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.111 1.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . . . 95.53 -13.17 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.081 3.352 . . . . 0.0 113.388 174.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.19 -21.72 66.8 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -169.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 2' ' ' ALA . 4.0 p90 -58.84 -15.15 11.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.297 1.839 . . . . 0.0 114.325 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.28 12.14 0.91 Allowed Glycine 0 CA--C 1.527 0.821 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.738 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 50.3 t60 -91.32 111.11 22.46 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 118.74 1.27 . . . . 0.0 111.73 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.74 172.44 8.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.837 139.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -81.13 -22.35 39.13 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 117.501 -1.238 . . . . 0.0 114.256 -168.48 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.69 42.56 52.5 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-O 118.461 -1.188 . . . . 0.0 115.442 158.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -79.12 -14.55 59.05 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -164.086 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.24 -64.0 0.12 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.7 128.62 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 144.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -167.14 0.27 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.333 0.653 . . . . 0.0 111.685 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 3.7 m170 -53.76 139.79 31.74 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.746 -0.596 . . . . 0.0 111.427 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -131.68 106.84 8.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.48 1.512 . . . . 0.0 107.34 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -140.56 -1.7 1.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.938 1.295 . . . . 0.0 112.812 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 121.348 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.56 149.68 50.11 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.742 0.651 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.89 -29.76 4.89 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.16 1.384 . . . . 0.0 111.705 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -64.21 -20.7 66.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.67 1.988 . . . . 0.0 113.404 -173.374 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -57.36 -30.91 65.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.007 1.323 . . . . 0.0 112.827 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.49 22.04 4.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.494 1.997 . . . . 0.0 111.439 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -130.61 118.84 21.59 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.344 1.457 . . . . 0.0 108.203 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.13 -37.49 9.3 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 156.54 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -168.83 -85.04 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.539 1.535 . . . . 0.0 110.669 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.95 46.61 28.2 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -159.172 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -73.27 -104.9 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.497 2.319 . . . . 0.0 111.656 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -29.21 23.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.121 0.873 . . . . 0.0 110.472 162.316 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.84 161.91 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.802 1.641 . . . . 0.0 108.824 150.612 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.435 ' H ' ' HD2' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -109.41 165.76 11.39 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.512 -0.743 . . . . 0.0 110.672 173.648 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -58.4 133.92 56.18 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.445 0.698 . . . . 0.0 109.189 165.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -141.03 155.44 46.18 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.749 1.22 . . . . 0.0 109.843 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -84.19 141.91 30.7 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.295 1.038 . . . . 0.0 110.118 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.105 0 O-C-N 121.968 -0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -171.52 154.89 3.93 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.312 1.007 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' B' ' 6' ' ' HIS . . . -168.01 -19.86 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.47 1.908 . . . . 0.0 112.12 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.64 -6.93 52.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -163.551 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -63.37 -29.38 70.7 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.299 1.039 . . . . 0.0 111.596 168.256 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.91 -3.29 12.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.643 1.592 . . . . 0.0 113.22 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -115.84 124.14 49.94 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 118.957 1.379 . . . . 0.0 110.085 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.67 -11.89 8.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.156 1.782 . . . . 0.0 112.396 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p 172.51 -176.84 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.603 3.161 . . . . 0.0 108.544 -168.24 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.42 18.98 0.04 OUTLIER Glycine 0 CA--C 1.528 0.867 0 CA-C-O 118.884 -0.953 . . . . 0.0 114.634 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -104.55 -16.02 15.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.954 1.702 . . . . 0.0 113.345 -167.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -166.44 -55.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.244 1.818 . . . . 0.0 107.975 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.5 137.05 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 147.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 ptt-85 -80.04 -13.63 59.16 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 141.97 149.63 0.0 OUTLIER 'General case' 0 C--O 1.237 0.422 1 C-N-CA 132.156 4.182 . . . . 0.0 102.846 -159.28 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -109.01 -19.28 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.316 154.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -81.01 86.52 6.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.243 1.017 . . . . 0.0 108.791 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 O-C-N 121.516 -0.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -160.2 175.87 12.41 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.792 0.806 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 -14.71 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.201 2.2 . . . . 0.0 111.257 170.452 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -63.12 -22.61 66.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.167 2.187 . . . . 0.0 113.286 -172.185 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -51.72 -32.14 29.08 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.901 1.28 . . . . 0.0 112.471 169.046 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.72 5.46 6.56 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.881 1.705 . . . . 0.0 113.664 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.506 ' CD2' ' HB1' ' A' ' 2' ' ' ALA . 66.0 t60 -122.58 138.24 54.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.881 1.34 . . . . 0.0 111.722 -174.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -132.79 -28.77 1.56 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.128 153.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -152.82 -158.14 0.86 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.442 1.897 . . . . 0.0 109.466 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.9 -16.3 0.81 Allowed Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.975 -0.903 . . . . 0.0 114.416 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -57.02 -43.15 81.58 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.46 1.904 . . . . 0.0 114.502 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -150.52 -42.44 0.13 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.784 0.834 . . . . 0.0 110.284 -174.168 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -67.94 129.94 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 144.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -69.31 176.19 3.49 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.92 0.888 . . . . 0.0 109.686 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.38 125.14 22.42 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 118.983 0.811 . . . . 0.0 108.992 172.725 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.15 -2.92 46.78 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.085 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -161.16 162.33 31.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.54 1.136 . . . . 0.0 111.138 -158.128 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 O-C-N 120.601 -1.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 127.91 140.09 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 130.56 3.544 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 -9.95 0.07 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.612 1.965 . . . . 0.0 112.423 167.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.4 -10.86 58.06 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.422 1.489 . . . . 0.0 114.822 -167.079 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -53.33 -31.85 46.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.87 1.268 . . . . 0.0 112.615 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 -18.69 3.39 Favored Glycine 0 C--N 1.342 0.913 0 C-N-CA 125.168 1.365 . . . . 0.0 112.092 168.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.403 ' CD2' ' HB1' ' B' ' 2' ' ' ALA . 20.6 t60 -85.92 100.13 11.89 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 -174.519 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -75.95 -79.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.41 153.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -145.56 -58.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 170.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.76 28.85 49.85 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 118.443 -1.199 . . . . 0.0 113.779 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -67.58 -22.06 65.39 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -166.13 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -163.14 -53.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.099 1.318 . . . . 0.0 108.109 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.63 126.16 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 145.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 177.78 1.1 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.44 1.096 . . . . 0.0 111.585 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -43.56 137.55 2.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.432 1.493 . . . . 0.0 112.591 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -136.89 153.16 50.82 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.552 1.141 . . . . 0.0 109.895 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -169.91 7.24 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.169 2.187 . . . . 0.0 111.385 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.078 0 O-C-N 120.949 -1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -166.58 178.14 6.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.326 1.06 . . . . 0.0 113.085 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.429 ' H ' ' H ' ' B' ' 3' ' ' GLU . . . -165.87 -17.33 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 128.62 2.768 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' H ' ' H ' ' B' ' 2' ' ' ALA . 57.1 mt-10 -66.29 -12.9 59.2 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 127.032 2.133 . . . . 0.0 114.527 -174.822 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -56.22 -35.02 66.85 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.003 0.82 . . . . 0.0 111.651 165.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.66 58.37 0.65 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 126.025 1.774 . . . . 0.0 109.005 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -164.28 137.43 5.11 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.006 1.322 . . . . 0.0 111.129 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.87 -28.84 1.74 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.172 1.389 . . . . 0.0 110.682 156.704 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -160.47 -127.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.445 1.498 . . . . 0.0 108.7 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.58 21.16 48.93 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.047 -1.418 . . . . 0.0 111.688 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -68.9 0.62 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 117.159 -1.401 . . . . 0.0 112.273 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -45.49 9.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.436 1.471 . . . . 0.0 111.03 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.59 164.61 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.819 1.248 . . . . 0.0 108.366 156.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ARG . . . . . 0.497 ' HD3' ' H ' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -95.9 171.98 8.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.897 0.771 . . . . 0.0 110.501 166.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.421 ' HD1' ' NZ ' ' B' ' 16' ' ' LYS . 25.8 m-70 -65.86 121.08 14.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 159.653 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -106.03 -2.04 23.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.066 -173.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.421 ' NZ ' ' HD1' ' B' ' 14' ' ' HIS . 25.6 pttm -79.48 156.74 27.69 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 112.951 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.119 0 O-C-N 121.96 -0.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -151.9 141.8 22.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.402 0.681 . . . . 0.0 111.634 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 97.44 -15.08 0.06 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 130.236 3.415 . . . . 0.0 114.259 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.39 -14.76 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.862 1.21 . . . . 0.0 114.128 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -60.18 -36.12 76.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.209 0.913 . . . . 0.0 112.204 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.29 19.07 11.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.394 1.473 . . . . 0.0 112.521 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -137.3 138.72 40.32 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.74 1.27 . . . . 0.0 112.024 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -96.78 -103.9 0.17 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.181 2.592 . . . . 0.0 109.368 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -137.1 -57.4 0.71 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.633 1.973 . . . . 0.0 108.335 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.04 42.35 3.07 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.033 0.825 . . . . 0.0 113.717 169.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -75.93 -26.23 56.71 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -168.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -160.95 -55.76 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.644 1.178 . . . . 0.0 107.895 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.45 123.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 143.865 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -92.39 -39.93 11.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.454 -170.383 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.39 118.51 21.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.843 0.714 . . . . 0.0 109.27 164.6 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -82.03 174.11 11.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.391 1.876 . . . . 0.0 109.173 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -66.11 11.64 0.08 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -162.352 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 O-C-N 120.397 -1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 t0 67.92 175.75 0.26 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.415 1.886 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.93 -34.82 0.08 Allowed 'General case' 0 C--N 1.34 0.171 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.327 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.06 -5.72 23.71 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -55.5 -22.18 20.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.87 0.868 . . . . 0.0 113.052 164.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.25 -10.13 0.17 Allowed Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.646 -1.085 . . . . 0.0 114.059 172.061 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -74.06 107.95 6.57 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.159 1.479 . . . . 0.0 108.701 174.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.82 -46.49 7.84 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 152.04 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -159.79 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.685 2.394 . . . . 0.0 108.205 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.29 22.89 0.55 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.71 1.624 . . . . 0.0 114.428 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -9.0 58.32 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -169.49 -73.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 p -53.51 130.4 15.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 149.443 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -166.3 0.33 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 111.194 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -54.33 120.0 5.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 168.663 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -89.83 -21.32 22.63 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.37 1.468 . . . . 0.0 110.771 176.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? 49.11 35.25 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.684 1.994 . . . . 0.0 114.439 168.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.016 0 O-C-N 121.477 -0.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -161.9 145.8 12.41 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.272 1.029 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.53 -48.37 0.02 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.669 0.788 . . . . 0.0 112.376 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.62 -6.57 57.36 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -154.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -52.62 -40.37 62.67 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.464 0.706 . . . . 0.0 111.062 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.61 0.13 4.55 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-O 117.908 -1.495 . . . . 0.0 114.005 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.437 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 74.2 t60 -78.87 94.85 5.26 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 119.19 1.495 . . . . 0.0 109.028 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -73.63 -160.44 0.09 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.834 2.054 . . . . 0.0 109.685 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -81.29 23.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.742 0.817 . . . . 0.0 111.804 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.8 4.2 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.647 2.07 . . . . 0.0 111.405 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.3 -10.13 28.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.725 1.61 . . . . 0.0 114.725 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -148.84 -48.61 0.15 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.695 1.198 . . . . 0.0 109.171 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.36 142.78 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 147.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -67.04 157.69 32.87 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.801 -0.562 . . . . 0.0 110.673 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 7.2 m-70 -50.36 113.93 1.0 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.483 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.46 -10.81 57.17 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.906 0.754 . . . . 0.0 112.506 -159.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -109.72 121.09 44.43 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 125.293 1.437 . . . . 0.0 109.111 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.054 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -151.98 145.11 24.59 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.18 -33.65 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.011 1.725 . . . . 0.0 113.476 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.08 -8.75 25.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.489 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -59.81 -24.51 64.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.834 0.743 . . . . 0.0 112.035 171.203 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.69 9.42 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.626 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' B' ' 7' ' ' ASP . 85.2 t60 -79.82 162.33 25.14 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.372 1.586 . . . . 0.0 111.786 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ASP . . . . . 0.436 ' H ' ' CG ' ' B' ' 6' ' ' HIS . 40.3 p-10 -172.34 -125.56 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.054 2.542 . . . . 0.0 107.611 -163.204 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -98.16 -70.48 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.139 0.975 . . . . 0.0 108.792 172.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.9 20.7 78.96 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 117.959 -1.467 . . . . 0.0 114.683 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -19.81 28.71 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -167.461 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.2 -36.0 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.948 1.299 . . . . 0.0 110.278 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.82 139.88 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 140.206 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -79.29 176.77 9.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.043 0.449 . . . . 0.0 110.442 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -50.92 131.26 26.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.805 0.842 . . . . 0.0 110.169 162.334 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -114.18 -28.37 7.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.116 1.366 . . . . 0.0 111.356 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -79.84 117.34 20.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.106 1.362 . . . . 0.0 109.346 -172.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 O-C-N 122.09 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -170.27 155.13 5.16 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.971 1.308 . . . . 0.0 112.188 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 173.67 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.509 1.924 . . . . 0.0 113.731 171.467 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.28 -30.5 64.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -156.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -55.54 -39.68 70.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.448 1.899 . . . . 0.0 114.068 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.63 12.66 18.25 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.588 -1.118 . . . . 0.0 112.921 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 81.7 t60 -96.18 144.38 26.45 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.302 1.041 . . . . 0.0 113.541 -169.218 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -146.52 164.7 31.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.699 -1.591 . . . . 0.0 109.205 156.502 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 -9.71 45.95 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -145.687 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.5 -10.75 30.64 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 117.102 1.601 . . . . 0.0 117.102 160.343 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -18.3 43.52 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.931 1.866 . . . . 0.0 115.919 -165.742 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -169.95 -48.73 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.626 1.57 . . . . 0.0 108.678 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -67.85 131.33 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 144.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -99.44 -97.13 0.24 Allowed 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 4.1 m-70 -119.67 141.16 49.61 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 161.157 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -147.03 154.85 41.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.792 1.637 . . . . 0.0 110.051 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -105.99 -83.47 0.52 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.536 173.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.091 0 CA-C-N 119.639 1.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -161.41 166.82 26.74 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.11 1.364 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.83 -28.8 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.028 1.331 . . . . 0.0 112.768 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.6 -4.7 28.55 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -59.15 -28.69 66.82 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.534 -0.729 . . . . 0.0 112.571 164.234 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.31 1.23 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.799 1.666 . . . . 0.0 113.349 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -101.31 126.23 48.03 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.623 1.212 . . . . 0.0 109.677 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -110.1 -38.68 5.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.467 1.907 . . . . 0.0 109.177 161.015 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -168.62 -81.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.357 1.863 . . . . 0.0 109.114 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.96 40.92 8.99 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.474 0.579 . . . . 0.0 112.437 -177.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -71.83 -28.8 63.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -166.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.01 -59.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.648 1.579 . . . . 0.0 107.458 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -61.39 134.45 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 146.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -69.91 -178.33 1.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.125 0.42 . . . . 0.0 111.308 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -52.57 128.6 26.57 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.092 0.957 . . . . 0.0 111.388 -172.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -102.45 -17.78 15.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.227 -167.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -66.69 -6.7 16.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.61 1.164 . . . . 0.0 114.027 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.046 0 O-C-N 120.93 -1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.34 146.52 17.01 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.05 0.94 . . . . 0.0 111.889 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 87.44 -9.69 0.58 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 129.185 2.994 . . . . 0.0 114.099 170.291 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.71 -19.38 65.74 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -59.92 -35.92 75.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.177 1.391 . . . . 0.0 113.876 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.2 -0.82 10.47 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.355 1.455 . . . . 0.0 112.909 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.517 ' CD2' ' HB1' ' B' ' 2' ' ' ALA . 75.0 t60 -85.74 150.82 24.31 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.324 1.062 . . . . 0.0 110.825 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -175.13 -163.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.102 -147.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p -48.37 -54.35 14.28 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 123.885 0.874 . . . . 0.0 110.04 167.441 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.65 2.22 20.85 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.271 164.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.46 3.04 42.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.191 1.495 . . . . 0.0 114.958 -162.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -155.16 -54.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.122 1.369 . . . . 0.0 107.49 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.9 144.52 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.558 1.143 . . . . 0.0 108.968 150.336 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.3 -22.86 24.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.923 -170.515 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 171.2 152.21 0.05 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.628 2.771 . . . . 0.0 108.849 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -138.1 110.41 7.4 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.554 1.142 . . . . 0.0 109.773 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -84.83 -66.53 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 163.207 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.094 0 O-C-N 121.802 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.0 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.39 -166.37 0.14 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.091 1.756 . . . . 0.0 110.81 . