data_2khj_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 2khj _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 30.9 t80 . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 115.622 1.712 . . . . 254.42 115.622 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.13 -40.17 60.96 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.929 2.492 . . . . 212.44 114.026 -171.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.29 -42.58