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.517 ' HB1' ' CD2' ' A' ' 6' ' ' HIS . . . -161.65 -16.56 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.002 1.321 . . . . 0.0 112.715 175.232 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.45 -11.53 59.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.19 1.396 . . . . 0.0 114.42 -170.34 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -58.93 -24.38 62.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.062 0.945 . . . . 0.0 111.961 165.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.61 35.84 1.9 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.461 1.981 . . . . 0.0 111.164 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -142.68 135.75 28.36 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.494 1.147 . . . . 0.0 112.001 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -177.53 -36.1 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.277 3.031 . . . . 0.0 108.458 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -99.52 176.79 5.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.444 1.498 . . . . 0.0 110.311 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.99 83.58 1.29 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 109.214 -1.555 . . . . 0.0 109.214 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.21 -25.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.742 1.617 . . . . 0.0 112.793 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -171.91 -50.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.862 2.465 . . . . 0.0 107.077 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.75 135.51 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 146.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 172.13 13.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.587 0.63 . . . . 0.0 109.543 166.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -57.69 128.58 37.79 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.805 -0.559 . . . . 0.0 111.14 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -82.61 133.61 35.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.321 1.448 . . . . 0.0 108.103 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttt 162.08 54.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 128.041 2.536 . . . . 0.0 109.866 -166.87 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 121.163 -0.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -111.34 117.57 33.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 -46.11 0.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.644 1.177 . . . . 0.0 111.192 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.77 -19.25 62.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.522 1.929 . . . . 0.0 114.354 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -57.04 -25.7 59.06 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.938 1.695 . . . . 0.0 113.487 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.47 35.9 2.01 Favored Glycine 0 C--N 1.34 0.798 0 C-N-CA 124.939 1.256 . . . . 0.0 111.524 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 13.1 t60 -138.22 149.29 45.65 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 122.924 1.345 . . . . 0.0 113.95 -173.27 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -164.23 -163.5 0.77 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.753 3.221 . . . . 0.0 107.856 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 m -95.01 -26.98 15.85 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.075 -1.015 . . . . 0.0 113.439 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.7 21.04 60.45 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-O 118.288 -1.284 . . . . 0.0 115.899 162.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -16.46 57.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -167.143 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 -49.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.085 1.766 . . . . 0.0 111.099 167.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.21 128.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 146.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -89.26 179.94 6.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 0.0 109.456 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -43.32 121.96 2.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.061 1.344 . . . . 0.0 112.144 178.676 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.58 163.93 12.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.334 1.454 . . . . 0.0 108.144 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -161.72 126.15 3.36 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.568 0.747 . . . . 0.0 109.339 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.296 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 96.47 -159.58 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.93 2.492 . . . . 0.0 111.89 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.87 -19.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.554 1.542 . . . . 0.0 113.42 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -75.45 -8.06 55.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.857 1.263 . . . . 0.0 114.269 -160.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -58.67 -20.36 47.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.758 1.623 . . . . 0.0 113.765 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.66 7.61 2.23 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 117.793 -1.56 . . . . 0.0 112.894 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -110.29 138.62 46.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.666 1.733 . . . . 0.0 111.661 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.91 -19.17 0.66 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.681 1.592 . . . . 0.0 111.339 160.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 p -164.45 -139.73 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.797 1.639 . . . . 0.0 110.017 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.77 7.09 8.22 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.937 1.256 . . . . 0.0 113.402 -173.156 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.71 -13.9 21.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -168.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -46.81 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.505 1.048 . . . . 0.0 109.816 165.77 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.54 136.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 146.499 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -90.88 169.77 10.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.827 0.451 . . . . 0.0 110.46 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -59.27 138.76 57.49 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.484 0.714 . . . . 0.0 111.01 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.44 158.75 32.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.432 1.093 . . . . 0.0 110.767 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -138.19 136.79 36.96 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.018 0.927 . . . . 0.0 110.724 -164.719 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.051 0 O-C-N 122.202 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -163.3 141.93 8.17 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.164 0.985 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.02 -5.35 0.12 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 129.858 3.263 . . . . 0.0 113.935 172.362 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -71.03 -7.9 49.59 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -66.89 -19.3 65.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.784 1.233 . . . . 0.0 112.719 169.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.26 14.04 4.87 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.638 1.59 . . . . 0.0 112.733 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -139.92 124.51 18.18 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.698 1.249 . . . . 0.0 111.255 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -76.83 -61.43 1.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.361 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -175.68 -45.71 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.444 2.298 . . . . 0.0 108.206 -167.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.11 8.92 87.19 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.107 -1.385 . . . . 0.0 115.515 162.182 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -80.31 -19.82 45.7 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -165.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -172.41 -55.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.034 2.134 . . . . 0.0 105.994 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.97 151.62 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 148.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.3 128.57 6.09 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-O 121.538 0.685 . . . . 0.0 111.969 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m170 58.87 40.02 23.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.575 2.35 . . . . 0.0 112.76 171.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -103.1 137.45 41.25 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.393 1.477 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -128.08 -43.82 1.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.221 1.009 . . . . 0.0 110.865 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.005 0 O-C-N 121.489 -0.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 t0 78.36 159.3 0.19 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.305 2.242 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.57 -34.64 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.373 1.069 . . . . 0.0 112.84 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.94 -15.56 63.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.26 1.024 . . . . 0.0 113.284 -172.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -52.01 -24.55 6.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.849 1.26 . . . . 0.0 112.906 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.29 -6.0 1.97 Allowed Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.294 -1.837 . . . . 0.0 113.8 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -103.59 124.81 49.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.745 2.272 . . . . 0.0 112.208 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.91 -25.17 7.34 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.274 1.029 . . . . 0.0 110.317 147.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -162.86 -145.18 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.969 1.708 . . . . 0.0 110.056 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.4 19.18 1.73 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.298 1.428 . . . . 0.0 112.012 -168.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -114.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.192 1.797 . . . . 0.0 110.616 172.531 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -37.32 70.2 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.763 1.62 . . . . 0.0 112.283 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.04 140.07 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 160.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -78.69 -176.71 5.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.302 0.641 . . . . 0.0 110.726 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.64 118.79 6.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.224 1.01 . . . . 0.0 110.998 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -161.41 153.75 20.05 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.096 1.359 . . . . 0.0 110.504 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -102.53 -92.57 0.33 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.434 1.094 . . . . 0.0 108.961 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 121.302 -0.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -173.33 141.07 0.88 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.468 1.507 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.49 -20.36 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.041 1.736 . . . . 0.0 112.89 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.25 -23.02 66.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.482 1.513 . . . . 0.0 114.769 -164.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -54.68 -43.83 72.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.486 1.514 . . . . 0.0 112.872 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.39 -6.85 10.37 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.961 1.267 . . . . 0.0 113.231 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -76.43 160.13 29.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.583 1.153 . . . . 0.0 110.833 172.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -160.86 -166.4 1.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.538 0.735 . . . . 0.0 112.572 -157.406 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.55 -23.46 22.0 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.53 15.4 66.17 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.693 160.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -126.51 -10.64 6.26 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.871 1.836 . . . . 0.0 115.343 -172.455 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -167.87 -49.19 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.72 1.608 . . . . 0.0 107.896 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 135.72 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 143.372 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -124.31 -177.53 3.82 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.653 1.181 . . . . 0.0 107.894 164.456 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.07 134.18 32.63 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.104 0.562 . . . . 0.0 110.78 -176.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.52 95.18 1.36 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 108.211 -174.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -156.93 -161.64 1.12 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.085 1.354 . . . . 0.0 109.03 -156.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 120.417 -1.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 t70 72.83 -161.32 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.26 1.824 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.76 -12.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.04 1.336 . . . . 0.0 112.822 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.99 -8.18 42.43 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.617 1.167 . . . . 0.0 114.015 -173.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.22 -23.91 66.92 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.655 0.782 . . . . 0.0 111.914 168.107 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.63 24.11 4.16 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.165 1.84 . . . . 0.0 112.503 173.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -143.98 137.62 27.85 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.594 1.697 . . . . 0.0 110.954 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -128.47 -21.93 3.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.238 1.015 . . . . 0.0 111.046 157.177 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 93.1 p -162.09 -134.46 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.343 1.057 . . . . 0.0 111.754 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.33 19.82 8.2 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.451 1.024 . . . . 0.0 111.802 -160.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -124.57 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.968 1.307 . . . . 0.0 110.164 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -31.58 72.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.161 1.346 . . . . 0.0 112.781 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.05 136.84 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 157.691 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -81.95 162.14 22.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.426 1.09 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 123.72 4.72 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.859 1.264 . . . . 0.0 112.865 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.33 -41.18 12.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.731 0.812 . . . . 0.0 112.061 -159.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -159.02 145.16 16.68 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 110.713 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 O-C-N 122.073 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t0 . . . . . 0 CA--C 1.538 0.504 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.12 -19.78 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 114.155 172.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.27 -11.12 60.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -166.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -59.18 -18.86 40.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.792 1.237 . . . . 0.0 112.581 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.14 -15.97 2.0 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.148 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -95.31 121.24 36.77 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.935 1.368 . . . . 0.0 112.172 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -62.71 1.21 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.578 1.951 . . . . 0.0 108.339 165.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -147.48 -128.52 0.06 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.92 1.688 . . . . 0.0 107.49 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.97 16.67 0.85 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-O 117.438 -1.757 . . . . 0.0 114.786 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -79.7 -24.57 41.63 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.659 1.73 . . . . 0.0 115.404 -167.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -159.08 -54.71 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.473 1.509 . . . . 0.0 107.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.01 129.61 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 145.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -85.96 156.37 20.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.411 0.685 . . . . 0.0 109.638 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -36.79 127.97 0.86 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.108 2.163 . . . . 0.0 112.171 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.76 -23.59 14.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.132 1.373 . . . . 0.0 112.182 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt . . . . . 0 C--N 1.344 0.359 0 C-N-CA 124.067 0.947 . . . . 0.0 110.049 -176.049 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 . . . . . 0 CA--C 1.539 0.534 0 CA-C-O 121.668 0.747 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.65 -7.44 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.018 2.127 . . . . 0.0 110.957 166.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -56.74 -26.99 58.51 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 127.821 2.448 . . . . 0.0 113.977 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -56.8 -26.14 57.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.856 1.262 . . . . 0.0 113.24 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.22 -2.95 6.34 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.679 1.609 . . . . 0.0 112.716 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -102.07 120.61 40.72 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.363 1.582 . . . . 0.0 109.865 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.27 -30.18 6.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.328 2.251 . . . . 0.0 110.535 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 89.1 p -177.94 -134.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.007 2.523 . . . . 0.0 107.284 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.97 10.62 4.67 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.29 -1.283 . . . . 0.0 113.216 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.68 -12.84 30.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -170.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -162.01 -54.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.451 1.1 . . . . 0.0 108.316 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.18 145.6 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 147.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -78.18 177.25 8.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.758 0.708 . . . . 0.0 110.137 165.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.11 130.73 30.9 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.316 1.447 . . . . 0.0 111.685 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -108.39 -36.32 6.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.561 1.545 . . . . 0.0 110.095 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 tttp . . . . . 0 CA--C 1.539 0.557 0 C-N-CA 124.886 1.274 . . . . 0.0 110.998 166.806 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.5 t0 . . . . . 0 N--CA 1.469 0.503 0 N-CA-C 109.626 -0.509 . . . . 0.0 109.626 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.54 -21.72 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.585 -1.198 . . . . 0.0 113.869 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.48 -21.24 66.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.438 1.095 . . . . 0.0 113.248 -166.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -52.1 -25.48 8.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.03 1.332 . . . . 0.0 113.206 168.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.23 10.61 4.42 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-O 117.427 -1.763 . . . . 0.0 113.658 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -124.03 135.05 53.34 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 119.442 1.621 . . . . 0.0 111.449 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -125.15 -28.35 3.42 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.2 1.4 . . . . 0.0 111.66 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -167.12 -146.94 0.08 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.576 1.55 . . . . 0.0 108.442 -167.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.47 20.9 2.84 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-O 116.994 -2.003 . . . . 0.0 113.921 170.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -88.84 -14.66 36.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.08 -53.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.406 2.283 . . . . 0.0 106.651 -177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -40.32 135.58 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 109.004 135.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -91.69 172.34 8.55 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.542 1.064 . . . . 0.0 110.003 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.42 127.39 24.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.13 0.972 . . . . 0.0 110.674 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -96.73 177.37 5.67 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.266 1.026 . . . . 0.0 110.983 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp . . . . . 0 CA--C 1.536 0.423 0 C-N-CA 125.229 1.411 . . . . 0.0 108.224 -176.335 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t0 . . . . . 0 CA--C 1.538 0.508 0 CA-C-O 121.189 0.518 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.3 -9.42 1.49 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.831 1.252 . . . . 0.0 111.742 161.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.06 -25.53 61.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.08 2.152 . . . . 0.0 113.098 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -52.24 -26.91 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.036 1.335 . . . . 0.0 113.888 172.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 16.64 3.36 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 116.806 -2.108 . . . . 0.0 112.602 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -115.84 117.48 30.33 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 108.187 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.15 -45.76 5.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.885 1.274 . . . . 0.0 108.541 164.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -159.75 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.624 1.97 . . . . 0.0 107.653 165.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.63 24.12 5.4 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.509 -1.161 . . . . 0.0 113.27 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -124.36 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.141 1.776 . . . . 0.0 111.471 173.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -26.61 63.91 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.925 1.693 . . . . 0.0 113.26 -174.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.97 141.27 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 155.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -72.76 177.29 4.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.336 1.055 . . . . 0.0 111.654 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -49.72 125.13 10.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 126.988 2.115 . . . . 0.0 112.145 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -103.6 123.17 46.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.922 1.689 . . . . 0.0 108.299 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 pttm . . . . . 0 CA--C 1.527 0.089 0 C-N-CA 123.975 0.91 . . . . 0.0 110.01 -169.231 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 . . . . . 0 CA--C 1.534 0.347 0 CA-C-O 120.975 0.417 . . . . 0.0 110.417 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.34 -25.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.249 1.419 . . . . 0.0 112.484 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.55 6.17 9.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.956 1.703 . . . . 0.0 114.058 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -66.91 -18.26 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.733 0.813 . . . . 0.0 112.178 157.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.33 21.38 0.95 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.616 1.579 . . . . 0.0 113.439 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -120.92 124.4 44.85 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 118.91 1.355 . . . . 0.0 112.04 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -107.96 168.32 9.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.305 1.842 . . . . 0.0 108.096 146.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -41.34 -67.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.878 1.671 . . . . 0.0 114.573 -167.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 13.71 73.76 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 117.449 -1.751 . . . . 0.0 115.473 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -72.16 -18.47 61.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -165.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -161.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.474 1.488 . . . . 0.0 110.416 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.76 130.35 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 145.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.65 -176.33 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.522 1.129 . . . . 0.0 110.747 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -52.66 135.99 33.83 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -120.27 121.71 39.27 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.666 1.586 . . . . 0.0 106.793 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.538 0.519 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -177.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 . . . . . 0 CA--C 1.538 0.496 0 CA-C-O 121.545 0.688 . . . . 0.0 112.113 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 -2.62 0.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.095 1.758 . . . . 0.0 111.977 168.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -63.63 -22.21 66.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.477 1.511 . . . . 0.0 113.489 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -59.34 -14.27 11.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.541 1.536 . . . . 0.0 114.453 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.45 -1.6 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.654 1.121 . . . . 0.0 113.004 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -94.98 118.05 31.17 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.889 1.344 . . . . 0.0 110.754 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -115.89 -24.27 8.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 109.796 150.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -167.86 -126.83 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.409 1.883 . . . . 0.0 109.615 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.52 15.26 9.69 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 117.985 -1.453 . . . . 0.0 112.667 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -12.74 18.47 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -171.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -35.59 0.23 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.449 1.477 . . . . 0.0 111.641 170.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.22 150.12 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 142.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -86.64 174.36 8.93 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.829 . . . . 0.0 110.69 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.47 110.3 1.91 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -73.55 -29.82 62.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.736 1.214 . . . . 0.0 113.212 -160.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.1 tttt . . . . . 0 C--N 1.343 0.318 0 C-N-CA 123.648 0.779 . . . . 0.0 109.969 -177.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 . . . . . 0 CA--C 1.541 0.598 0 N-CA-C 111.818 0.303 . . . . 0.0 111.818 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.13 -27.62 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.944 1.697 . . . . 0.0 112.938 173.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -79.09 4.74 13.73 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -59.59 -29.24 67.83 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.302 0.641 . . . . 0.0 111.441 160.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.15 -21.1 2.12 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.616 1.579 . . . . 0.0 112.805 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -86.07 102.33 13.74 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.961 1.381 . . . . 0.0 110.142 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.43 -64.7 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.151 1.38 . . . . 0.0 107.647 156.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 -84.85 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 107.416 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 43.11 4.45 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.032 1.301 . . . . 0.0 112.883 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.79 -18.51 43.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -154.03 -48.58 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.965 1.257 . . . . 0.0 110.228 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.07 144.36 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 145.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -70.13 177.97 3.0 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.083 0.856 . . . . 0.0 110.6 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -48.42 115.11 1.11 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.715 0.806 . . . . 0.0 109.553 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.01 -25.1 37.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.69 0.796 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 mttp . . . . . 0 CA--C 1.536 0.408 0 C-N-CA 126.112 1.765 . . . . 0.0 110.565 178.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 CA--C 1.534 0.334 0 CA-C-O 122.167 0.984 . . . . 0.0 113.422 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.79 -19.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.848 2.059 . . . . 0.0 111.305 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.31 -18.63 11.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.843 2.057 . . . . 0.0 113.44 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -57.27 -26.84 61.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.297 1.439 . . . . 0.0 113.218 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.45 -15.01 1.48 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.968 1.27 . . . . 0.0 113.183 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -70.92 122.83 20.69 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.693 1.246 . . . . 0.0 109.951 -171.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.87 -71.72 0.38 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.709 1.203 . . . . 0.0 108.122 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -163.5 -81.58 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.721 2.408 . . . . 0.0 106.097 166.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 37.09 41.09 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.602 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.22 -31.51 11.69 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -107.51 -53.27 2.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.205 1.366 . . . . 0.0 110.416 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -88.98 161.32 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 125.788 1.635 . . . . 0.0 106.875 154.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 174.03 1.24 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.312 0.645 . . . . 0.0 112.454 172.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -50.47 138.95 16.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.782 1.233 . . . . 0.0 110.511 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -116.2 -25.09 7.71 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt . . . . . 0 CA--C 1.532 0.252 0 CA-C-N 118.892 0.769 . . . . 0.0 110.616 -167.523 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 . . . . . 0 CA--C 1.537 0.462 0 CA-C-O 121.609 0.719 . . . . 0.0 111.994 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -18.23 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.91 -16.49 64.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.672 1.189 . . . . 0.0 113.533 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -58.2 -20.61 42.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.427 1.491 . . . . 0.0 113.031 167.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 19.08 3.52 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.792 2.139 . . . . 0.0 112.705 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -137.67 138.09 39.06 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.817 1.247 . . . . 0.0 111.481 -177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.509 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 9.8 p-10 -127.48 -29.52 2.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.616 1.967 . . . . 0.0 111.502 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -168.23 -144.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.27 1.028 . . . . 0.0 109.278 -161.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.06 11.01 28.92 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.7 -1.056 . . . . 0.0 113.054 -176.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -91.86 -22.75 19.93 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.446 1.623 . . . . 0.0 115.274 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -44.22 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.506 1.123 . . . . 0.0 109.488 160.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.51 141.39 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 147.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -178.29 2.22 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 122.218 -0.301 . . . . 0.0 110.23 168.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -55.6 122.64 11.8 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.339 1.056 . . . . 0.0 109.176 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -81.44 -22.25 38.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.553 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 7' ' ' ASP . 49.8 mtmt . . . . . 0 C--N 1.348 0.505 0 C-N-CA 124.163 0.985 . . . . 0.0 109.379 169.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.54 0.582 0 CA-C-O 121.822 0.82 . . . . 0.0 111.742 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -15.19 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.908 1.683 . . . . 0.0 112.025 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.78 -13.87 61.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.74 2.016 . . . . 0.0 113.519 -170.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -61.76 -31.75 71.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.107 . . . . 0.0 112.747 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.75 -28.49 4.21 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.496 1.522 . . . . 0.0 112.043 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -85.14 111.18 19.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.86 1.264 . . . . 0.0 109.752 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -108.39 -25.29 11.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.671 1.988 . . . . 0.0 110.363 169.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -174.86 -141.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.196 2.598 . . . . 0.0 107.876 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.03 6.17 1.51 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-O 117.396 -1.78 . . . . 0.0 115.303 160.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.99 -68.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.628 1.714 . . . . 0.0 113.278 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -115.68 -59.68 1.97 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.22 1.408 . . . . 0.0 108.446 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.37 129.9 22.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.357 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 152.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -79.46 -158.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.747 0.819 . . . . 0.0 110.4 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -66.71 119.86 12.51 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.623 -0.673 . . . . 0.0 109.489 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -94.88 137.93 33.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.397 1.479 . . . . 0.0 108.625 -176.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 mttt . . . . . 0 CA--C 1.53 0.177 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -160.092 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 t0 . . . . . 0 CA--C 1.533 0.31 0 CA-C-O 121.265 0.555 . . . . 0.0 111.731 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 80.64 -14.7 0.81 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 129.233 3.013 . . . . 0.0 114.205 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -66.61 -12.0 56.04 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.973 1.26 . . . . 0.0 113.734 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -57.34 -26.38 60.88 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.772 0.829 . . . . 0.0 112.744 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.11 -8.11 3.82 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.55 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -102.6 129.13 49.07 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.275 1.43 . . . . 0.0 109.857 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.01 -47.19 3.61 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.299 1.439 . . . . 0.0 108.552 162.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p -158.87 -130.42 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 129.631 3.172 . . . . 0.0 104.146 -175.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.08 32.89 0.76 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.275 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.73 -49.09 16.84 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 -38.01 1.22 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.348 1.431 . . . . 0.0 110.819 172.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 147.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -86.26 -174.84 5.25 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.692 0.678 . . . . 0.0 110.505 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -57.14 126.23 26.26 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.028 1.731 . . . . 0.0 111.285 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -103.72 29.16 5.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 112.004 -170.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 pttt . . . . . 0 N--CA 1.472 0.672 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.787 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 . . . . . 0 CA--C 1.538 0.488 0 CA-C-O 121.939 0.876 . . . . 0.0 111.957 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.34 -34.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.166 2.186 . . . . 0.0 110.477 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.32 -2.59 25.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.926 2.09 . . . . 0.0 114.763 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -49.42 -28.97 5.72 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.86 1.264 . . . . 0.0 112.981 163.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.87 20.27 0.36 Allowed Glycine 0 CA--C 1.528 0.871 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.447 165.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -89.1 133.68 34.29 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.09 1.445 . . . . 0.0 110.312 166.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 -23.97 1.55 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.314 2.246 . . . . 0.0 110.536 169.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -174.21 -130.23 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.099 2.56 . . . . 0.0 105.812 -167.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.64 11.17 21.86 Favored Glycine 0 C--O 1.219 -0.842 0 CA-C-O 118.069 -1.406 . . . . 0.0 113.191 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -25.76 34.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.963 1.382 . . . . 0.0 113.831 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -153.4 -62.48 0.14 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.701 1.2 . . . . 0.0 108.189 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.75 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 147.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -69.48 177.68 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.799 0.839 . . . . 0.0 110.663 170.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -59.25 126.96 29.79 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.759 0.824 . . . . 0.0 110.903 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -99.51 -7.16 26.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.913 0.885 . . . . 0.0 111.814 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt . . . . . 0 C--N 1.344 0.369 0 C-N-CA 125.422 1.489 . . . . 0.0 110.413 172.403 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 120.822 0.344 . . . . 0.0 111.666 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.68 -14.63 0.06 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.19 -11.59 59.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.31 0.959 . . . . 0.0 113.55 -169.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -62.02 -20.59 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.534 1.133 . . . . 0.0 111.771 165.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.85 26.3 3.3 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.364 1.935 . . . . 0.0 112.692 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -148.4 115.93 6.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.798 1.239 . . . . 0.0 109.18 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -109.77 -26.36 9.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.237 1.415 . . . . 0.0 112.136 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -175.91 -158.7 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.487 2.315 . . . . 0.0 108.35 -170.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.79 33.6 0.51 Allowed Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.346 -1.252 . . . . 0.0 114.741 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -92.78 -21.4 19.95 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.898 1.349 . . . . 0.0 114.306 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -170.48 -60.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.379 2.272 . . . . 0.0 106.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.7 135.78 22.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 149.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -75.9 -170.07 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.519 1.128 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -56.6 139.45 49.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.655 0.782 . . . . 0.0 109.231 164.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -122.39 -3.45 8.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.811 1.244 . . . . 0.0 111.591 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 tttp . . . . . 0 C--N 1.349 0.569 0 CA-C-N 119.297 0.953 . . . . 0.0 113.075 168.311 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 . . . . . 0 CA--C 1.542 0.667 0 CA-C-O 121.565 0.698 . . . . 0.0 112.152 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.07 -8.56 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.128 1.371 . . . . 0.0 112.951 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.45 -14.49 62.27 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 120.054 1.297 . . . . 0.0 113.593 -174.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -58.89 -28.92 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.337 1.055 . . . . 0.0 113.005 168.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.83 4.31 8.53 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.751 1.643 . . . . 0.0 113.436 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -117.28 128.66 55.28 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.704 1.602 . . . . 0.0 109.468 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -121.59 -37.18 2.93 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.057 1.343 . . . . 0.0 110.998 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -157.07 -122.75 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.162 1.785 . . . . 0.0 108.106 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.57 9.51 23.13 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 117.887 -1.507 . . . . 0.0 114.949 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -88.23 0.26 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.543 1.672 . . . . 0.0 110.196 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -41.6 20.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.005 1.73 . . . . 0.0 110.838 174.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.01 162.54 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 108.883 164.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -82.24 178.59 8.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.684 -0.635 . . . . 0.0 111.228 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -63.17 131.71 49.36 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 151.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.54 -17.56 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.1 mttm . . . . . 0 N--CA 1.465 0.32 0 CA-C-N 119.702 1.137 . . . . 0.0 110.75 -179.976 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 . . . . . 0 CA--C 1.537 0.446 0 CA-C-O 121.089 0.471 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.38 -27.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -83.19 8.85 12.02 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.371 1.068 . . . . 0.0 113.714 -167.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -65.57 -27.18 68.25 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.939 0.896 . . . . 0.0 111.255 158.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.68 26.79 3.8 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.354 1.931 . . . . 0.0 112.351 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -152.32 143.29 23.06 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.533 1.167 . . . . 0.0 112.321 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.28 135.08 10.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.936 1.694 . . . . 0.0 107.336 149.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m 54.77 -138.65 1.07 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.783 1.233 . . . . 0.0 111.026 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.27 4.43 28.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.682 171.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -79.76 -21.63 44.19 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.73 1.765 . . . . 0.0 115.485 -170.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -163.34 -51.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.645 1.578 . . . . 0.0 107.811 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.88 133.77 25.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 147.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -76.5 -176.84 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.504 0.322 . . . . 0.0 110.169 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -55.74 131.75 47.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.96 0.904 . . . . 0.0 112.312 -171.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -103.09 175.18 5.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.694 1.998 . . . . 0.0 109.81 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt . . . . . 0 CA--C 1.535 0.391 0 C-N-CA 124.205 1.002 . . . . 0.0 109.16 -170.591 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t70 . . . . . 0 CA--C 1.534 0.33 0 CA-C-O 122.016 0.913 . . . . 0.0 111.757 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.62 -18.94 0.16 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.176 1.79 . . . . 0.0 111.867 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.45 -13.31 60.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.257 2.223 . . . . 0.0 114.338 -164.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -55.63 -25.63 39.98 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.207 1.403 . . . . 0.0 113.302 166.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.59 2.12 1.67 Allowed Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.156 1.36 . . . . 0.0 113.893 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -99.72 132.03 45.32 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.073 1.349 . . . . 0.0 109.883 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -119.46 -35.6 3.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.265 1.826 . . . . 0.0 109.416 164.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.4 p -167.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.901 2.48 . . . . 0.0 107.067 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.37 8.88 2.78 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.324 -1.264 . . . . 0.0 114.492 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -21.31 24.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -166.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.75 -34.89 0.08 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.299 1.409 . . . . 0.0 110.985 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.57 138.62 21.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 145.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -179.78 7.52 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.242 0.473 . . . . 0.0 110.874 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -61.39 133.24 55.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.442 1.097 . . . . 0.0 110.845 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -143.33 141.71 31.05 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.475 1.11 . . . . 0.0 108.506 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt . . . . . 0 CA--C 1.534 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 110.13 -177.038 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 . . . . . 0 N--CA 1.469 0.491 0 N-CA-C 112.256 0.465 . . . . 0.0 112.256 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.39 -30.8 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.02 -7.77 50.7 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -163.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -55.1 -22.23 15.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.667 1.187 . . . . 0.0 112.455 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.24 -13.64 1.31 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-O 118.101 -1.389 . . . . 0.0 113.143 163.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -84.17 90.95 7.59 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.579 1.69 . . . . 0.0 110.535 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.74 -31.02 36.11 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.207 1.403 . . . . 0.0 111.223 162.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -179.74 -170.86 0.17 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.547 3.139 . . . . 0.0 108.175 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.73 13.02 0.03 OUTLIER Glycine 0 C--N 1.342 0.909 0 CA-C-O 117.202 -1.888 . . . . 0.0 116.42 164.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.54 -24.24 45.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.378 2.089 . . . . 0.0 115.717 -171.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -160.61 -56.57 0.05 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.399 1.479 . . . . 0.0 107.749 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -56.82 130.29 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 143.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.76 177.92 7.21 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 111.171 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -47.35 137.18 8.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.006 150.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -141.19 1.78 1.64 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.943 1.297 . . . . 0.0 112.201 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 tttt . . . . . 0 CA--C 1.534 0.357 0 C-N-CA 125.071 1.349 . . . . 0.0 108.684 171.022 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.542 0.649 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.89 -6.87 0.16 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.123 1.769 . . . . 0.0 113.106 170.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.54 -21.75 65.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 120.067 1.303 . . . . 0.0 113.385 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -58.75 -26.85 64.38 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.193 0.997 . . . . 0.0 112.888 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.65 19.29 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.746 1.641 . . . . 0.0 112.286 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -135.17 125.32 26.09 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -138.15 -63.84 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 128.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.1 m -130.07 169.49 15.23 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-O 121.542 0.687 . . . . 0.0 112.469 -166.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.31 78.75 1.43 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 107.249 -2.341 . . . . 0.0 107.249 -160.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.76 -47.94 3.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.59 -1.195 . . . . 0.0 113.883 -167.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -30.46 13.21 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.998 1.272 . . . . 0.0 111.479 173.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.99 158.07 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.06 1.344 . . . . 0.0 107.919 148.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -66.3 168.7 8.34 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.172 -0.955 . . . . 0.0 110.805 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.06 139.44 46.93 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.653 1.181 . . . . 0.0 112.914 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -134.9 121.02 19.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.089 1.355 . . . . 0.0 107.729 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt . . . . . 0 CA--C 1.534 0.353 0 C-N-CA 124.753 1.221 . . . . 0.0 110.026 179.044 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 . . . . . 0 CA--C 1.54 0.569 0 CA-C-O 121.763 0.792 . . . . 0.0 112.023 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.67 -30.05 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.063 0.945 . . . . 0.0 112.615 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.35 0.93 23.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.16 1.384 . . . . 0.0 113.293 -170.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -59.4 -17.94 34.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.432 1.093 . . . . 0.0 112.628 161.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.95 -2.81 0.84 Allowed Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.579 -1.678 . . . . 0.0 113.078 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -103.51 112.79 25.86 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 119.515 1.657 . . . . 0.0 111.999 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -103.69 165.23 11.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.125 143.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -59.12 -41.66 88.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -155.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.7 14.27 81.48 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.125 -1.375 . . . . 0.0 116.35 164.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -76.73 -10.51 59.43 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -169.82 -60.41 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.323 1.449 . . . . 0.0 107.541 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.72 129.23 20.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 149.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -73.53 -179.88 3.73 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.768 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -51.06 121.19 5.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 157.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.92 140.43 29.62 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt . . . . . 0 CA--C 1.533 0.301 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.054 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 CA--C 1.538 0.519 0 CA-C-O 121.598 0.713 . . . . 0.0 111.049 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.2 -11.85 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.084 1.754 . . . . 0.0 111.888 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.92 -16.71 63.62 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.746 2.418 . . . . 0.0 113.894 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -64.35 -27.07 68.77 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.321 1.449 . . . . 0.0 113.152 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.81 0.66 9.24 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.213 1.863 . . . . 0.0 112.211 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -114.52 118.85 34.91 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 125.312 1.445 . . . . 0.0 109.397 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.22 -20.91 11.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.94 1.296 . . . . 0.0 110.449 160.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -174.89 -143.03 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.54 2.336 . . . . 0.0 108.715 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.48 8.68 1.27 Allowed Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.568 -1.129 . . . . 0.0 113.353 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -127.41 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.299 2.24 . . . . 0.0 111.476 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -25.13 66.97 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.713 1.597 . . . . 0.0 113.716 -173.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.86 134.5 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 154.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -76.24 163.04 27.43 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.323 1.049 . . . . 0.0 112.086 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -46.59 128.79 10.71 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.01 0.924 . . . . 0.0 110.753 165.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -173.01 149.84 1.92 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.37 2.268 . . . . 0.0 108.53 -175.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 pttp . . . . . 0 CA--C 1.533 0.293 0 CA-C-O 121.957 0.884 . . . . 0.0 109.726 -179.078 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.7 t0 . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 120.482 0.182 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . . . 95.53 -13.17 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.081 3.352 . . . . 0.0 113.388 174.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.19 -21.72 66.8 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -169.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 2' ' ' ALA . 4.0 p90 -58.84 -15.15 11.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.297 1.839 . . . . 0.0 114.325 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.28 12.14 0.91 Allowed Glycine 0 CA--C 1.527 0.821 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.738 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 50.3 t60 -91.32 111.11 22.46 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 118.74 1.27 . . . . 0.0 111.73 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.74 172.44 8.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.837 139.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -81.13 -22.35 39.13 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 117.501 -1.238 . . . . 0.0 114.256 -168.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.69 42.56 52.5 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-O 118.461 -1.188 . . . . 0.0 115.442 158.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -79.12 -14.55 59.05 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -164.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.24 -64.0 0.12 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.7 128.62 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 144.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -167.14 0.27 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.333 0.653 . . . . 0.0 111.685 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 3.7 m170 -53.76 139.79 31.74 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.746 -0.596 . . . . 0.0 111.427 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -131.68 106.84 8.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.48 1.512 . . . . 0.0 107.34 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 pttt . . . . . 0 CA--C 1.54 0.575 0 C-N-CA 124.938 1.295 . . . . 0.0 112.812 -171.552 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t70 . . . . . 0 CA--C 1.534 0.358 0 N-CA-C 110.272 -0.27 . . . . 0.0 110.272 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.89 -29.76 4.89 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.16 1.384 . . . . 0.0 111.705 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -64.21 -20.7 66.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.67 1.988 . . . . 0.0 113.404 -173.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -57.36 -30.91 65.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.007 1.323 . . . . 0.0 112.827 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.49 22.04 4.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.494 1.997 . . . . 0.0 111.439 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -130.61 118.84 21.59 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.344 1.457 . . . . 0.0 108.203 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.13 -37.49 9.3 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 156.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -168.83 -85.04 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.539 1.535 . . . . 0.0 110.669 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.95 46.61 28.2 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -159.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -73.27 -104.9 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.497 2.319 . . . . 0.0 111.656 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -29.21 23.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.121 0.873 . . . . 0.0 110.472 162.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.84 161.91 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.802 1.641 . . . . 0.0 108.824 150.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.435 ' H ' ' HD2' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -109.41 165.76 11.39 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.512 -0.743 . . . . 0.0 110.672 173.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -58.4 133.92 56.18 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.445 0.698 . . . . 0.0 109.189 165.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -141.03 155.44 46.18 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.749 1.22 . . . . 0.0 109.843 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttm . . . . . 0 CA--C 1.53 0.18 0 C-N-CA 124.295 1.038 . . . . 0.0 110.118 -175.728 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 . . . . . 0 CA--C 1.532 0.252 0 CA-C-O 121.629 0.728 . . . . 0.0 111.493 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' B' ' 6' ' ' HIS . . . -168.01 -19.86 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.47 1.908 . . . . 0.0 112.12 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.64 -6.93 52.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -163.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -63.37 -29.38 70.7 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.299 1.039 . . . . 0.0 111.596 168.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.91 -3.29 12.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.643 1.592 . . . . 0.0 113.22 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -115.84 124.14 49.94 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 118.957 1.379 . . . . 0.0 110.085 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.67 -11.89 8.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.156 1.782 . . . . 0.0 112.396 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p 172.51 -176.84 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.603 3.161 . . . . 0.0 108.544 -168.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.42 18.98 0.04 OUTLIER Glycine 0 CA--C 1.528 0.867 0 CA-C-O 118.884 -0.953 . . . . 0.0 114.634 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -104.55 -16.02 15.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.954 1.702 . . . . 0.0 113.345 -167.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -166.44 -55.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.244 1.818 . . . . 0.0 107.975 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.5 137.05 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 147.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 ptt-85 -80.04 -13.63 59.16 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 141.97 149.63 0.0 OUTLIER 'General case' 0 C--O 1.237 0.422 1 C-N-CA 132.156 4.182 . . . . 0.0 102.846 -159.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -109.01 -19.28 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.316 154.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tptt . . . . . 0 CA--C 1.535 0.4 0 C-N-CA 124.243 1.017 . . . . 0.0 108.791 168.803 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 . . . . . 0 CA--C 1.541 0.625 0 CA-C-O 121.792 0.806 . . . . 0.0 111.981 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 -14.71 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.201 2.2 . . . . 0.0 111.257 170.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -63.12 -22.61 66.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.167 2.187 . . . . 0.0 113.286 -172.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -51.72 -32.14 29.08 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.901 1.28 . . . . 0.0 112.471 169.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.72 5.46 6.56 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.881 1.705 . . . . 0.0 113.664 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.506 ' CD2' ' HB1' ' A' ' 2' ' ' ALA . 66.0 t60 -122.58 138.24 54.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.881 1.34 . . . . 0.0 111.722 -174.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -132.79 -28.77 1.56 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.128 153.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -152.82 -158.14 0.86 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.442 1.897 . . . . 0.0 109.466 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.9 -16.3 0.81 Allowed Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.975 -0.903 . . . . 0.0 114.416 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -57.02 -43.15 81.58 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.46 1.904 . . . . 0.0 114.502 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -150.52 -42.44 0.13 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.784 0.834 . . . . 0.0 110.284 -174.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -67.94 129.94 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 144.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -69.31 176.19 3.49 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.92 0.888 . . . . 0.0 109.686 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.38 125.14 22.42 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 118.983 0.811 . . . . 0.0 108.992 172.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.15 -2.92 46.78 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.085 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt . . . . . 0 CA--C 1.54 0.588 0 C-N-CA 124.54 1.136 . . . . 0.0 111.138 -158.128 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 . . . . . 0 N--CA 1.479 0.997 0 CA-C-O 120.946 0.403 . . . . 0.0 111.163 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 -9.95 0.07 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.612 1.965 . . . . 0.0 112.423 167.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.4 -10.86 58.06 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.422 1.489 . . . . 0.0 114.822 -167.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -53.33 -31.85 46.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.87 1.268 . . . . 0.0 112.615 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 -18.69 3.39 Favored Glycine 0 C--N 1.342 0.913 0 C-N-CA 125.168 1.365 . . . . 0.0 112.092 168.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.403 ' CD2' ' HB1' ' B' ' 2' ' ' ALA . 20.6 t60 -85.92 100.13 11.89 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 -174.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -75.95 -79.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.41 153.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -145.56 -58.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 170.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.76 28.85 49.85 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 118.443 -1.199 . . . . 0.0 113.779 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -67.58 -22.06 65.39 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -166.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -163.14 -53.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.099 1.318 . . . . 0.0 108.109 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.63 126.16 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 145.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 177.78 1.1 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.44 1.096 . . . . 0.0 111.585 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -43.56 137.55 2.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.432 1.493 . . . . 0.0 112.591 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -136.89 153.16 50.82 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.552 1.141 . . . . 0.0 109.895 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 pttt . . . . . 0 CA--C 1.542 0.66 0 C-N-CA 127.169 2.187 . . . . 0.0 111.385 -178.487 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 . . . . . 0 CA--C 1.539 0.528 0 CA-C-O 122.326 1.06 . . . . 0.0 113.085 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.429 ' H ' ' H ' ' B' ' 3' ' ' GLU . . . -165.87 -17.33 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 128.62 2.768 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.429 ' H ' ' H ' ' B' ' 2' ' ' ALA . 57.1 mt-10 -66.29 -12.9 59.2 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 127.032 2.133 . . . . 0.0 114.527 -174.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -56.22 -35.02 66.85 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.003 0.82 . . . . 0.0 111.651 165.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.66 58.37 0.65 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 126.025 1.774 . . . . 0.0 109.005 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -164.28 137.43 5.11 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.006 1.322 . . . . 0.0 111.129 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.87 -28.84 1.74 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.172 1.389 . . . . 0.0 110.682 156.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -160.47 -127.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.445 1.498 . . . . 0.0 108.7 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.58 21.16 48.93 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.047 -1.418 . . . . 0.0 111.688 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -68.9 0.62 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 117.159 -1.401 . . . . 0.0 112.273 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -45.49 9.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.436 1.471 . . . . 0.0 111.03 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.59 164.61 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.819 1.248 . . . . 0.0 108.366 156.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . 0.497 ' H ' ' HD3' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -95.9 171.98 8.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.897 0.771 . . . . 0.0 110.501 166.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 25.8 m-70 -65.86 121.08 14.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 159.653 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -106.03 -2.04 23.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.066 -173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 25.6 pttm . . . . . 0 C--N 1.345 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 112.951 -179.698 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.3 t0 . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.942 0.401 . . . . 0.0 111.634 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 97.44 -15.08 0.06 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 130.236 3.415 . . . . 0.0 114.259 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.39 -14.76 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.862 1.21 . . . . 0.0 114.128 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -60.18 -36.12 76.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.209 0.913 . . . . 0.0 112.204 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.29 19.07 11.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.394 1.473 . . . . 0.0 112.521 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -137.3 138.72 40.32 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.74 1.27 . . . . 0.0 112.024 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -96.78 -103.9 0.17 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.181 2.592 . . . . 0.0 109.368 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -137.1 -57.4 0.71 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.633 1.973 . . . . 0.0 108.335 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.04 42.35 3.07 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.033 0.825 . . . . 0.0 113.717 169.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -75.93 -26.23 56.71 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -168.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -160.95 -55.76 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.644 1.178 . . . . 0.0 107.895 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.45 123.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 143.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -92.39 -39.93 11.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.454 -170.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.39 118.51 21.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.843 0.714 . . . . 0.0 109.27 164.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -82.03 174.11 11.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.391 1.876 . . . . 0.0 109.173 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 pttp . . . . . 0 CA--C 1.547 0.838 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -162.352 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 t0 . . . . . 0 CA--C 1.546 0.799 0 N-CA-C 109.786 -0.449 . . . . 0.0 109.786 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.93 -34.82 0.08 Allowed 'General case' 0 C--N 1.34 0.171 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.327 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.06 -5.72 23.71 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -55.5 -22.18 20.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.87 0.868 . . . . 0.0 113.052 164.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.25 -10.13 0.17 Allowed Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.646 -1.085 . . . . 0.0 114.059 172.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -74.06 107.95 6.57 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.159 1.479 . . . . 0.0 108.701 174.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.82 -46.49 7.84 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 152.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -159.79 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.685 2.394 . . . . 0.0 108.205 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.29 22.89 0.55 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.71 1.624 . . . . 0.0 114.428 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -9.0 58.32 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -169.49 -73.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 p -53.51 130.4 15.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 149.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -166.3 0.33 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 111.194 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -54.33 120.0 5.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 168.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -89.83 -21.32 22.63 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.37 1.468 . . . . 0.0 110.771 176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 126.684 1.994 . . . . 0.0 114.439 168.412 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t0 . . . . . 0 CA--C 1.532 0.279 0 CA-C-O 120.765 0.317 . . . . 0.0 110.369 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.53 -48.37 0.02 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.669 0.788 . . . . 0.0 112.376 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.62 -6.57 57.36 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -154.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -52.62 -40.37 62.67 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.464 0.706 . . . . 0.0 111.062 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.61 0.13 4.55 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-O 117.908 -1.495 . . . . 0.0 114.005 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.437 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 74.2 t60 -78.87 94.85 5.26 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 119.19 1.495 . . . . 0.0 109.028 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -73.63 -160.44 0.09 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.834 2.054 . . . . 0.0 109.685 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -81.29 23.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.742 0.817 . . . . 0.0 111.804 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.8 4.2 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.647 2.07 . . . . 0.0 111.405 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.3 -10.13 28.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.725 1.61 . . . . 0.0 114.725 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -148.84 -48.61 0.15 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.695 1.198 . . . . 0.0 109.171 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.36 142.78 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 147.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -67.04 157.69 32.87 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.801 -0.562 . . . . 0.0 110.673 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 7.2 m-70 -50.36 113.93 1.0 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.483 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.46 -10.81 57.17 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.906 0.754 . . . . 0.0 112.506 -159.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 mttt . . . . . 0 C--N 1.343 0.325 0 C-N-CA 125.293 1.437 . . . . 0.0 109.111 -178.074 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 t0 . . . . . 0 CA--C 1.54 0.583 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.18 -33.65 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.011 1.725 . . . . 0.0 113.476 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.08 -8.75 25.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -59.81 -24.51 64.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.834 0.743 . . . . 0.0 112.035 171.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.69 9.42 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.626 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' B' ' 7' ' ' ASP . 85.2 t60 -79.82 162.33 25.14 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.372 1.586 . . . . 0.0 111.786 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . 0.436 ' H ' ' CG ' ' B' ' 6' ' ' HIS . 40.3 p-10 -172.34 -125.56 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.054 2.542 . . . . 0.0 107.611 -163.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -98.16 -70.48 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.139 0.975 . . . . 0.0 108.792 172.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.9 20.7 78.96 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 117.959 -1.467 . . . . 0.0 114.683 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -19.81 28.71 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -167.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.2 -36.0 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.948 1.299 . . . . 0.0 110.278 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.82 139.88 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 140.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -79.29 176.77 9.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.043 0.449 . . . . 0.0 110.442 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -50.92 131.26 26.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.805 0.842 . . . . 0.0 110.169 162.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -114.18 -28.37 7.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.116 1.366 . . . . 0.0 111.356 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mptt . . . . . 0 CA--C 1.531 0.249 0 C-N-CA 125.106 1.362 . . . . 0.0 109.346 -172.181 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 . . . . . 0 CA--C 1.538 0.498 0 N-CA-C 112.188 0.44 . . . . 0.0 112.188 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 173.67 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.509 1.924 . . . . 0.0 113.731 171.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.28 -30.5 64.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -156.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -55.54 -39.68 70.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.448 1.899 . . . . 0.0 114.068 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.63 12.66 18.25 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.588 -1.118 . . . . 0.0 112.921 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 81.7 t60 -96.18 144.38 26.45 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.302 1.041 . . . . 0.0 113.541 -169.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -146.52 164.7 31.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.699 -1.591 . . . . 0.0 109.205 156.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 -9.71 45.95 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -145.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.5 -10.75 30.64 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 117.102 1.601 . . . . 0.0 117.102 160.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -18.3 43.52 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.931 1.866 . . . . 0.0 115.919 -165.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -169.95 -48.73 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.626 1.57 . . . . 0.0 108.678 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -67.85 131.33 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 144.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -99.44 -97.13 0.24 Allowed 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 4.1 m-70 -119.67 141.16 49.61 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 161.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -147.03 154.85 41.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.792 1.637 . . . . 0.0 110.051 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? . . . . . 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.536 173.278 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.1 t0 . . . . . 0 CA--C 1.539 0.543 0 CA-C-O 121.001 0.429 . . . . 0.0 110.159 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.83 -28.8 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.028 1.331 . . . . 0.0 112.768 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.6 -4.7 28.55 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -59.15 -28.69 66.82 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.534 -0.729 . . . . 0.0 112.571 164.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.31 1.23 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.799 1.666 . . . . 0.0 113.349 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -101.31 126.23 48.03 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.623 1.212 . . . . 0.0 109.677 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -110.1 -38.68 5.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.467 1.907 . . . . 0.0 109.177 161.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -168.62 -81.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.357 1.863 . . . . 0.0 109.114 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.96 40.92 8.99 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.474 0.579 . . . . 0.0 112.437 -177.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -71.83 -28.8 63.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -166.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.01 -59.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.648 1.579 . . . . 0.0 107.458 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -61.39 134.45 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 146.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -69.91 -178.33 1.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.125 0.42 . . . . 0.0 111.308 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -52.57 128.6 26.57 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.092 0.957 . . . . 0.0 111.388 -172.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -102.45 -17.78 15.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.227 -167.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? . . . . . 0 CA--C 1.543 0.69 0 C-N-CA 124.61 1.164 . . . . 0.0 114.027 178.554 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.4 t70 . . . . . 0 CA--C 1.535 0.394 0 CA-C-O 120.88 0.371 . . . . 0.0 111.889 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 87.44 -9.69 0.58 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 129.185 2.994 . . . . 0.0 114.099 170.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.71 -19.38 65.74 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -59.92 -35.92 75.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.177 1.391 . . . . 0.0 113.876 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.2 -0.82 10.47 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.355 1.455 . . . . 0.0 112.909 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.517 ' CD2' ' HB1' ' B' ' 2' ' ' ALA . 75.0 t60 -85.74 150.82 24.31 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.324 1.062 . . . . 0.0 110.825 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -175.13 -163.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.102 -147.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p -48.37 -54.35 14.28 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 123.885 0.874 . . . . 0.0 110.04 167.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.65 2.22 20.85 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.271 164.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.46 3.04 42.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.191 1.495 . . . . 0.0 114.958 -162.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -155.16 -54.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.122 1.369 . . . . 0.0 107.49 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.9 144.52 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.558 1.143 . . . . 0.0 108.968 150.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.3 -22.86 24.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.923 -170.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 171.2 152.21 0.05 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.628 2.771 . . . . 0.0 108.849 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -138.1 110.41 7.4 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.554 1.142 . . . . 0.0 109.773 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.4 mttt . . . . . 0 CA--C 1.532 0.274 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 163.207 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 CA--C 1.542 0.645 0 CA-C-O 120.947 0.403 . . . . 0.0 110.81 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.517 ' HB1' ' CD2' ' A' ' 6' ' ' HIS . . . -161.65 -16.56 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.002 1.321 . . . . 0.0 112.715 175.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.45 -11.53 59.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.19 1.396 . . . . 0.0 114.42 -170.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -58.93 -24.38 62.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.062 0.945 . . . . 0.0 111.961 165.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.61 35.84 1.9 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.461 1.981 . . . . 0.0 111.164 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -142.68 135.75 28.36 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.494 1.147 . . . . 0.0 112.001 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -177.53 -36.1 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.277 3.031 . . . . 0.0 108.458 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -99.52 176.79 5.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.444 1.498 . . . . 0.0 110.311 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.99 83.58 1.29 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 109.214 -1.555 . . . . 0.0 109.214 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.21 -25.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.742 1.617 . . . . 0.0 112.793 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -171.91 -50.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.862 2.465 . . . . 0.0 107.077 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.75 135.51 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 146.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 172.13 13.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.587 0.63 . . . . 0.0 109.543 166.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -57.69 128.58 37.79 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.805 -0.559 . . . . 0.0 111.14 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -82.61 133.61 35.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.321 1.448 . . . . 0.0 108.103 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttt . . . . . 0 N--CA 1.472 0.655 0 C-N-CA 128.041 2.536 . . . . 0.0 109.866 -166.87 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 . . . . . 0 CA--C 1.532 0.254 0 CA-C-O 120.972 0.415 . . . . 0.0 110.313 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 -46.11 0.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.644 1.177 . . . . 0.0 111.192 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.77 -19.25 62.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.522 1.929 . . . . 0.0 114.354 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -57.04 -25.7 59.06 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.938 1.695 . . . . 0.0 113.487 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.47 35.9 2.01 Favored Glycine 0 C--N 1.34 0.798 0 C-N-CA 124.939 1.256 . . . . 0.0 111.524 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 13.1 t60 -138.22 149.29 45.65 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 122.924 1.345 . . . . 0.0 113.95 -173.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -164.23 -163.5 0.77 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.753 3.221 . . . . 0.0 107.856 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 m -95.01 -26.98 15.85 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.075 -1.015 . . . . 0.0 113.439 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.7 21.04 60.45 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-O 118.288 -1.284 . . . . 0.0 115.899 162.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -16.46 57.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -167.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 -49.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.085 1.766 . . . . 0.0 111.099 167.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.21 128.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 146.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -89.26 179.94 6.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 0.0 109.456 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -43.32 121.96 2.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.061 1.344 . . . . 0.0 112.144 178.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.58 163.93 12.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.334 1.454 . . . . 0.0 108.144 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp . . . . . 0 CA--C 1.53 0.203 0 C-N-CA 123.568 0.747 . . . . 0.0 109.339 178.619 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 . . . . . 0 CA--C 1.548 0.883 0 N-CA-C 111.89 0.329 . . . . 0.0 111.89 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.87 -19.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.554 1.542 . . . . 0.0 113.42 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -75.45 -8.06 55.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.857 1.263 . . . . 0.0 114.269 -160.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -58.67 -20.36 47.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.758 1.623 . . . . 0.0 113.765 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.66 7.61 2.23 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 117.793 -1.56 . . . . 0.0 112.894 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -110.29 138.62 46.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.666 1.733 . . . . 0.0 111.661 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.91 -19.17 0.66 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.681 1.592 . . . . 0.0 111.339 160.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 p -164.45 -139.73 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.797 1.639 . . . . 0.0 110.017 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.77 7.09 8.22 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.937 1.256 . . . . 0.0 113.402 -173.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.71 -13.9 21.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -168.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -46.81 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.505 1.048 . . . . 0.0 109.816 165.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.54 136.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 146.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -90.88 169.77 10.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.827 0.451 . . . . 0.0 110.46 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -59.27 138.76 57.49 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.484 0.714 . . . . 0.0 111.01 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.44 158.75 32.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.432 1.093 . . . . 0.0 110.767 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttt . . . . . 0 CA--C 1.531 0.245 0 C-N-CA 124.018 0.927 . . . . 0.0 110.724 -164.719 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t0 . . . . . 0 CA--C 1.532 0.288 0 CA-C-O 120.129 0.014 . . . . 0.0 111.035 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.02 -5.35 0.12 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 129.858 3.263 . . . . 0.0 113.935 172.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -71.03 -7.9 49.59 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -66.89 -19.3 65.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.784 1.233 . . . . 0.0 112.719 169.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.26 14.04 4.87 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.638 1.59 . . . . 0.0 112.733 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -139.92 124.51 18.18 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.698 1.249 . . . . 0.0 111.255 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -76.83 -61.43 1.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -175.68 -45.71 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.444 2.298 . . . . 0.0 108.206 -167.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.11 8.92 87.19 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.107 -1.385 . . . . 0.0 115.515 162.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -80.31 -19.82 45.7 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -165.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -172.41 -55.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.034 2.134 . . . . 0.0 105.994 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.97 151.62 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 148.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.3 128.57 6.09 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-O 121.538 0.685 . . . . 0.0 111.969 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m170 58.87 40.02 23.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.575 2.35 . . . . 0.0 112.76 171.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -103.1 137.45 41.25 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.393 1.477 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt . . . . . 0 CA--C 1.536 0.437 0 C-N-CA 124.221 1.009 . . . . 0.0 110.865 176.383 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 t0 . . . . . 0 CA--C 1.539 0.55 0 CA-C-O 120.97 0.414 . . . . 0.0 111.162 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.57 -34.64 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.373 1.069 . . . . 0.0 112.84 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.94 -15.56 63.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.26 1.024 . . . . 0.0 113.284 -172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -52.01 -24.55 6.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.849 1.26 . . . . 0.0 112.906 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.29 -6.0 1.97 Allowed Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.294 -1.837 . . . . 0.0 113.8 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -103.59 124.81 49.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.745 2.272 . . . . 0.0 112.208 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.91 -25.17 7.34 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.274 1.029 . . . . 0.0 110.317 147.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -162.86 -145.18 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.969 1.708 . . . . 0.0 110.056 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.4 19.18 1.73 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.298 1.428 . . . . 0.0 112.012 -168.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -114.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.192 1.797 . . . . 0.0 110.616 172.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -37.32 70.2 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.763 1.62 . . . . 0.0 112.283 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.04 140.07 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 160.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -78.69 -176.71 5.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.302 0.641 . . . . 0.0 110.726 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.64 118.79 6.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.224 1.01 . . . . 0.0 110.998 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -161.41 153.75 20.05 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.096 1.359 . . . . 0.0 110.504 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttm . . . . . 0 CA--C 1.538 0.485 0 C-N-CA 124.434 1.094 . . . . 0.0 108.961 -172.485 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 . . . . . 0 CA--C 1.536 0.41 0 CA-C-O 120.62 0.248 . . . . 0.0 111.572 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.49 -20.36 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.041 1.736 . . . . 0.0 112.89 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.25 -23.02 66.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.482 1.513 . . . . 0.0 114.769 -164.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -54.68 -43.83 72.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.486 1.514 . . . . 0.0 112.872 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.39 -6.85 10.37 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.961 1.267 . . . . 0.0 113.231 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -76.43 160.13 29.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.583 1.153 . . . . 0.0 110.833 172.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -160.86 -166.4 1.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.538 0.735 . . . . 0.0 112.572 -157.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.55 -23.46 22.0 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.53 15.4 66.17 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.693 160.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -126.51 -10.64 6.26 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.871 1.836 . . . . 0.0 115.343 -172.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -167.87 -49.19 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.72 1.608 . . . . 0.0 107.896 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 135.72 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 143.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -124.31 -177.53 3.82 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.653 1.181 . . . . 0.0 107.894 164.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.07 134.18 32.63 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.104 0.562 . . . . 0.0 110.78 -176.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.52 95.18 1.36 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 108.211 -174.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp . . . . . 0 CA--C 1.544 0.748 0 C-N-CA 125.085 1.354 . . . . 0.0 109.03 -156.68 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 t70 . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 110.152 -0.314 . . . . 0.0 110.152 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.76 -12.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.04 1.336 . . . . 0.0 112.822 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.99 -8.18 42.43 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.617 1.167 . . . . 0.0 114.015 -173.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.22 -23.91 66.92 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.655 0.782 . . . . 0.0 111.914 168.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.63 24.11 4.16 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.165 1.84 . . . . 0.0 112.503 173.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -143.98 137.62 27.85 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.594 1.697 . . . . 0.0 110.954 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -128.47 -21.93 3.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.238 1.015 . . . . 0.0 111.046 157.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 93.1 p -162.09 -134.46 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.343 1.057 . . . . 0.0 111.754 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.33 19.82 8.2 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.451 1.024 . . . . 0.0 111.802 -160.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -124.57 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.968 1.307 . . . . 0.0 110.164 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -31.58 72.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.161 1.346 . . . . 0.0 112.781 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.05 136.84 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 157.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -81.95 162.14 22.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.426 1.09 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 123.72 4.72 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.859 1.264 . . . . 0.0 112.865 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.33 -41.18 12.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.731 0.812 . . . . 0.0 112.061 -159.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt . . . . . 0 C--N 1.344 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 110.713 177.249 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.063 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t0 -161.32 149.61 15.67 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.055 0.542 . . . . 0.0 112.232 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.12 -19.78 0.04 OUTLIER 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.826 1.25 . . . . 0.0 114.155 172.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -71.27 -11.12 60.75 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 114.496 1.295 . . . . 0.0 114.496 -166.581 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 33.2 p90 -59.18 -18.86 40.15 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 124.792 1.237 . . . . 0.0 112.581 169.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.14 -15.97 2.0 Allowed Glycine 0 CA--C 1.533 1.157 0 CA-C-O 118.26 -1.3 . . . . 0.0 113.148 167.67 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 31.4 t60 -95.31 121.24 36.77 Favored 'General case' 0 C--N 1.344 0.367 0 CA-C-N 118.935 1.368 . . . . 0.0 112.172 -173.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -101.09 -62.71 1.21 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 126.578 1.951 . . . . 0.0 108.339 165.696 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 78.8 p -147.48 -128.52 0.06 Allowed 'General case' 0 CA--C 1.537 0.455 0 C-N-CA 125.92 1.688 . . . . 0.0 107.49 172.007 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 135.97 16.67 0.85 Allowed Glycine 0 C--N 1.341 0.807 0 CA-C-O 117.438 -1.757 . . . . 0.0 114.786 172.243 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 29.2 p90 -79.7 -24.57 41.63 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-N 119.659 1.73 . . . . 0.0 115.404 -167.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 41.6 tt0 -159.08 -54.71 0.06 Allowed 'General case' 0 N--CA 1.467 0.424 0 C-N-CA 125.473 1.509 . . . . 0.0 107.575 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.3 p -51.01 129.61 10.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.431 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 145.381 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.3 mpt_? -85.96 156.37 20.5 Favored 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 123.411 0.685 . . . . 0.0 109.638 172.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -36.79 127.97 0.86 Allowed 'General case' 0 C--N 1.345 0.398 0 C-N-CA 127.108 2.163 . . . . 0.0 112.171 178.497 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.3 mt-30 -100.76 -23.59 14.58 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 125.132 1.373 . . . . 0.0 112.182 -165.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 48.5 mtmt -81.29 91.92 6.29 Favored 'General case' 0 C--N 1.344 0.359 0 C-N-CA 124.067 0.947 . . . . 0.0 110.049 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.107 0 CA-C-N 116.245 -0.434 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -172.57 162.45 5.17 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.963 1.305 . . . . 0.0 111.387 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -145.65 -7.44 0.59 Allowed 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.018 2.127 . . . . 0.0 110.957 166.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 62.3 tt0 -56.74 -26.99 58.51 Favored 'General case' 0 C--N 1.347 0.486 0 C-N-CA 127.821 2.448 . . . . 0.0 113.977 -177.048 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -56.8 -26.14 57.25 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 124.856 1.262 . . . . 0.0 113.24 175.212 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -127.22 -2.95 6.34 Favored Glycine 0 CA--C 1.531 1.056 0 C-N-CA 125.679 1.609 . . . . 0.0 112.716 174.525 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 59.8 t60 -102.07 120.61 40.72 Favored 'General case' 0 C--N 1.341 0.23 0 CA-C-N 119.363 1.582 . . . . 0.0 109.865 -179.589 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 p-10 -115.27 -30.18 6.37 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 127.328 2.251 . . . . 0.0 110.535 169.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 89.1 p -177.94 -134.22 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 128.007 2.523 . . . . 0.0 107.284 -174.309 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 124.97 10.62 4.67 Favored Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.29 -1.283 . . . . 0.0 113.216 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -92.68 -12.84 30.48 Favored 'General case' 0 CA--C 1.54 0.568 0 N-CA-C 115.078 1.51 . . . . 0.0 115.078 -170.329 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -162.01 -54.25 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.393 0 C-N-CA 124.451 1.1 . . . . 0.0 108.316 -170.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -73.18 145.6 11.57 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.471 0 N-CA-C 107.266 -1.383 . . . . 0.0 107.266 147.076 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 5.7 ppt_? -78.18 177.25 8.52 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 118.758 0.708 . . . . 0.0 110.137 165.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m170 -52.11 130.73 30.9 Favored 'General case' 0 C--O 1.226 -0.168 0 C-N-CA 125.316 1.447 . . . . 0.0 111.685 -177.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.3 mt-30 -108.39 -36.32 6.27 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.561 1.545 . . . . 0.0 110.095 -178.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 41.0 tttp -81.06 -18.64 45.96 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.886 1.274 . . . . 0.0 110.998 166.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.045 0 O-C-N 121.108 -0.995 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.014 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 46.5 t0 77.72 147.03 0.09 Allowed 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 128.647 2.779 . . . . 0.0 109.626 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.54 -21.72 0.03 OUTLIER 'General case' 0 CA--C 1.531 0.248 0 CA-C-O 117.585 -1.198 . . . . 0.0 113.869 -177.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -66.48 -21.24 66.18 Favored 'General case' 0 N--CA 1.468 0.471 0 C-N-CA 124.438 1.095 . . . . 0.0 113.248 -166.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 28.8 p90 -52.1 -25.48 8.89 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 125.03 1.332 . . . . 0.0 113.206 168.719 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -135.23 10.61 4.42 Favored Glycine 0 CA--C 1.532 1.135 0 CA-C-O 117.427 -1.763 . . . . 0.0 113.658 175.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 39.8 t60 -124.03 135.05 53.34 Favored 'General case' 0 C--N 1.345 0.404 0 CA-C-N 119.442 1.621 . . . . 0.0 111.449 -175.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 p-10 -125.15 -28.35 3.42 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 125.2 1.4 . . . . 0.0 111.66 162.199 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.1 p -167.12 -146.94 0.08 Allowed 'General case' 0 CA--C 1.537 0.448 0 C-N-CA 125.576 1.55 . . . . 0.0 108.442 -167.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 122.47 20.9 2.84 Favored Glycine 0 C--N 1.338 0.658 0 CA-C-O 116.994 -2.003 . . . . 0.0 113.921 170.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 41.4 p90 -88.84 -14.66 36.41 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 116.003 1.853 . . . . 0.0 116.003 -170.622 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -172.08 -53.12 0.02 OUTLIER 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 127.406 2.283 . . . . 0.0 106.651 -177.821 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -40.32 135.58 0.49 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.626 0 C-N-CA 124.212 1.005 . . . . 0.0 109.004 135.758 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 18.8 mmt-85 -91.69 172.34 8.55 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 119.542 1.064 . . . . 0.0 110.003 172.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -53.42 127.39 24.78 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 124.13 0.972 . . . . 0.0 110.674 177.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.6 mm-40 -96.73 177.37 5.67 Favored 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.266 1.026 . . . . 0.0 110.983 -173.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttp -127.46 -112.45 0.28 Allowed 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.229 1.411 . . . . 0.0 108.224 -176.335 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.021 0 CA-C-N 119.218 0.917 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.228 -0.044 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -168.55 161.8 11.74 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.343 1.457 . . . . 0.0 111.143 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.3 -9.42 1.49 Allowed 'General case' 0 CA--C 1.537 0.465 0 C-N-CA 124.831 1.252 . . . . 0.0 111.742 161.085 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 3.6 tm-20 -58.06 -25.53 61.35 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 127.08 2.152 . . . . 0.0 113.098 -175.064 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 11.1 p90 -52.24 -26.91 12.98 Favored 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 125.036 1.335 . . . . 0.0 113.888 172.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -138.41 16.64 3.36 Favored Glycine 0 CA--C 1.526 0.774 0 CA-C-O 116.806 -2.108 . . . . 0.0 112.602 171.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 13.0 t60 -115.84 117.48 30.33 Favored 'General case' 0 C--N 1.344 0.369 0 C-N-CA 126.378 1.871 . . . . 0.0 108.187 172.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -99.15 -45.76 5.8 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 124.885 1.274 . . . . 0.0 108.541 164.778 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 39.8 t -159.75 -93.06 0.03 OUTLIER 'General case' 0 N--CA 1.45 -0.446 0 C-N-CA 126.624 1.97 . . . . 0.0 107.653 165.584 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 111.63 24.12 5.4 Favored Glycine 0 CA--C 1.527 0.82 0 CA-C-O 118.509 -1.161 . . . . 0.0 113.27 -176.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -69.11 -124.36 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.867 0 C-N-CA 126.141 1.776 . . . . 0.0 111.471 173.209 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -70.26 -26.61 63.91 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-N 120.925 1.693 . . . . 0.0 113.26 -174.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.2 p -95.97 141.27 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 N-CA-C 107.838 -1.171 . . . . 0.0 107.838 155.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.0 ppt_? -72.76 177.29 4.9 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.336 1.055 . . . . 0.0 111.654 176.592 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 15.6 m170 -49.72 125.13 10.97 Favored 'General case' 0 N--CA 1.456 -0.171 0 C-N-CA 126.988 2.115 . . . . 0.0 112.145 177.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 22.9 mt-30 -103.6 123.17 46.46 Favored 'General case' 0 N--CA 1.452 -0.348 0 C-N-CA 125.922 1.689 . . . . 0.0 108.299 176.283 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 22.1 pttm -166.0 135.06 3.17 Favored 'General case' 0 CA--C 1.527 0.089 0 C-N-CA 123.975 0.91 . . . . 0.0 110.01 -169.231 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.248 0 O-C-N 121.91 -0.494 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.015 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 14.7 p-10 -175.56 136.62 0.34 Allowed 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.586 1.554 . . . . 0.0 110.417 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -167.34 -25.57 0.02 OUTLIER 'General case' 0 CA--C 1.534 0.35 0 C-N-CA 125.249 1.419 . . . . 0.0 112.484 177.732 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -78.55 6.17 9.24 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.956 1.703 . . . . 0.0 114.058 -174.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 35.9 p90 -66.91 -18.26 65.29 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.733 0.813 . . . . 0.0 112.178 157.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -151.33 21.38 0.95 Allowed Glycine 0 CA--C 1.533 1.193 0 C-N-CA 125.616 1.579 . . . . 0.0 113.439 -179.432 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 22.0 t60 -120.92 124.4 44.85 Favored 'General case' 0 C--N 1.346 0.423 0 CA-C-N 118.91 1.355 . . . . 0.0 112.04 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -107.96 168.32 9.36 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.305 1.842 . . . . 0.0 108.096 146.744 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 50.2 m -41.34 -67.48 0.25 Allowed 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 125.878 1.671 . . . . 0.0 114.573 -167.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 84.09 13.71 73.76 Favored Glycine 0 CA--C 1.534 1.266 0 CA-C-O 117.449 -1.751 . . . . 0.0 115.473 171.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -72.16 -18.47 61.87 Favored 'General case' 0 N--CA 1.47 0.566 0 N-CA-C 117.082 2.252 . . . . 0.0 117.082 -165.329 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 -161.52 -50.12 0.04 OUTLIER 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 120.474 1.488 . . . . 0.0 110.416 176.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -65.76 130.35 30.94 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.245 0 N-CA-C 105.806 -1.924 . . . . 0.0 105.806 145.646 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 11.5 mpt_? -66.65 -176.33 0.47 Allowed 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.522 1.129 . . . . 0.0 110.747 -177.296 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m170 -52.66 135.99 33.83 Favored 'General case' 0 CA--C 1.534 0.358 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 165.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -120.27 121.71 39.27 Favored 'General case' 0 N--CA 1.452 -0.354 0 C-N-CA 125.666 1.586 . . . . 0.0 106.793 179.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.84 -10.39 0.24 Allowed 'General case' 0 CA--C 1.538 0.519 0 N-CA-C 113.091 0.774 . . . . 0.0 113.091 -177.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.052 0 CA-C-N 119.04 0.836 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.147 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 26.1 t0 -161.41 162.52 30.66 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 123.985 0.914 . . . . 0.0 112.113 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -143.74 -2.62 0.93 Allowed 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 126.095 1.758 . . . . 0.0 111.977 168.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -63.63 -22.21 66.78 Favored 'General case' 0 CA--C 1.539 0.548 0 C-N-CA 125.477 1.511 . . . . 0.0 113.489 -172.499 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 19.1 p90 -59.34 -14.27 11.1 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 125.541 1.536 . . . . 0.0 114.453 175.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -141.45 -1.6 1.43 Allowed Glycine 0 CA--C 1.53 0.998 0 C-N-CA 124.654 1.121 . . . . 0.0 113.004 170.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t60 -94.98 118.05 31.17 Favored 'General case' 0 C--N 1.344 0.332 0 CA-C-N 118.889 1.344 . . . . 0.0 110.754 178.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -115.89 -24.27 8.22 Favored 'General case' 0 CA--C 1.541 0.623 0 C-N-CA 125.303 1.441 . . . . 0.0 109.796 150.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 78.5 p -167.86 -126.83 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.481 0 C-N-CA 126.409 1.883 . . . . 0.0 109.615 -175.339 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 112.52 15.26 9.69 Favored Glycine 0 CA--C 1.532 1.117 0 CA-C-O 117.985 -1.453 . . . . 0.0 112.667 -175.035 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -101.24 -12.74 18.47 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 115.982 1.845 . . . . 0.0 115.982 -171.378 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -147.45 -35.59 0.23 Allowed 'General case' 0 N--CA 1.475 0.776 0 CA-C-N 120.449 1.477 . . . . 0.0 111.641 170.647 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.9 p -75.22 150.12 6.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.438 0 N-CA-C 107.024 -1.472 . . . . 0.0 107.024 142.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.1 ppt_? -86.64 174.36 8.93 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 119.025 0.829 . . . . 0.0 110.69 170.009 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -63.47 110.3 1.91 Allowed 'General case' 0 N--CA 1.464 0.233 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 172.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -73.55 -29.82 62.67 Favored 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.736 1.214 . . . . 0.0 113.212 -160.428 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 78.1 tttt -157.8 124.36 4.88 Favored 'General case' 0 C--N 1.343 0.318 0 C-N-CA 123.648 0.779 . . . . 0.0 109.969 -177.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 O-C-N 122.119 -0.363 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.087 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 20.7 t0 -167.5 150.93 6.25 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.057 0.943 . . . . 0.0 111.818 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -164.13 -27.62 0.04 OUTLIER 'General case' 0 CA--C 1.538 0.483 0 C-N-CA 125.944 1.697 . . . . 0.0 112.938 173.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 56.0 mt-10 -79.09 4.74 13.73 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 115.136 1.532 . . . . 0.0 115.136 -167.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 20.7 p90 -59.59 -29.24 67.83 Favored 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 123.302 0.641 . . . . 0.0 111.441 160.244 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -125.15 -21.1 2.12 Favored Glycine 0 CA--C 1.531 1.077 0 C-N-CA 125.616 1.579 . . . . 0.0 112.805 177.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 19.1 t60 -86.07 102.33 13.74 Favored 'General case' 0 CA--C 1.533 0.298 0 CA-C-N 118.961 1.381 . . . . 0.0 110.142 -177.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.9 p-10 -78.43 -64.7 1.11 Allowed 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.151 1.38 . . . . 0.0 107.647 156.715 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 47.2 t -160.05 -84.85 0.04 OUTLIER 'General case' 0 N--CA 1.448 -0.528 0 C-N-CA 125.731 1.612 . . . . 0.0 107.416 166.119 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 92.19 43.11 4.45 Favored Glycine 0 CA--C 1.531 1.036 0 C-N-CA 125.032 1.301 . . . . 0.0 112.883 173.09 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -81.79 -18.51 43.82 Favored 'General case' 0 CA--C 1.541 0.621 0 N-CA-C 115.723 1.749 . . . . 0.0 115.723 -174.091 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -154.03 -48.58 0.09 Allowed 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 119.965 1.257 . . . . 0.0 110.228 -176.192 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.7 p -66.07 144.36 14.79 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 N-CA-C 105.758 -1.942 . . . . 0.0 105.758 145.477 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 5.5 ppt_? -70.13 177.97 3.0 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 119.083 0.856 . . . . 0.0 110.6 169.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -48.42 115.11 1.11 Allowed 'General case' 0 C--N 1.341 0.213 0 C-N-CA 123.715 0.806 . . . . 0.0 109.553 174.275 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -81.01 -25.1 37.46 Favored 'General case' 0 CA--C 1.535 0.399 0 C-N-CA 123.69 0.796 . . . . 0.0 111.242 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 38.8 mttp -117.1 -178.5 3.46 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 126.112 1.765 . . . . 0.0 110.565 178.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.147 0 O-C-N 121.339 -0.851 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.127 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -168.26 177.56 5.37 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 122.167 0.984 . . . . 0.0 113.422 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.79 -19.13 0.22 Allowed 'General case' 0 N--CA 1.452 -0.346 0 C-N-CA 126.848 2.059 . . . . 0.0 111.305 173.173 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -56.31 -18.63 11.3 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 126.843 2.057 . . . . 0.0 113.44 -175.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -57.27 -26.84 61.46 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 125.297 1.439 . . . . 0.0 113.218 174.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.45 -15.01 1.48 Allowed Glycine 0 CA--C 1.532 1.097 0 C-N-CA 124.968 1.27 . . . . 0.0 113.183 174.227 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -70.92 122.83 20.69 Favored 'General case' 0 C--N 1.34 0.191 0 CA-C-N 118.693 1.246 . . . . 0.0 109.951 -171.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -76.87 -71.72 0.38 Allowed 'General case' 0 N--CA 1.453 -0.296 0 C-N-CA 124.709 1.203 . . . . 0.0 108.122 171.451 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.7 m -163.5 -81.58 0.03 OUTLIER 'General case' 0 N--CA 1.453 -0.302 0 C-N-CA 127.721 2.408 . . . . 0.0 106.097 166.678 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 75.65 37.09 41.09 Favored Glycine 0 CA--C 1.529 0.946 0 CA-C-O 119.109 -0.829 . . . . 0.0 112.602 175.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -99.22 -31.51 11.69 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 115.424 1.639 . . . . 0.0 115.424 -174.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -107.51 -53.27 2.64 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 120.205 1.366 . . . . 0.0 110.416 178.257 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -88.98 161.32 2.71 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.461 0 C-N-CA 125.788 1.635 . . . . 0.0 106.875 154.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -63.05 174.03 1.24 Allowed 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 123.312 0.645 . . . . 0.0 112.454 172.19 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.3 m-70 -50.47 138.95 16.47 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.782 1.233 . . . . 0.0 110.511 174.293 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.5 mm-40 -116.2 -25.09 7.71 Favored 'General case' 0 N--CA 1.463 0.194 0 N-CA-C 113.911 1.078 . . . . 0.0 113.911 -167.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -119.67 153.92 34.83 Favored 'General case' 0 CA--C 1.532 0.252 0 CA-C-N 118.892 0.769 . . . . 0.0 110.616 -167.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.106 0 O-C-N 121.912 -0.493 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.109 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 64.03 173.5 0.18 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 126.514 1.926 . . . . 0.0 111.994 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -162.04 -18.23 0.04 OUTLIER 'General case' 0 N--CA 1.457 -0.106 0 N-CA-C 114.357 1.243 . . . . 0.0 114.357 -176.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -66.91 -16.49 64.36 Favored 'General case' 0 CA--C 1.533 0.326 0 C-N-CA 124.672 1.189 . . . . 0.0 113.533 -168.034 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 18.8 p90 -58.2 -20.61 42.83 Favored 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 125.427 1.491 . . . . 0.0 113.031 167.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.88 19.08 3.52 Favored Glycine 0 CA--C 1.536 1.405 0 C-N-CA 126.792 2.139 . . . . 0.0 112.705 174.134 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -137.67 138.09 39.06 Favored 'General case' 0 C--N 1.344 0.355 0 C-N-CA 124.817 1.247 . . . . 0.0 111.481 -177.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.509 ' HB3' ' HE2' ' A' ' 16' ' ' LYS . 9.8 p-10 -127.48 -29.52 2.67 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 126.616 1.967 . . . . 0.0 111.502 173.682 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 11.9 t -168.23 -144.29 0.05 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 124.27 1.028 . . . . 0.0 109.278 -161.473 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 106.06 11.01 28.92 Favored Glycine 0 CA--C 1.53 0.997 0 CA-C-O 118.7 -1.056 . . . . 0.0 113.054 -176.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 6.4 p90 -91.86 -22.75 19.93 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 119.446 1.623 . . . . 0.0 115.274 -167.453 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.57 -44.22 0.08 Allowed 'General case' 0 N--CA 1.472 0.646 0 C-N-CA 124.506 1.123 . . . . 0.0 109.488 160.241 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.51 141.39 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.385 0 N-CA-C 106.9 -1.518 . . . . 0.0 106.9 147.679 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.76 -178.29 2.22 Favored 'General case' 0 CA--C 1.549 0.92 0 O-C-N 122.218 -0.301 . . . . 0.0 110.23 168.908 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.4 m170 -55.6 122.64 11.8 Favored 'General case' 0 N--CA 1.463 0.219 0 C-N-CA 124.339 1.056 . . . . 0.0 109.176 174.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 51.2 mt-30 -81.44 -22.25 38.3 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 118.59 -0.719 . . . . 0.0 110.553 177.054 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.509 ' HE2' ' HB3' ' A' ' 7' ' ' ASP . 49.8 mtmt -72.76 99.25 2.57 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 124.163 0.985 . . . . 0.0 109.379 169.036 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.176 0 CA-C-N 116.409 -0.359 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.054 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 82.29 171.94 0.11 Allowed 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 126.862 2.065 . . . . 0.0 111.742 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -157.16 -15.19 0.09 Allowed 'General case' 0 CA--C 1.531 0.225 0 C-N-CA 125.908 1.683 . . . . 0.0 112.025 177.663 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -66.78 -13.87 61.97 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 126.74 2.016 . . . . 0.0 113.519 -170.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.9 p90 -61.76 -31.75 71.96 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.466 1.107 . . . . 0.0 112.747 168.507 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -109.75 -28.49 4.21 Favored Glycine 0 CA--C 1.53 1.015 0 C-N-CA 125.496 1.522 . . . . 0.0 112.043 175.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 43.8 t60 -85.14 111.18 19.55 Favored 'General case' 0 N--CA 1.452 -0.349 0 C-N-CA 124.86 1.264 . . . . 0.0 109.752 178.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -108.39 -25.29 11.06 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 126.671 1.988 . . . . 0.0 110.363 169.25 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 84.9 p -174.86 -141.34 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.453 0 C-N-CA 128.196 2.598 . . . . 0.0 107.876 -175.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 138.03 6.17 1.51 Allowed Glycine 0 C--N 1.339 0.719 0 CA-C-O 117.396 -1.78 . . . . 0.0 115.303 160.166 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -55.99 -68.93 0.16 Allowed 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 119.628 1.714 . . . . 0.0 113.278 -173.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 55.2 tt0 -115.68 -59.68 1.97 Allowed 'General case' 0 N--CA 1.465 0.308 0 C-N-CA 125.22 1.408 . . . . 0.0 108.446 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.3 p -59.37 129.9 22.22 Favored 'Isoleucine or valine' 0 C--N 1.344 0.357 0 N-CA-C 106.308 -1.738 . . . . 0.0 106.308 152.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 36.3 ptt180 -79.46 -158.65 0.16 Allowed 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 123.747 0.819 . . . . 0.0 110.4 -177.593 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -66.71 119.86 12.51 Favored 'General case' 0 C--O 1.232 0.138 0 O-C-N 121.623 -0.673 . . . . 0.0 109.489 174.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 45.3 mt-30 -94.88 137.93 33.31 Favored 'General case' 0 N--CA 1.452 -0.332 0 C-N-CA 125.397 1.479 . . . . 0.0 108.625 -176.529 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 89.0 mttt -140.39 119.43 12.73 Favored 'General case' 0 CA--C 1.53 0.177 0 N-CA-C 108.807 -0.812 . . . . 0.0 108.807 -160.092 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.108 0 O-C-N 122.022 -0.424 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 26.4 t0 -156.57 144.17 19.21 Favored 'General case' 0 CA--C 1.533 0.31 0 C-N-CA 124.176 0.99 . . . . 0.0 111.731 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 80.64 -14.7 0.81 Allowed 'General case' 0 CA--C 1.533 0.324 0 C-N-CA 129.233 3.013 . . . . 0.0 114.205 176.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 24.6 mp0 -66.61 -12.0 56.04 Favored 'General case' 0 C--N 1.348 0.514 0 CA-C-N 119.973 1.26 . . . . 0.0 113.734 -171.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 11.8 p90 -57.34 -26.38 60.88 Favored 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 123.772 0.829 . . . . 0.0 112.744 170.165 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -129.11 -8.11 3.82 Favored Glycine 0 C--N 1.341 0.831 0 CA-C-O 117.957 -1.469 . . . . 0.0 113.55 174.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -102.6 129.13 49.07 Favored 'General case' 0 CA--C 1.53 0.196 0 C-N-CA 125.275 1.43 . . . . 0.0 109.857 179.382 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -108.01 -47.19 3.61 Favored 'General case' 0 C--O 1.225 -0.187 0 C-N-CA 125.299 1.439 . . . . 0.0 108.552 162.256 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.4 p -158.87 -130.42 0.03 OUTLIER 'General case' 0 N--CA 1.44 -0.957 0 C-N-CA 129.631 3.172 . . . . 0.0 104.146 -175.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 125.08 32.89 0.76 Allowed Glycine 0 C--N 1.337 0.595 0 CA-C-O 118.176 -1.347 . . . . 0.0 112.275 168.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -76.73 -49.09 16.84 Favored 'General case' 0 CA--C 1.538 0.497 0 N-CA-C 114.597 1.332 . . . . 0.0 114.597 -170.036 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -131.28 -38.01 1.22 Allowed 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 120.348 1.431 . . . . 0.0 110.819 172.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.8 p -64.55 144.28 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.282 0 N-CA-C 106.878 -1.527 . . . . 0.0 106.878 147.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.2 ppt_? -86.26 -174.84 5.25 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 118.692 0.678 . . . . 0.0 110.505 172.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 53.1 m170 -57.14 126.23 26.26 Favored 'General case' 0 CA--C 1.533 0.294 0 C-N-CA 126.028 1.731 . . . . 0.0 111.285 -176.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.3 mt-30 -103.72 29.16 5.97 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.063 1.345 . . . . 0.0 112.004 -170.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 46.7 pttt -64.66 -14.26 57.52 Favored 'General case' 0 N--CA 1.472 0.672 0 N-CA-C 113.789 1.033 . . . . 0.0 113.789 -179.787 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.021 0 CA-C-N 118.821 0.737 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.11 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -163.75 162.52 23.97 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.939 0.876 . . . . 0.0 111.957 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -146.34 -34.77 0.29 Allowed 'General case' 0 CA--C 1.536 0.413 0 C-N-CA 127.166 2.186 . . . . 0.0 110.477 174.093 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -74.32 -2.59 25.81 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 126.926 2.09 . . . . 0.0 114.763 -162.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 8.7 p90 -49.42 -28.97 5.72 Favored 'General case' 0 N--CA 1.467 0.383 0 C-N-CA 124.86 1.264 . . . . 0.0 112.981 163.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -157.87 20.27 0.36 Allowed Glycine 0 CA--C 1.528 0.871 0 CA-C-O 118.093 -1.393 . . . . 0.0 112.447 165.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 28.3 t60 -89.1 133.68 34.29 Favored 'General case' 0 C--N 1.345 0.409 0 CA-C-N 119.09 1.445 . . . . 0.0 110.312 166.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 14.1 p-10 -134.73 -23.97 1.55 Allowed 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 127.314 2.246 . . . . 0.0 110.536 169.542 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 90.7 p -174.21 -130.23 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 128.099 2.56 . . . . 0.0 105.812 -167.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.64 11.17 21.86 Favored Glycine 0 C--O 1.219 -0.842 0 CA-C-O 118.069 -1.406 . . . . 0.0 113.191 165.668 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -81.81 -25.76 34.94 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 118.963 1.382 . . . . 0.0 113.831 -172.858 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -153.4 -62.48 0.14 Allowed 'General case' 0 CA--C 1.531 0.224 0 C-N-CA 124.701 1.2 . . . . 0.0 108.189 -173.207 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.1 p -63.75 135.87 27.08 Favored 'Isoleucine or valine' 0 C--N 1.345 0.399 0 N-CA-C 106.681 -1.6 . . . . 0.0 106.681 147.513 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 2.9 ppt_? -69.48 177.68 2.79 Favored 'General case' 0 CA--C 1.541 0.613 0 C-N-CA 123.799 0.839 . . . . 0.0 110.663 170.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 61.7 m170 -59.25 126.96 29.79 Favored 'General case' 0 CA--C 1.521 -0.135 0 C-N-CA 123.759 0.824 . . . . 0.0 110.903 -178.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 29.9 mt-30 -99.51 -7.16 26.34 Favored 'General case' 0 CA--C 1.536 0.441 0 C-N-CA 123.913 0.885 . . . . 0.0 111.814 175.594 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 14.5 mmtt -152.59 -60.71 0.15 Allowed 'General case' 0 C--N 1.344 0.369 0 C-N-CA 125.422 1.489 . . . . 0.0 110.413 172.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.193 0 O-C-N 121.935 -0.478 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.045 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 70.67 178.06 0.26 Allowed 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 126.559 1.944 . . . . 0.0 111.666 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.68 -14.63 0.06 Allowed 'General case' 0 CA--C 1.533 0.321 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -173.576 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -76.19 -11.59 59.95 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 119.31 0.959 . . . . 0.0 113.55 -169.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 9.2 p90 -62.02 -20.59 64.09 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.534 1.133 . . . . 0.0 111.771 165.853 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.85 26.3 3.3 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.364 1.935 . . . . 0.0 112.692 174.177 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 52.9 t60 -148.4 115.93 6.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 124.798 1.239 . . . . 0.0 109.18 175.345 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -109.77 -26.36 9.88 Favored 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 125.237 1.415 . . . . 0.0 112.136 177.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.5 t -175.91 -158.7 0.06 Allowed 'General case' 0 CA--C 1.547 0.844 0 C-N-CA 127.487 2.315 . . . . 0.0 108.35 -170.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 129.79 33.6 0.51 Allowed Glycine 0 CA--C 1.533 1.199 0 CA-C-O 118.346 -1.252 . . . . 0.0 114.741 178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -92.78 -21.4 19.95 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-N 118.898 1.349 . . . . 0.0 114.306 -174.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 39.6 tt0 -170.48 -60.67 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.38 0 C-N-CA 127.379 2.272 . . . . 0.0 106.092 179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.2 p -58.7 135.78 22.8 Favored 'Isoleucine or valine' 0 C--N 1.342 0.266 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 149.639 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 55.5 mtm180 -75.9 -170.07 1.26 Allowed 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 124.519 1.128 . . . . 0.0 110.921 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -56.6 139.45 49.89 Favored 'General case' 0 N--CA 1.453 -0.304 0 C-N-CA 123.655 0.782 . . . . 0.0 109.231 164.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 27.6 mt-30 -122.39 -3.45 8.91 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.811 1.244 . . . . 0.0 111.591 176.647 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 35.3 tttp -157.43 -61.0 0.09 Allowed 'General case' 0 C--N 1.349 0.569 0 CA-C-N 119.297 0.953 . . . . 0.0 113.075 168.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.109 0 O-C-N 121.34 -0.85 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.126 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 28.1 t70 73.55 169.94 0.31 Allowed 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 127.703 2.401 . . . . 0.0 112.152 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.07 -8.56 0.29 Allowed 'General case' 0 CA--C 1.537 0.456 0 C-N-CA 125.128 1.371 . . . . 0.0 112.951 169.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -66.45 -14.49 62.27 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 120.054 1.297 . . . . 0.0 113.593 -174.372 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.9 p90 -58.89 -28.92 66.62 Favored 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 124.337 1.055 . . . . 0.0 113.005 168.666 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -124.83 4.31 8.53 Favored Glycine 0 CA--C 1.531 1.061 0 C-N-CA 125.751 1.643 . . . . 0.0 113.436 178.136 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.1 t60 -117.28 128.66 55.28 Favored 'General case' 0 C--N 1.342 0.27 0 C-N-CA 125.704 1.602 . . . . 0.0 109.468 179.167 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -121.59 -37.18 2.93 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 125.057 1.343 . . . . 0.0 110.998 175.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 58.3 m -157.07 -122.75 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.162 1.785 . . . . 0.0 108.106 179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.57 9.51 23.13 Favored Glycine 0 C--N 1.345 1.037 0 CA-C-O 117.887 -1.507 . . . . 0.0 114.949 172.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.0 -88.23 0.26 Allowed 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 119.543 1.672 . . . . 0.0 110.196 -178.289 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.11 -41.6 20.27 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 121.005 1.73 . . . . 0.0 110.838 174.026 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -80.01 162.54 3.74 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.638 0 C-N-CA 125.605 1.562 . . . . 0.0 108.883 164.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 87.9 mtt180 -82.24 178.59 8.18 Favored 'General case' 0 CA--C 1.537 0.48 0 O-C-N 121.684 -0.635 . . . . 0.0 111.228 169.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m170 -63.17 131.71 49.36 Favored 'General case' 0 CA--C 1.536 0.405 0 N-CA-C 107.424 -1.325 . . . . 0.0 107.424 151.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 6.3 pt20 -170.54 -17.56 0.01 OUTLIER 'General case' 0 CA--C 1.538 0.49 0 N-CA-C 114.689 1.366 . . . . 0.0 114.689 -176.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 68.1 mttm -74.41 146.52 42.85 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 119.702 1.137 . . . . 0.0 110.75 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 122.022 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 74.34 162.32 0.25 Allowed 'General case' 0 CA--C 1.537 0.446 0 C-N-CA 127.797 2.439 . . . . 0.0 111.72 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.38 -27.48 0.08 Allowed 'General case' 0 CA--C 1.536 0.419 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -172.001 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -83.19 8.85 12.02 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.371 1.068 . . . . 0.0 113.714 -167.659 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -65.57 -27.18 68.25 Favored 'General case' 0 CA--C 1.54 0.582 0 C-N-CA 123.939 0.896 . . . . 0.0 111.255 158.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.68 26.79 3.8 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 126.354 1.931 . . . . 0.0 112.351 -178.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 9.4 t60 -152.32 143.29 23.06 Favored 'General case' 0 C--N 1.344 0.366 0 CA-C-N 118.533 1.167 . . . . 0.0 112.321 -177.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -157.28 135.08 10.8 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 125.936 1.694 . . . . 0.0 107.336 149.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.8 m 54.77 -138.65 1.07 Allowed 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 124.783 1.233 . . . . 0.0 111.026 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.27 4.43 28.99 Favored Glycine 0 C--N 1.342 0.888 0 CA-C-O 117.579 -1.678 . . . . 0.0 114.682 171.466 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.6 p90 -79.76 -21.63 44.19 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 119.73 1.765 . . . . 0.0 115.485 -170.201 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 72.1 tt0 -163.34 -51.44 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.528 0 C-N-CA 125.645 1.578 . . . . 0.0 107.811 177.147 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.1 p -59.88 133.77 25.25 Favored 'Isoleucine or valine' 0 C--N 1.342 0.247 0 N-CA-C 106.473 -1.677 . . . . 0.0 106.473 147.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 12.8 mpt_? -76.5 -176.84 3.88 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 122.504 0.322 . . . . 0.0 110.169 176.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -55.74 131.75 47.47 Favored 'General case' 0 N--CA 1.455 -0.179 0 C-N-CA 123.96 0.904 . . . . 0.0 112.312 -171.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -103.09 175.18 5.56 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 126.694 1.998 . . . . 0.0 109.81 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 71.3 mmtt -135.67 81.42 1.89 Allowed 'General case' 0 CA--C 1.535 0.391 0 C-N-CA 124.205 1.002 . . . . 0.0 109.16 -170.591 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.018 0 O-C-N 121.682 -0.637 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.009 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -161.55 174.99 12.59 Favored 'General case' 0 CA--C 1.534 0.33 0 CA-C-O 122.016 0.913 . . . . 0.0 111.757 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -152.62 -18.94 0.16 Allowed 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 126.176 1.79 . . . . 0.0 111.867 179.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -66.45 -13.31 60.61 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 127.257 2.223 . . . . 0.0 114.338 -164.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 34.6 p90 -55.63 -25.63 39.98 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.207 1.403 . . . . 0.0 113.302 166.135 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.59 2.12 1.67 Allowed Glycine 0 CA--C 1.532 1.14 0 C-N-CA 125.156 1.36 . . . . 0.0 113.893 176.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 18.4 t60 -99.72 132.03 45.32 Favored 'General case' 0 C--N 1.342 0.274 0 C-N-CA 125.073 1.349 . . . . 0.0 109.883 178.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.7 p-10 -119.46 -35.6 3.53 Favored 'General case' 0 CA--C 1.54 0.58 0 C-N-CA 126.265 1.826 . . . . 0.0 109.416 164.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 77.4 p -167.71 -124.93 0.01 OUTLIER 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 127.901 2.48 . . . . 0.0 107.067 -178.415 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 131.37 8.88 2.78 Favored Glycine 0 CA--C 1.532 1.129 0 CA-C-O 118.324 -1.264 . . . . 0.0 114.492 172.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -88.5 -21.31 24.23 Favored 'General case' 0 CA--C 1.546 0.799 0 N-CA-C 115.915 1.82 . . . . 0.0 115.915 -166.251 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -156.75 -34.89 0.08 Allowed 'General case' 0 N--CA 1.474 0.75 0 CA-C-N 120.299 1.409 . . . . 0.0 110.985 168.19 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.2 p -72.57 138.62 21.1 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 106.766 -1.568 . . . . 0.0 106.766 145.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.63 -179.78 7.52 Favored 'General case' 0 CA--C 1.543 0.676 0 CA-C-N 118.242 0.473 . . . . 0.0 110.874 173.104 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 30.1 m170 -61.39 133.24 55.58 Favored 'General case' 0 CA--C 1.528 0.131 0 C-N-CA 124.442 1.097 . . . . 0.0 110.845 178.121 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -143.33 141.71 31.05 Favored 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.475 1.11 . . . . 0.0 108.506 174.401 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 39.4 ttpt -74.94 121.27 21.66 Favored 'General case' 0 CA--C 1.534 0.327 0 C-N-CA 123.993 0.917 . . . . 0.0 110.13 -177.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.087 0 O-C-N 122.167 -0.333 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -173.08 148.38 1.71 Allowed 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 125.615 1.566 . . . . 0.0 112.256 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.39 -30.8 0.02 OUTLIER 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 114.658 1.355 . . . . 0.0 114.658 -179.466 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -72.02 -7.77 50.7 Favored 'General case' 0 N--CA 1.471 0.623 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -163.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 29.7 p90 -55.1 -22.23 15.67 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.667 1.187 . . . . 0.0 112.455 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -134.24 -13.64 1.31 Allowed Glycine 0 C--N 1.344 0.976 0 CA-C-O 118.101 -1.389 . . . . 0.0 113.143 163.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 21.9 t60 -84.17 90.95 7.59 Favored 'General case' 0 C--N 1.344 0.35 0 CA-C-N 119.579 1.69 . . . . 0.0 110.535 177.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -80.74 -31.02 36.11 Favored 'General case' 0 CA--C 1.536 0.422 0 C-N-CA 125.207 1.403 . . . . 0.0 111.223 162.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -179.74 -170.86 0.17 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 129.547 3.139 . . . . 0.0 108.175 -177.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 165.73 13.02 0.03 OUTLIER Glycine 0 C--N 1.342 0.909 0 CA-C-O 117.202 -1.888 . . . . 0.0 116.42 164.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 7.0 p90 -78.54 -24.24 45.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 120.378 2.089 . . . . 0.0 115.717 -171.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -160.61 -56.57 0.05 Allowed 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 125.399 1.479 . . . . 0.0 107.749 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 13.5 p -56.82 130.29 19.45 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 107.038 -1.467 . . . . 0.0 107.038 143.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 10.4 mpt_? -76.76 177.92 7.21 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.59 1.156 . . . . 0.0 111.171 179.351 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -47.35 137.18 8.7 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 115.286 -0.87 . . . . 0.0 110.006 150.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.9 mt-30 -141.19 1.78 1.64 Allowed 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.943 1.297 . . . . 0.0 112.201 177.061 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -80.98 79.21 7.71 Favored 'General case' 0 CA--C 1.534 0.357 0 C-N-CA 125.071 1.349 . . . . 0.0 108.684 171.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.138 0 O-C-N 121.746 -0.596 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.028 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -169.43 -168.32 0.79 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.446 0.906 . . . . 0.0 113.446 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.89 -6.87 0.16 Allowed 'General case' 0 CA--C 1.54 0.59 0 C-N-CA 126.123 1.769 . . . . 0.0 113.106 170.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -62.54 -21.75 65.8 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-N 120.067 1.303 . . . . 0.0 113.385 -176.323 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 32.6 p90 -58.75 -26.85 64.38 Favored 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 124.193 0.997 . . . . 0.0 112.888 173.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.65 19.29 5.6 Favored Glycine 0 CA--C 1.531 1.044 0 C-N-CA 125.746 1.641 . . . . 0.0 112.286 177.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 45.0 t60 -135.17 125.32 26.09 Favored 'General case' 0 N--CA 1.454 -0.262 0 C-N-CA 124.601 1.16 . . . . 0.0 110.917 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -138.15 -63.84 0.55 Allowed 'General case' 0 N--CA 1.452 -0.327 0 N-CA-C 107.096 -1.446 . . . . 0.0 107.096 128.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.1 m -130.07 169.49 15.23 Favored 'General case' 0 C--N 1.338 0.092 0 CA-C-O 121.542 0.687 . . . . 0.0 112.469 -166.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 96.31 78.75 1.43 Allowed Glycine 0 CA--C 1.525 0.677 0 N-CA-C 107.249 -2.341 . . . . 0.0 107.249 -160.215 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -109.76 -47.94 3.28 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 117.59 -1.195 . . . . 0.0 113.883 -167.057 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -96.7 -30.46 13.21 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 119.998 1.272 . . . . 0.0 111.479 173.618 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.6 p -71.99 158.07 6.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.654 0 C-N-CA 125.06 1.344 . . . . 0.0 107.919 148.224 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.4 ppt_? -66.3 168.7 8.34 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.172 -0.955 . . . . 0.0 110.805 168.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -56.06 139.44 46.93 Favored 'General case' 0 C--O 1.225 -0.189 0 C-N-CA 124.653 1.181 . . . . 0.0 112.914 -171.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -134.9 121.02 19.99 Favored 'General case' 0 N--CA 1.45 -0.46 0 C-N-CA 125.089 1.355 . . . . 0.0 107.729 177.424 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -110.22 146.06 36.23 Favored 'General case' 0 CA--C 1.534 0.353 0 C-N-CA 124.753 1.221 . . . . 0.0 110.026 179.044 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.068 0 CA-C-N 116.544 -0.298 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 65.59 167.08 0.19 Allowed 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 127.162 2.185 . . . . 0.0 112.023 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.67 -30.05 0.04 OUTLIER 'General case' 0 CA--C 1.533 0.306 0 C-N-CA 124.063 0.945 . . . . 0.0 112.615 179.348 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.0 mp0 -78.35 0.93 23.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 125.16 1.384 . . . . 0.0 113.293 -170.731 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 6.7 p90 -59.4 -17.94 34.7 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.432 1.093 . . . . 0.0 112.628 161.208 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -143.95 -2.81 0.84 Allowed Glycine 0 CA--C 1.529 0.946 0 CA-C-O 117.579 -1.678 . . . . 0.0 113.078 175.653 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -103.51 112.79 25.86 Favored 'General case' 0 C--N 1.346 0.448 0 CA-C-N 119.515 1.657 . . . . 0.0 111.999 178.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.6 p-10 -103.69 165.23 11.17 Favored 'General case' 0 CA--C 1.545 0.755 0 CA-C-N 113.619 -1.628 . . . . 0.0 108.125 143.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.7 m -59.12 -41.66 88.74 Favored 'General case' 0 N--CA 1.469 0.522 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -155.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 74.7 14.27 81.48 Favored Glycine 0 CA--C 1.538 1.494 0 CA-C-O 118.125 -1.375 . . . . 0.0 116.35 164.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.7 p90 -76.73 -10.51 59.43 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 116.521 2.045 . . . . 0.0 116.521 -167.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 38.9 tt0 -169.82 -60.41 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 C-N-CA 125.323 1.449 . . . . 0.0 107.541 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -58.72 129.23 20.56 Favored 'Isoleucine or valine' 0 C--N 1.341 0.235 0 N-CA-C 105.557 -2.016 . . . . 0.0 105.557 149.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 24.7 mmt-85 -73.53 -179.88 3.73 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 120.915 0.388 . . . . 0.0 110.768 -175.482 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m170 -51.06 121.19 5.73 Favored 'General case' 0 N--CA 1.454 -0.247 0 N-CA-C 107.739 -1.208 . . . . 0.0 107.739 157.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.6 mt-30 -89.92 140.43 29.62 Favored 'General case' 0 C--O 1.233 0.186 0 N-CA-C 108.99 -0.745 . . . . 0.0 108.99 -175.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -153.32 -86.79 0.06 Allowed 'General case' 0 CA--C 1.533 0.301 0 N-CA-C 108.677 -0.86 . . . . 0.0 108.677 -176.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.113 0 O-C-N 121.744 -0.598 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.029 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -168.73 168.77 10.46 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 125.076 1.35 . . . . 0.0 111.049 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -153.2 -11.85 0.16 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 126.084 1.754 . . . . 0.0 111.888 173.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 6.3 tm-20 -64.92 -16.71 63.62 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 127.746 2.418 . . . . 0.0 113.894 -169.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 46.9 p90 -64.35 -27.07 68.77 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 125.321 1.449 . . . . 0.0 113.152 170.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -123.81 0.66 9.24 Favored Glycine 0 CA--C 1.53 1.03 0 C-N-CA 126.213 1.863 . . . . 0.0 112.211 176.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 39.0 t60 -114.52 118.85 34.91 Favored 'General case' 0 C--N 1.341 0.234 0 C-N-CA 125.312 1.445 . . . . 0.0 109.397 179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.9 p-10 -113.22 -20.91 11.24 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.94 1.296 . . . . 0.0 110.449 160.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 60.0 p -174.89 -143.03 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 127.54 2.336 . . . . 0.0 108.715 -178.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 137.48 8.68 1.27 Allowed Glycine 0 CA--C 1.529 0.926 0 CA-C-O 118.568 -1.129 . . . . 0.0 113.353 -177.544 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -68.94 -127.41 0.0 OUTLIER 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 127.299 2.24 . . . . 0.0 111.476 175.475 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.97 -25.13 66.97 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-N 120.713 1.597 . . . . 0.0 113.716 -173.461 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.4 p -91.86 134.5 29.97 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.448 0 N-CA-C 107.95 -1.13 . . . . 0.0 107.95 154.627 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 13.2 ptt180 -76.24 163.04 27.43 Favored 'General case' 0 N--CA 1.466 0.327 0 C-N-CA 124.323 1.049 . . . . 0.0 112.086 179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m-70 -46.59 128.79 10.71 Favored 'General case' 0 C--N 1.342 0.255 0 C-N-CA 124.01 0.924 . . . . 0.0 110.753 165.706 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 5.3 pp0? -173.01 149.84 1.92 Allowed 'General case' 0 CA--C 1.531 0.233 0 C-N-CA 127.37 2.268 . . . . 0.0 108.53 -175.047 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 19.8 pttp -163.25 99.62 0.94 Allowed 'General case' 0 CA--C 1.533 0.293 0 CA-C-O 121.957 0.884 . . . . 0.0 109.726 -179.078 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.146 0 CA-C-N 115.966 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.081 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -162.72 142.01 9.01 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 125.111 1.364 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.409 ' HA ' ' CZ ' ' A' ' 4' ' ' PHE . . . 95.53 -13.17 0.1 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 130.081 3.352 . . . . 0.0 113.388 174.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 27.9 mp0 -65.19 -21.72 66.8 Favored 'General case' 0 N--CA 1.468 0.463 0 N-CA-C 114.476 1.287 . . . . 0.0 114.476 -169.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.409 ' CZ ' ' HA ' ' A' ' 2' ' ' ALA . 4.0 p90 -58.84 -15.15 11.15 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 126.297 1.839 . . . . 0.0 114.325 178.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -150.28 12.14 0.91 Allowed Glycine 0 CA--C 1.527 0.821 0 CA-C-O 118.188 -1.34 . . . . 0.0 113.738 170.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.411 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 50.3 t60 -91.32 111.11 22.46 Favored 'General case' 0 C--N 1.343 0.299 0 CA-C-N 118.74 1.27 . . . . 0.0 111.73 -176.537 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 8.5 p-10 -95.74 172.44 8.04 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-N 113.909 -1.496 . . . . 0.0 107.837 139.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 38.7 m -81.13 -22.35 39.13 Favored 'General case' 0 CA--C 1.532 0.266 0 CA-C-O 117.501 -1.238 . . . . 0.0 114.256 -168.48 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 51.69 42.56 52.5 Favored Glycine 0 CA--C 1.536 1.373 0 CA-C-O 118.461 -1.188 . . . . 0.0 115.442 158.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -79.12 -14.55 59.05 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 116.709 2.115 . . . . 0.0 116.709 -164.086 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -155.24 -64.0 0.12 Allowed 'General case' 0 N--CA 1.467 0.381 0 N-CA-C 107.832 -1.174 . . . . 0.0 107.832 -174.168 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.5 p -59.7 128.62 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.308 0 N-CA-C 106.249 -1.76 . . . . 0.0 106.249 144.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -71.95 -167.14 0.27 Allowed 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 123.333 0.653 . . . . 0.0 111.685 -179.315 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.411 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 3.7 m170 -53.76 139.79 31.74 Favored 'General case' 0 CA--C 1.539 0.546 0 O-C-N 121.746 -0.596 . . . . 0.0 111.427 178.151 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 34.8 mt-30 -131.68 106.84 8.41 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 125.48 1.512 . . . . 0.0 107.34 178.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 54.6 pttt -140.56 -1.7 1.45 Allowed 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 124.938 1.295 . . . . 0.0 112.812 -171.552 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.031 0 O-C-N 121.348 -0.845 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.005 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 36.2 t70 -66.56 149.68 50.11 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 123.742 0.651 . . . . 0.0 110.272 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -119.89 -29.76 4.89 Favored 'General case' 0 CA--C 1.532 0.278 0 C-N-CA 125.16 1.384 . . . . 0.0 111.705 174.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 11.3 tm-20 -64.21 -20.7 66.2 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 126.67 1.988 . . . . 0.0 113.404 -173.374 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 p90 -57.36 -30.91 65.24 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 125.007 1.323 . . . . 0.0 112.827 172.562 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.49 22.04 4.45 Favored Glycine 0 CA--C 1.529 0.952 0 C-N-CA 126.494 1.997 . . . . 0.0 111.439 179.548 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 12.8 t60 -130.61 118.84 21.59 Favored 'General case' 0 C--N 1.342 0.259 0 C-N-CA 125.344 1.457 . . . . 0.0 108.203 175.349 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -99.13 -37.49 9.3 Favored 'General case' 0 CA--C 1.534 0.329 0 N-CA-C 108.696 -0.853 . . . . 0.0 108.696 156.54 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.4 p -168.83 -85.04 0.01 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 125.539 1.535 . . . . 0.0 110.669 175.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 72.95 46.61 28.2 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 109.411 -1.476 . . . . 0.0 109.411 -159.172 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -73.27 -104.9 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 127.497 2.319 . . . . 0.0 111.656 -171.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -86.36 -29.21 23.13 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 119.121 0.873 . . . . 0.0 110.472 162.316 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -57.84 161.91 0.81 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.58 0 C-N-CA 125.802 1.641 . . . . 0.0 108.824 150.612 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.435 ' H ' ' HD2' ' B' ' 13' ' ' ARG . 0.3 OUTLIER -109.41 165.76 11.39 Favored 'General case' 0 CA--C 1.537 0.481 0 O-C-N 121.512 -0.743 . . . . 0.0 110.672 173.648 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -58.4 133.92 56.18 Favored 'General case' 0 C--N 1.34 0.174 0 C-N-CA 123.445 0.698 . . . . 0.0 109.189 165.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 51.4 mm-40 -141.03 155.44 46.18 Favored 'General case' 0 CA--C 1.53 0.184 0 C-N-CA 124.749 1.22 . . . . 0.0 109.843 -177.212 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -84.19 141.91 30.7 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 124.295 1.038 . . . . 0.0 110.118 -175.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.105 0 O-C-N 121.968 -0.458 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.13 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 30.8 t0 -171.52 154.89 3.93 Favored 'General case' 0 CA--C 1.532 0.252 0 O-C-N 124.312 1.007 . . . . 0.0 111.493 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.506 ' HB1' ' CD2' ' B' ' 6' ' ' HIS . . . -168.01 -19.86 0.02 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 126.47 1.908 . . . . 0.0 112.12 -177.817 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -75.64 -6.93 52.81 Favored 'General case' 0 CA--C 1.536 0.428 0 N-CA-C 114.49 1.293 . . . . 0.0 114.49 -163.551 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 24.6 p90 -63.37 -29.38 70.7 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 124.299 1.039 . . . . 0.0 111.596 168.256 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.91 -3.29 12.25 Favored Glycine 0 CA--C 1.534 1.248 0 C-N-CA 125.643 1.592 . . . . 0.0 113.22 174.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -115.84 124.14 49.94 Favored 'General case' 0 C--N 1.344 0.361 0 CA-C-N 118.957 1.379 . . . . 0.0 110.085 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -120.67 -11.89 8.96 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 126.156 1.782 . . . . 0.0 112.396 -179.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 95.6 p 172.51 -176.84 0.06 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 129.603 3.161 . . . . 0.0 108.544 -168.24 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 155.42 18.98 0.04 OUTLIER Glycine 0 CA--C 1.528 0.867 0 CA-C-O 118.884 -0.953 . . . . 0.0 114.634 176.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -104.55 -16.02 15.16 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 125.954 1.702 . . . . 0.0 113.345 -167.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -166.44 -55.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.364 0 C-N-CA 126.244 1.818 . . . . 0.0 107.975 -178.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.8 p -63.5 137.05 25.35 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.324 0 N-CA-C 107.137 -1.431 . . . . 0.0 107.137 147.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.7 ptt-85 -80.04 -13.63 59.16 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -169.307 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m170 141.97 149.63 0.0 OUTLIER 'General case' 0 C--O 1.237 0.422 1 C-N-CA 132.156 4.182 . . . . 0.0 102.846 -159.28 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 39.5 mt-30 -109.01 -19.28 13.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 118.734 -0.651 . . . . 0.0 110.316 154.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 41.2 tptt -81.01 86.52 6.11 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.243 1.017 . . . . 0.0 108.791 168.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.179 0 O-C-N 121.516 -0.74 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.076 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -160.2 175.87 12.41 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.792 0.806 . . . . 0.0 111.981 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -154.37 -14.71 0.13 Allowed 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 127.201 2.2 . . . . 0.0 111.257 170.452 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 5.9 tm-20 -63.12 -22.61 66.97 Favored 'General case' 0 CA--C 1.538 0.518 0 C-N-CA 127.167 2.187 . . . . 0.0 113.286 -172.185 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.3 p90 -51.72 -32.14 29.08 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.901 1.28 . . . . 0.0 112.471 169.046 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -128.72 5.46 6.56 Favored Glycine 0 CA--C 1.53 1.028 0 C-N-CA 125.881 1.705 . . . . 0.0 113.664 -177.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.506 ' CD2' ' HB1' ' A' ' 2' ' ' ALA . 66.0 t60 -122.58 138.24 54.64 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-N 118.881 1.34 . . . . 0.0 111.722 -174.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -132.79 -28.77 1.56 Allowed 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 114.921 -1.036 . . . . 0.0 111.128 153.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 70.6 m -152.82 -158.14 0.86 Allowed 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 126.442 1.897 . . . . 0.0 109.466 178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 151.9 -16.3 0.81 Allowed Glycine 0 CA--C 1.532 1.123 0 CA-C-O 118.975 -0.903 . . . . 0.0 114.416 175.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 1.2 p90 -57.02 -43.15 81.58 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 126.46 1.904 . . . . 0.0 114.502 -171.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -150.52 -42.44 0.13 Allowed 'General case' 0 CA--C 1.531 0.239 0 C-N-CA 123.784 0.834 . . . . 0.0 110.284 -174.168 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 14.3 p -67.94 129.94 32.82 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.233 0 N-CA-C 105.657 -1.979 . . . . 0.0 105.657 144.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -69.31 176.19 3.49 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.92 0.888 . . . . 0.0 109.686 -179.705 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -59.38 125.14 22.42 Favored 'General case' 0 C--N 1.346 0.447 0 CA-C-N 118.983 0.811 . . . . 0.0 108.992 172.725 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 23.3 mp0 -80.15 -2.92 46.78 Favored 'General case' 0 N--CA 1.446 -0.672 0 CA-C-N 114.041 -1.436 . . . . 0.0 111.085 172.306 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 34.2 ttpt -161.16 162.33 31.33 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 124.54 1.136 . . . . 0.0 111.138 -158.128 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.264 0 O-C-N 120.601 -1.312 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.122 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 44.0 t0 127.91 140.09 0.0 OUTLIER 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 130.56 3.544 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -158.61 -9.95 0.07 Allowed 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 126.612 1.965 . . . . 0.0 112.423 167.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -68.4 -10.86 58.06 Favored 'General case' 0 N--CA 1.47 0.555 0 C-N-CA 125.422 1.489 . . . . 0.0 114.822 -167.079 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.4 p90 -53.33 -31.85 46.2 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.87 1.268 . . . . 0.0 112.615 170.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.18 -18.69 3.39 Favored Glycine 0 C--N 1.342 0.913 0 C-N-CA 125.168 1.365 . . . . 0.0 112.092 168.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.403 ' CD2' ' HB1' ' B' ' 2' ' ' ALA . 20.6 t60 -85.92 100.13 11.89 Favored 'General case' 0 C--N 1.346 0.415 0 CA-C-N 118.35 1.075 . . . . 0.0 111.139 -174.519 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 30.9 p-10 -75.95 -79.57 0.1 Allowed 'General case' 0 CA--C 1.537 0.454 0 CA-C-N 115.007 -0.997 . . . . 0.0 108.41 153.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.3 p -145.56 -58.12 0.32 Allowed 'General case' 0 CA--C 1.534 0.328 0 C-N-CA 124.598 1.159 . . . . 0.0 110.68 170.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 79.76 28.85 49.85 Favored Glycine 0 CA--C 1.535 1.296 0 CA-C-O 118.443 -1.199 . . . . 0.0 113.779 171.469 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 4.8 p90 -67.58 -22.06 65.39 Favored 'General case' 0 CA--C 1.54 0.558 0 N-CA-C 116.634 2.087 . . . . 0.0 116.634 -166.13 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -163.14 -53.77 0.04 OUTLIER 'General case' 0 N--CA 1.467 0.381 0 CA-C-N 120.099 1.318 . . . . 0.0 108.109 -176.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -64.63 126.16 22.94 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.334 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 145.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.47 177.78 1.1 Allowed 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 124.44 1.096 . . . . 0.0 111.585 178.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 13.0 m170 -43.56 137.55 2.85 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 125.432 1.493 . . . . 0.0 112.591 179.176 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 33.8 mt-30 -136.89 153.16 50.82 Favored 'General case' 0 CA--C 1.535 0.382 0 C-N-CA 124.552 1.141 . . . . 0.0 109.895 175.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 39.1 pttt -169.91 7.24 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 127.169 2.187 . . . . 0.0 111.385 -178.487 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.078 0 O-C-N 120.949 -1.094 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -166.58 178.14 6.2 Favored 'General case' 0 CA--C 1.539 0.528 0 CA-C-O 122.326 1.06 . . . . 0.0 113.085 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.429 ' H ' ' H ' ' B' ' 3' ' ' GLU . . . -165.87 -17.33 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 128.62 2.768 . . . . 0.0 110.512 -179.672 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.429 ' H ' ' H ' ' B' ' 2' ' ' ALA . 57.1 mt-10 -66.29 -12.9 59.2 Favored 'General case' 0 C--N 1.348 0.5 0 C-N-CA 127.032 2.133 . . . . 0.0 114.527 -174.822 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 p90 -56.22 -35.02 66.85 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 119.003 0.82 . . . . 0.0 111.651 165.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.66 58.37 0.65 Allowed Glycine 0 C--N 1.339 0.695 0 C-N-CA 126.025 1.774 . . . . 0.0 109.005 174.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.1 t60 -164.28 137.43 5.11 Favored 'General case' 0 C--N 1.341 0.217 0 C-N-CA 125.006 1.322 . . . . 0.0 111.129 174.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -131.87 -28.84 1.74 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.172 1.389 . . . . 0.0 110.682 156.704 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 88.3 p -160.47 -127.44 0.02 OUTLIER 'General case' 0 CA--C 1.533 0.312 0 C-N-CA 125.445 1.498 . . . . 0.0 108.7 -178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 87.58 21.16 48.93 Favored Glycine 0 CA--C 1.526 0.748 0 CA-C-O 118.047 -1.418 . . . . 0.0 111.688 -172.567 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -79.37 -68.9 0.62 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-O 117.159 -1.401 . . . . 0.0 112.273 179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -89.51 -45.49 9.37 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 120.436 1.471 . . . . 0.0 111.03 173.592 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 7.0 p -62.59 164.61 1.22 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.819 1.248 . . . . 0.0 108.366 156.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . 0.497 ' H ' ' HD3' ' B' ' 13' ' ' ARG . 0.0 OUTLIER -95.9 171.98 8.3 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.897 0.771 . . . . 0.0 110.501 166.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.421 ' HD1' ' NZ ' ' B' ' 16' ' ' LYS . 25.8 m-70 -65.86 121.08 14.23 Favored 'General case' 0 N--CA 1.455 -0.192 0 N-CA-C 106.686 -1.598 . . . . 0.0 106.686 159.653 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 32.2 mt-30 -106.03 -2.04 23.21 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 118.509 -0.758 . . . . 0.0 112.066 -173.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.421 ' NZ ' ' HD1' ' B' ' 14' ' ' HIS . 25.6 pttm -79.48 156.74 27.69 Favored 'General case' 0 C--N 1.345 0.411 0 C-N-CA 124.217 1.007 . . . . 0.0 112.951 -179.698 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.119 0 O-C-N 121.96 -0.463 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -151.9 141.8 22.04 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.402 0.681 . . . . 0.0 111.634 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 97.44 -15.08 0.06 Allowed 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 130.236 3.415 . . . . 0.0 114.259 172.034 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -63.39 -14.76 53.72 Favored 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 119.862 1.21 . . . . 0.0 114.128 -176.48 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 31.4 p90 -60.18 -36.12 76.89 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 119.209 0.913 . . . . 0.0 112.204 172.447 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -117.29 19.07 11.88 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 125.394 1.473 . . . . 0.0 112.521 177.347 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 43.1 t60 -137.3 138.72 40.32 Favored 'General case' 0 C--N 1.345 0.383 0 CA-C-N 118.74 1.27 . . . . 0.0 112.024 -175.32 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -96.78 -103.9 0.17 Allowed 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 128.181 2.592 . . . . 0.0 109.368 -179.004 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -137.1 -57.4 0.71 Allowed 'General case' 0 N--CA 1.451 -0.38 0 C-N-CA 126.633 1.973 . . . . 0.0 108.335 176.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 98.04 42.35 3.07 Favored Glycine 0 CA--C 1.532 1.12 0 C-N-CA 124.033 0.825 . . . . 0.0 113.717 169.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 33.5 p90 -75.93 -26.23 56.71 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 115.754 1.761 . . . . 0.0 115.754 -168.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -160.95 -55.76 0.05 Allowed 'General case' 0 N--CA 1.467 0.394 0 C-N-CA 124.644 1.178 . . . . 0.0 107.895 175.124 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 5.8 p -55.45 123.97 7.52 Favored 'Isoleucine or valine' 0 C--N 1.343 0.299 0 N-CA-C 106.756 -1.572 . . . . 0.0 106.756 143.865 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 33.8 mmt180 -92.39 -39.93 11.17 Favored 'General case' 0 CA--C 1.517 -0.293 0 CA-C-O 118.825 -0.607 . . . . 0.0 111.454 -170.383 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 2.0 m-70 -130.39 118.51 21.33 Favored 'General case' 0 N--CA 1.45 -0.474 0 O-C-N 123.843 0.714 . . . . 0.0 109.27 164.6 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -82.03 174.11 11.55 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 126.391 1.876 . . . . 0.0 109.173 173.445 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.5 pttp -66.11 11.64 0.08 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 117.865 2.543 . . . . 0.0 117.865 -162.352 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 O-C-N 120.397 -1.44 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 t0 67.92 175.75 0.26 Allowed 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.415 1.886 . . . . 0.0 109.786 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.93 -34.82 0.08 Allowed 'General case' 0 C--N 1.34 0.171 0 CA-C-O 117.28 -1.343 . . . . 0.0 113.327 176.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 tt0 -69.06 -5.72 23.71 Favored 'General case' 0 CA--C 1.542 0.648 0 N-CA-C 114.253 1.205 . . . . 0.0 114.253 -171.314 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.0 p90 -55.5 -22.18 20.02 Favored 'General case' 0 CA--C 1.542 0.664 0 C-N-CA 123.87 0.868 . . . . 0.0 113.052 164.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -148.25 -10.13 0.17 Allowed Glycine 0 CA--C 1.533 1.2 0 CA-C-O 118.646 -1.085 . . . . 0.0 114.059 172.061 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 26.1 t60 -74.06 107.95 6.57 Favored 'General case' 0 C--N 1.344 0.341 0 CA-C-N 119.159 1.479 . . . . 0.0 108.701 174.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 8.3 p-10 -91.82 -46.49 7.84 Favored 'General case' 0 CA--C 1.536 0.434 0 N-CA-C 108.092 -1.077 . . . . 0.0 108.092 152.04 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 22.9 t -159.79 -123.12 0.02 OUTLIER 'General case' 0 CA--C 1.538 0.5 0 C-N-CA 127.685 2.394 . . . . 0.0 108.205 179.24 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 136.29 22.89 0.55 Allowed Glycine 0 CA--C 1.538 1.479 0 C-N-CA 125.71 1.624 . . . . 0.0 114.428 172.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -76.51 -9.0 58.32 Favored 'General case' 0 CA--C 1.543 0.706 0 N-CA-C 116.362 1.986 . . . . 0.0 116.362 -169.444 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 40.2 tt0 -169.49 -73.33 0.02 OUTLIER 'General case' 0 N--CA 1.467 0.389 0 N-CA-C 106.593 -1.632 . . . . 0.0 106.593 -176.006 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 8.8 p -53.51 130.4 15.1 Favored 'Isoleucine or valine' 0 C--N 1.343 0.317 0 N-CA-C 106.963 -1.495 . . . . 0.0 106.963 149.443 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -73.39 -166.3 0.33 Allowed 'General case' 0 CA--C 1.537 0.479 0 C-N-CA 122.974 0.509 . . . . 0.0 111.194 -178.848 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 19.2 m170 -54.33 120.0 5.96 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 121.295 0.569 . . . . 0.0 109.852 168.663 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 48.5 mt-30 -89.83 -21.32 22.63 Favored 'General case' 0 CA--C 1.534 0.334 0 C-N-CA 125.37 1.468 . . . . 0.0 110.771 176.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 ptpp? 49.11 35.25 6.83 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 126.684 1.994 . . . . 0.0 114.439 168.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.016 0 O-C-N 121.477 -0.764 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.022 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 25.9 t0 -161.9 145.8 12.41 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 124.272 1.029 . . . . 0.0 110.369 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.53 -48.37 0.02 OUTLIER 'General case' 0 C--N 1.341 0.215 0 C-N-CA 123.669 0.788 . . . . 0.0 112.376 -176.468 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -79.62 -6.57 57.36 Favored 'General case' 0 N--CA 1.461 0.099 0 N-CA-C 114.719 1.377 . . . . 0.0 114.719 -154.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 49.2 p90 -52.62 -40.37 62.67 Favored 'General case' 0 CA--C 1.538 0.501 0 C-N-CA 123.464 0.706 . . . . 0.0 111.062 163.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -132.61 0.13 4.55 Favored Glycine 0 C--N 1.343 0.953 0 CA-C-O 117.908 -1.495 . . . . 0.0 114.005 -173.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.437 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 74.2 t60 -78.87 94.85 5.26 Favored 'General case' 0 C--N 1.344 0.355 0 CA-C-N 119.19 1.495 . . . . 0.0 109.028 172.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -73.63 -160.44 0.09 Allowed 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 126.834 2.054 . . . . 0.0 109.685 165.639 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 77.8 p -81.29 23.95 0.57 Allowed 'General case' 0 CA--C 1.543 0.686 0 C-N-CA 123.742 0.817 . . . . 0.0 111.804 172.247 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.86 50.8 4.2 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 126.647 2.07 . . . . 0.0 111.405 175.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -96.3 -10.13 28.57 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.725 1.61 . . . . 0.0 114.725 -175.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -148.84 -48.61 0.15 Allowed 'General case' 0 N--CA 1.467 0.415 0 C-N-CA 124.695 1.198 . . . . 0.0 109.171 174.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.36 142.78 14.47 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.339 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 147.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 4.0 ppt_? -67.04 157.69 32.87 Favored 'General case' 0 CA--C 1.54 0.58 0 O-C-N 121.801 -0.562 . . . . 0.0 110.673 179.155 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.437 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 7.2 m-70 -50.36 113.93 1.0 Allowed 'General case' 0 C--N 1.344 0.34 0 C-N-CA 125.262 1.425 . . . . 0.0 109.483 173.393 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.46 -10.81 57.17 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 123.906 0.754 . . . . 0.0 112.506 -159.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 88.0 mttt -109.72 121.09 44.43 Favored 'General case' 0 C--N 1.343 0.325 0 C-N-CA 125.293 1.437 . . . . 0.0 109.111 -178.074 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.054 0 O-C-N 122.023 -0.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.03 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -151.98 145.11 24.59 Favored 'General case' 0 CA--C 1.54 0.583 0 N-CA-C 112.662 0.615 . . . . 0.0 112.662 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -165.18 -33.65 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.603 0 C-N-CA 126.011 1.725 . . . . 0.0 113.476 177.141 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -66.08 -8.75 25.36 Favored 'General case' 0 N--CA 1.474 0.736 0 N-CA-C 115.267 1.58 . . . . 0.0 115.267 -171.489 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 54.6 p90 -59.81 -24.51 64.21 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 118.834 0.743 . . . . 0.0 112.035 171.203 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -147.69 9.42 1.2 Allowed Glycine 0 CA--C 1.531 1.087 0 CA-C-O 118.184 -1.342 . . . . 0.0 114.626 175.248 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . 0.436 ' CG ' ' H ' ' B' ' 7' ' ' ASP . 85.2 t60 -79.82 162.33 25.14 Favored 'General case' 0 CA--C 1.538 0.513 0 CA-C-N 119.372 1.586 . . . . 0.0 111.786 176.469 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . 0.436 ' H ' ' CG ' ' B' ' 6' ' ' HIS . 40.3 p-10 -172.34 -125.56 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 128.054 2.542 . . . . 0.0 107.611 -163.204 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 40.7 m -98.16 -70.48 0.72 Allowed 'General case' 0 CA--C 1.531 0.222 0 C-N-CA 124.139 0.975 . . . . 0.0 108.792 172.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 71.9 20.7 78.96 Favored Glycine 0 CA--C 1.533 1.21 0 CA-C-O 117.959 -1.467 . . . . 0.0 114.683 166.423 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -86.66 -19.81 28.71 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 117.088 2.255 . . . . 0.0 117.088 -167.461 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -161.2 -36.0 0.05 OUTLIER 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 124.948 1.299 . . . . 0.0 110.278 168.379 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 11.8 p -58.82 139.88 17.91 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 140.206 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.3 mpt_? -79.29 176.77 9.37 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-O 121.043 0.449 . . . . 0.0 110.442 -178.054 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 2.2 m170 -50.92 131.26 26.51 Favored 'General case' 0 CA--C 1.536 0.434 0 C-N-CA 123.805 0.842 . . . . 0.0 110.169 162.334 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.6 mt-30 -114.18 -28.37 7.32 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 125.116 1.366 . . . . 0.0 111.356 -178.017 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -79.84 117.34 20.62 Favored 'General case' 0 CA--C 1.531 0.249 0 C-N-CA 125.106 1.362 . . . . 0.0 109.346 -172.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.332 -0.184 0 O-C-N 122.09 -0.381 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.062 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 57.0 p-10 -170.27 155.13 5.16 Favored 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 124.971 1.308 . . . . 0.0 112.188 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 173.67 -29.3 0.0 OUTLIER 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 126.509 1.924 . . . . 0.0 113.731 171.467 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -57.28 -30.5 64.76 Favored 'General case' 0 N--CA 1.471 0.584 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -156.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -55.54 -39.68 70.88 Favored 'General case' 0 CA--C 1.534 0.329 0 C-N-CA 126.448 1.899 . . . . 0.0 114.068 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -115.63 12.66 18.25 Favored Glycine 0 CA--C 1.528 0.892 0 CA-C-O 118.588 -1.118 . . . . 0.0 112.921 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 81.7 t60 -96.18 144.38 26.45 Favored 'General case' 0 C--N 1.342 0.269 0 C-N-CA 124.302 1.041 . . . . 0.0 113.541 -169.218 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -146.52 164.7 31.71 Favored 'General case' 0 CA--C 1.536 0.434 0 CA-C-N 113.699 -1.591 . . . . 0.0 109.205 156.502 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 14.4 m -90.64 -9.71 45.95 Favored 'General case' 0 CA--C 1.538 0.496 0 N-CA-C 116.649 2.092 . . . . 0.0 116.649 -145.687 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 110.5 -10.75 30.64 Favored Glycine 0 CA--C 1.537 1.461 0 N-CA-C 117.102 1.601 . . . . 0.0 117.102 160.343 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -82.09 -18.3 43.52 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 119.931 1.866 . . . . 0.0 115.919 -165.742 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -169.95 -48.73 0.02 OUTLIER 'General case' 0 N--CA 1.469 0.504 0 C-N-CA 125.626 1.57 . . . . 0.0 108.678 -179.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.8 p -67.85 131.33 33.26 Favored 'Isoleucine or valine' 0 N--CA 1.454 -0.238 0 N-CA-C 106.917 -1.512 . . . . 0.0 106.917 144.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.2 mpt_? -99.44 -97.13 0.24 Allowed 'General case' 0 N--CA 1.455 -0.188 0 N-CA-C 106.282 -1.747 . . . . 0.0 106.282 170.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.471 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 4.1 m-70 -119.67 141.16 49.61 Favored 'General case' 0 CA--C 1.533 0.313 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 161.157 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -147.03 154.85 41.69 Favored 'General case' 0 N--CA 1.464 0.264 0 C-N-CA 125.792 1.637 . . . . 0.0 110.051 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 ptpp? -105.99 -83.47 0.52 Allowed 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.586 1.154 . . . . 0.0 109.536 173.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.091 0 CA-C-N 119.639 1.108 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.049 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -161.41 166.82 26.74 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 125.11 1.364 . . . . 0.0 110.159 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -156.83 -28.8 0.09 Allowed 'General case' 0 CA--C 1.533 0.293 0 C-N-CA 125.028 1.331 . . . . 0.0 112.768 -179.524 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -71.6 -4.7 28.55 Favored 'General case' 0 CA--C 1.544 0.74 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 -169.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 23.0 p90 -59.15 -28.69 66.82 Favored 'General case' 0 CA--C 1.54 0.57 0 O-C-N 121.534 -0.729 . . . . 0.0 112.571 164.234 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.31 1.23 2.98 Favored Glycine 0 CA--C 1.53 0.991 0 C-N-CA 125.799 1.666 . . . . 0.0 113.349 -177.487 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 15.0 t60 -101.31 126.23 48.03 Favored 'General case' 0 C--N 1.343 0.295 0 CA-C-N 118.623 1.212 . . . . 0.0 109.677 173.6 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 20.7 p-10 -110.1 -38.68 5.24 Favored 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 126.467 1.907 . . . . 0.0 109.177 161.015 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 46.7 t -168.62 -81.07 0.02 OUTLIER 'General case' 0 CA--C 1.532 0.283 0 C-N-CA 126.357 1.863 . . . . 0.0 109.114 173.261 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.96 40.92 8.99 Favored Glycine 0 CA--C 1.533 1.165 0 CA-C-N 118.474 0.579 . . . . 0.0 112.437 -177.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 25.8 p90 -71.83 -28.8 63.82 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 115.801 1.778 . . . . 0.0 115.801 -166.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 42.1 tt0 -160.01 -59.32 0.06 Allowed 'General case' 0 N--CA 1.464 0.242 0 C-N-CA 125.648 1.579 . . . . 0.0 107.458 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 12.6 p -61.39 134.45 26.76 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 N-CA-C 106.524 -1.658 . . . . 0.0 106.524 146.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.1 ppt_? -69.91 -178.33 1.53 Allowed 'General case' 0 CA--C 1.537 0.465 0 CA-C-N 118.125 0.42 . . . . 0.0 111.308 176.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.1 m80 -52.57 128.6 26.57 Favored 'General case' 0 CA--C 1.531 0.22 0 C-N-CA 124.092 0.957 . . . . 0.0 111.388 -172.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 35.0 mt-30 -102.45 -17.78 15.64 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 118.611 -0.709 . . . . 0.0 112.227 -167.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ptmm? -66.69 -6.7 16.62 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 124.61 1.164 . . . . 0.0 114.027 178.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.046 0 O-C-N 120.93 -1.107 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.131 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 29.4 t70 -159.34 146.52 17.01 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.05 0.94 . . . . 0.0 111.889 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 87.44 -9.69 0.58 Allowed 'General case' 0 CA--C 1.539 0.519 0 C-N-CA 129.185 2.994 . . . . 0.0 114.099 170.291 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 8.0 mp0 -66.71 -19.38 65.74 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 -172.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 46.4 p90 -59.92 -35.92 75.92 Favored 'General case' 0 CA--C 1.536 0.424 0 C-N-CA 125.177 1.391 . . . . 0.0 113.876 -168.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -122.2 -0.82 10.47 Favored Glycine 0 CA--C 1.529 0.907 0 C-N-CA 125.355 1.455 . . . . 0.0 112.909 174.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.517 ' CD2' ' HB1' ' B' ' 2' ' ' ALA . 75.0 t60 -85.74 150.82 24.31 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-N 118.324 1.062 . . . . 0.0 110.825 178.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 14.5 p-10 -175.13 -163.14 0.12 Allowed 'General case' 0 CA--C 1.543 0.685 0 CA-C-N 114.819 -1.082 . . . . 0.0 110.102 -147.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.6 p -48.37 -54.35 14.28 Favored 'General case' 0 C--N 1.345 0.389 0 C-N-CA 123.885 0.874 . . . . 0.0 110.04 167.441 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 67.65 2.22 20.85 Favored Glycine 0 CA--C 1.529 0.93 0 CA-C-O 118.026 -1.43 . . . . 0.0 114.271 164.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -100.46 3.04 42.69 Favored 'General case' 0 CA--C 1.536 0.426 0 CA-C-N 119.191 1.495 . . . . 0.0 114.958 -162.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 -155.16 -54.23 0.09 Allowed 'General case' 0 N--CA 1.462 0.135 0 C-N-CA 125.122 1.369 . . . . 0.0 107.49 176.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.3 p -57.9 144.52 10.43 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.395 0 C-N-CA 124.558 1.143 . . . . 0.0 108.968 150.336 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -87.3 -22.86 24.89 Favored 'General case' 0 N--CA 1.464 0.25 0 CA-C-O 118.691 -0.671 . . . . 0.0 111.923 -170.515 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER 171.2 152.21 0.05 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 128.628 2.771 . . . . 0.0 108.849 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 44.4 mt-30 -138.1 110.41 7.4 Favored 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.554 1.142 . . . . 0.0 109.773 178.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 77.4 mttt -84.83 -66.53 0.88 Allowed 'General case' 0 CA--C 1.532 0.274 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 163.207 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.094 0 O-C-N 121.802 -0.561 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 0.0 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 71.39 -166.37 0.14 Allowed 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 126.091 1.756 . . . . 0.0 110.81 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.517 ' HB1' ' CD2' ' A' ' 6' ' ' HIS . . . -161.65 -16.56 0.04 OUTLIER 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.002 1.321 . . . . 0.0 112.715 175.232 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 51.6 mt-10 -76.45 -11.53 59.9 Favored 'General case' 0 N--CA 1.465 0.301 0 C-N-CA 125.19 1.396 . . . . 0.0 114.42 -170.34 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -58.93 -24.38 62.39 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 124.062 0.945 . . . . 0.0 111.961 165.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.61 35.84 1.9 Allowed Glycine 0 CA--C 1.528 0.902 0 C-N-CA 126.461 1.981 . . . . 0.0 111.164 175.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -142.68 135.75 28.36 Favored 'General case' 0 C--N 1.346 0.418 0 CA-C-N 118.494 1.147 . . . . 0.0 112.001 173.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -177.53 -36.1 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 129.277 3.031 . . . . 0.0 108.458 177.079 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 87.9 p -99.52 176.79 5.37 Favored 'General case' 0 CA--C 1.538 0.503 0 C-N-CA 125.444 1.498 . . . . 0.0 110.311 164.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 88.99 83.58 1.29 Allowed Glycine 0 CA--C 1.528 0.876 0 N-CA-C 109.214 -1.555 . . . . 0.0 109.214 -168.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 32.3 p90 -166.21 -25.34 0.03 OUTLIER 'General case' 0 CA--C 1.542 0.635 0 C-N-CA 125.742 1.617 . . . . 0.0 112.793 -176.517 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 45.5 tt0 -171.91 -50.42 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.473 0 C-N-CA 127.862 2.465 . . . . 0.0 107.077 179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 p -62.75 135.51 27.07 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 N-CA-C 106.745 -1.576 . . . . 0.0 106.745 146.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.47 172.13 13.81 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 118.587 0.63 . . . . 0.0 109.543 166.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -57.69 128.58 37.79 Favored 'General case' 0 C--O 1.231 0.108 0 O-C-N 121.805 -0.559 . . . . 0.0 111.14 -178.586 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 36.0 mt-30 -82.61 133.61 35.18 Favored 'General case' 0 N--CA 1.453 -0.277 0 C-N-CA 125.321 1.448 . . . . 0.0 108.103 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 21.5 pttt 162.08 54.64 0.0 OUTLIER 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 128.041 2.536 . . . . 0.0 109.866 -166.87 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.034 0 O-C-N 121.163 -0.961 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.008 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 75.5 m-20 -111.34 117.57 33.48 Favored 'General case' 0 CA--C 1.532 0.254 0 C-N-CA 123.618 0.767 . . . . 0.0 110.313 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.21 -46.11 0.11 Allowed 'General case' 0 CA--C 1.531 0.214 0 C-N-CA 124.644 1.177 . . . . 0.0 111.192 171.264 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mp0 -61.77 -19.25 62.28 Favored 'General case' 0 CA--C 1.536 0.416 0 C-N-CA 126.522 1.929 . . . . 0.0 114.354 -173.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 44.0 p90 -57.04 -25.7 59.06 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.938 1.695 . . . . 0.0 113.487 -179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -137.47 35.9 2.01 Favored Glycine 0 C--N 1.34 0.798 0 C-N-CA 124.939 1.256 . . . . 0.0 111.524 174.584 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . 0.442 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 13.1 t60 -138.22 149.29 45.65 Favored 'General case' 0 C--N 1.343 0.314 0 CA-C-O 122.924 1.345 . . . . 0.0 113.95 -173.27 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -164.23 -163.5 0.77 Allowed 'General case' 0 CA--C 1.546 0.805 0 C-N-CA 129.753 3.221 . . . . 0.0 107.856 175.333 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 64.3 m -95.01 -26.98 15.85 Favored 'General case' 0 N--CA 1.468 0.447 0 O-C-N 121.075 -1.015 . . . . 0.0 113.439 179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 82.7 21.04 60.45 Favored Glycine 0 CA--C 1.538 1.5 0 CA-C-O 118.288 -1.284 . . . . 0.0 115.899 162.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -78.29 -16.46 57.73 Favored 'General case' 0 CA--C 1.546 0.824 0 N-CA-C 116.731 2.122 . . . . 0.0 116.731 -167.143 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.82 -49.43 0.14 Allowed 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 121.085 1.766 . . . . 0.0 111.099 167.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.6 p -73.21 128.45 35.89 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.28 0 N-CA-C 105.427 -2.064 . . . . 0.0 105.427 146.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -89.26 179.94 6.0 Favored 'General case' 0 CA--C 1.536 0.436 0 C-N-CA 124.311 1.044 . . . . 0.0 109.456 178.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.442 ' CE1' ' HA ' ' A' ' 6' ' ' HIS . 0.1 OUTLIER -43.32 121.96 2.4 Favored 'General case' 0 CA--C 1.533 0.301 0 C-N-CA 125.061 1.344 . . . . 0.0 112.144 178.676 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 35.5 mt-30 -97.58 163.93 12.64 Favored 'General case' 0 CA--C 1.534 0.33 0 C-N-CA 125.334 1.454 . . . . 0.0 108.144 178.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 26.1 tptp -161.72 126.15 3.36 Favored 'General case' 0 CA--C 1.53 0.203 0 C-N-CA 123.568 0.747 . . . . 0.0 109.339 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.333 -0.128 0 CA-C-N 116.296 -0.411 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.071 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t70 96.47 -159.58 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 127.93 2.492 . . . . 0.0 111.89 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -151.87 -19.28 0.19 Allowed 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 125.554 1.542 . . . . 0.0 113.42 -174.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.9 mt-10 -75.45 -8.06 55.73 Favored 'General case' 0 CA--C 1.535 0.4 0 C-N-CA 124.857 1.263 . . . . 0.0 114.269 -160.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.9 p90 -58.67 -20.36 47.65 Favored 'General case' 0 N--CA 1.467 0.386 0 C-N-CA 125.758 1.623 . . . . 0.0 113.765 163.037 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -142.66 7.61 2.23 Favored Glycine 0 CA--C 1.53 1.012 0 CA-C-O 117.793 -1.56 . . . . 0.0 112.894 178.577 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 58.9 t60 -110.29 138.62 46.42 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.666 1.733 . . . . 0.0 111.661 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.3 p-10 -142.91 -19.17 0.66 Allowed 'General case' 0 CA--C 1.541 0.607 0 C-N-CA 125.681 1.592 . . . . 0.0 111.339 160.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 67.8 p -164.45 -139.73 0.04 OUTLIER 'General case' 0 CA--C 1.54 0.563 0 C-N-CA 125.797 1.639 . . . . 0.0 110.017 -178.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.77 7.09 8.22 Favored Glycine 0 CA--C 1.537 1.466 0 C-N-CA 124.937 1.256 . . . . 0.0 113.402 -173.156 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -97.71 -13.9 21.19 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 115.361 1.615 . . . . 0.0 115.361 -168.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -155.8 -46.81 0.08 Allowed 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 119.505 1.048 . . . . 0.0 109.816 165.77 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 9.9 p -61.54 136.81 24.59 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.33 0 N-CA-C 106.709 -1.589 . . . . 0.0 106.709 146.499 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 3.5 ppt_? -90.88 169.77 10.64 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 122.827 0.451 . . . . 0.0 110.46 172.691 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m-70 -59.27 138.76 57.49 Favored 'General case' 0 C--N 1.34 0.189 0 C-N-CA 123.484 0.714 . . . . 0.0 111.01 177.051 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -159.44 158.75 32.64 Favored 'General case' 0 CA--C 1.531 0.242 0 C-N-CA 124.432 1.093 . . . . 0.0 110.767 -174.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 64.4 tttt -138.19 136.79 36.96 Favored 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 124.018 0.927 . . . . 0.0 110.724 -164.719 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.051 0 O-C-N 122.202 -0.311 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.061 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.8 t0 -163.3 141.93 8.17 Favored 'General case' 0 CA--C 1.532 0.288 0 C-N-CA 124.164 0.985 . . . . 0.0 111.035 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 94.02 -5.35 0.12 Allowed 'General case' 0 N--CA 1.467 0.418 0 C-N-CA 129.858 3.263 . . . . 0.0 113.935 172.362 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 20.4 mp0 -71.03 -7.9 49.59 Favored 'General case' 0 CA--C 1.541 0.605 0 N-CA-C 113.269 0.841 . . . . 0.0 113.269 -178.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 3.7 p90 -66.89 -19.3 65.71 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 124.784 1.233 . . . . 0.0 112.719 169.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -133.26 14.04 4.87 Favored Glycine 0 CA--C 1.532 1.134 0 C-N-CA 125.638 1.59 . . . . 0.0 112.733 174.488 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.5 t60 -139.92 124.51 18.18 Favored 'General case' 0 C--N 1.343 0.297 0 CA-C-N 118.698 1.249 . . . . 0.0 111.255 -178.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 27.0 p-10 -76.83 -61.43 1.97 Allowed 'General case' 0 CA--C 1.532 0.263 0 C-N-CA 124.012 0.925 . . . . 0.0 111.453 175.361 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 99.6 p -175.68 -45.71 0.01 OUTLIER 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 127.444 2.298 . . . . 0.0 108.206 -167.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 80.11 8.92 87.19 Favored Glycine 0 CA--C 1.533 1.211 0 CA-C-O 118.107 -1.385 . . . . 0.0 115.515 162.182 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 8.2 p90 -80.31 -19.82 45.7 Favored 'General case' 0 CA--C 1.54 0.567 0 N-CA-C 115.739 1.755 . . . . 0.0 115.739 -165.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -172.41 -55.77 0.02 OUTLIER 'General case' 0 N--CA 1.464 0.249 0 C-N-CA 127.034 2.134 . . . . 0.0 105.994 -177.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 9.2 p -55.97 151.62 2.33 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.449 0 N-CA-C 109.065 -0.717 . . . . 0.0 109.065 148.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -158.3 128.57 6.09 Favored 'General case' 0 C--N 1.338 0.105 0 CA-C-O 121.538 0.685 . . . . 0.0 111.969 178.648 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.0 m170 58.87 40.02 23.19 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 127.575 2.35 . . . . 0.0 112.76 171.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -103.1 137.45 41.25 Favored 'General case' 0 C--N 1.342 0.271 0 C-N-CA 125.393 1.477 . . . . 0.0 111.191 -179.725 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 ttpt -128.08 -43.82 1.47 Allowed 'General case' 0 CA--C 1.536 0.437 0 C-N-CA 124.221 1.009 . . . . 0.0 110.865 176.383 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 0.005 0 O-C-N 121.489 -0.757 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.229 -0.006 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 10.9 t0 78.36 159.3 0.19 Allowed 'General case' 0 CA--C 1.539 0.55 0 C-N-CA 127.305 2.242 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -161.57 -34.64 0.05 OUTLIER 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 124.373 1.069 . . . . 0.0 112.84 176.563 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -67.94 -15.56 63.67 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 124.26 1.024 . . . . 0.0 113.284 -172.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 38.1 p90 -52.01 -24.55 6.79 Favored 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.849 1.26 . . . . 0.0 112.906 172.202 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -136.29 -6.0 1.97 Allowed Glycine 0 CA--C 1.532 1.136 0 CA-C-O 117.294 -1.837 . . . . 0.0 113.8 171.761 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 25.3 t60 -103.59 124.81 49.49 Favored 'General case' 0 C--N 1.344 0.33 0 CA-C-N 120.745 2.272 . . . . 0.0 112.208 -175.184 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -116.91 -25.17 7.34 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.274 1.029 . . . . 0.0 110.317 147.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 91.1 p -162.86 -145.18 0.1 Allowed 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.969 1.708 . . . . 0.0 110.056 -177.476 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 128.4 19.18 1.73 Allowed Glycine 0 CA--C 1.533 1.174 0 C-N-CA 125.298 1.428 . . . . 0.0 112.012 -168.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -71.59 -114.87 0.0 OUTLIER 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 126.192 1.797 . . . . 0.0 110.616 172.531 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.87 -37.32 70.2 Favored 'General case' 0 N--CA 1.468 0.467 0 CA-C-N 120.763 1.62 . . . . 0.0 112.283 -175.176 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 10.0 p -85.04 140.07 16.53 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.298 0 N-CA-C 107.005 -1.48 . . . . 0.0 107.005 160.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 39.0 ptt180 -78.69 -176.71 5.03 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 123.302 0.641 . . . . 0.0 110.726 177.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -59.64 118.79 6.52 Favored 'General case' 0 CA--C 1.531 0.24 0 C-N-CA 124.224 1.01 . . . . 0.0 110.998 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -161.41 153.75 20.05 Favored 'General case' 0 CA--C 1.531 0.232 0 C-N-CA 125.096 1.359 . . . . 0.0 110.504 174.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 58.3 mttm -102.53 -92.57 0.33 Allowed 'General case' 0 CA--C 1.538 0.485 0 C-N-CA 124.434 1.094 . . . . 0.0 108.961 -172.485 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.336 -0.011 0 O-C-N 121.302 -0.874 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.095 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -173.33 141.07 0.88 Allowed 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.468 1.507 . . . . 0.0 111.572 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.49 -20.36 0.01 OUTLIER 'General case' 0 CA--C 1.54 0.596 0 C-N-CA 126.041 1.736 . . . . 0.0 112.89 174.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -62.25 -23.02 66.44 Favored 'General case' 0 N--CA 1.47 0.526 0 C-N-CA 125.482 1.513 . . . . 0.0 114.769 -164.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 8.0 p90 -54.68 -43.83 72.82 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 125.486 1.514 . . . . 0.0 112.872 -178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -119.39 -6.85 10.37 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 124.961 1.267 . . . . 0.0 113.231 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -76.43 160.13 29.82 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 124.583 1.153 . . . . 0.0 110.833 172.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -160.86 -166.4 1.59 Allowed 'General case' 0 CA--C 1.546 0.806 0 C-N-CA 123.538 0.735 . . . . 0.0 112.572 -157.406 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.4 m -89.55 -23.46 22.0 Favored 'General case' 0 C--N 1.349 0.547 0 N-CA-C 114.016 1.117 . . . . 0.0 114.016 -175.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 85.53 15.4 66.17 Favored Glycine 0 CA--C 1.532 1.141 0 CA-C-O 117.672 -1.626 . . . . 0.0 116.693 160.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' PHE . . . . . . . . . . . . . 1.6 p90 -126.51 -10.64 6.26 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 119.871 1.836 . . . . 0.0 115.343 -172.455 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -167.87 -49.19 0.02 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 125.72 1.608 . . . . 0.0 107.896 -177.525 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.1 p -63.48 135.72 27.19 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 N-CA-C 108.522 -0.918 . . . . 0.0 108.522 143.372 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -124.31 -177.53 3.82 Favored 'General case' 0 CA--C 1.539 0.544 0 C-N-CA 124.653 1.181 . . . . 0.0 107.894 164.456 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -52.07 134.18 32.63 Favored 'General case' 0 C--N 1.344 0.348 0 C-N-CA 123.104 0.562 . . . . 0.0 110.78 -176.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 67.0 mt-30 -71.52 95.18 1.36 Allowed 'General case' 0 N--CA 1.452 -0.341 0 C-N-CA 125.302 1.441 . . . . 0.0 108.211 -174.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.9 ttpp -156.93 -161.64 1.12 Allowed 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 125.085 1.354 . . . . 0.0 109.03 -156.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 -0.077 0 O-C-N 120.417 -1.427 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 0' ' ' ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.053 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 3.3 t70 72.83 -161.32 0.1 Allowed 'General case' 0 CA--C 1.545 0.772 0 C-N-CA 126.26 1.824 . . . . 0.0 110.152 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -163.76 -12.82 0.03 OUTLIER 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.04 1.336 . . . . 0.0 112.822 174.14 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 31.5 mt-10 -68.99 -8.18 42.43 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.617 1.167 . . . . 0.0 114.015 -173.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 26.1 p90 -62.22 -23.91 66.92 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 123.655 0.782 . . . . 0.0 111.914 168.107 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLY . . . . . . . . . . . . . . . -131.63 24.11 4.16 Favored Glycine 0 CA--C 1.533 1.189 0 C-N-CA 126.165 1.84 . . . . 0.0 112.503 173.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -143.98 137.62 27.85 Favored 'General case' 0 C--N 1.345 0.39 0 CA-C-N 119.594 1.697 . . . . 0.0 110.954 -179.478 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -128.47 -21.93 3.42 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.238 1.015 . . . . 0.0 111.046 157.177 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 93.1 p -162.09 -134.46 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.343 1.057 . . . . 0.0 111.754 -177.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . 109.33 19.82 8.2 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 124.451 1.024 . . . . 0.0 111.802 -160.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -80.49 -124.57 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 124.968 1.307 . . . . 0.0 110.164 171.401 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.89 -31.58 72.81 Favored 'General case' 0 CA--C 1.537 0.452 0 CA-C-N 120.161 1.346 . . . . 0.0 112.781 -176.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 4.8 p -88.05 136.84 22.28 Favored 'Isoleucine or valine' 0 N--CA 1.455 -0.209 0 N-CA-C 108.127 -1.064 . . . . 0.0 108.127 157.691 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ARG . . . . . . . . . . . . . 4.9 mpt_? -81.95 162.14 22.8 Favored 'General case' 0 CA--C 1.538 0.506 0 C-N-CA 124.426 1.09 . . . . 0.0 109.228 175.675 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -45.89 123.72 4.72 Favored 'General case' 0 N--CA 1.47 0.537 0 C-N-CA 124.859 1.264 . . . . 0.0 112.865 -172.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -89.33 -41.18 12.3 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.731 0.812 . . . . 0.0 112.061 -159.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 79.8 tttt -159.02 145.16 16.68 Favored 'General case' 0 C--N 1.344 0.357 0 C-N-CA 124.348 1.059 . . . . 0.0 110.713 177.249 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.335 -0.056 0 O-C-N 122.073 -0.392 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_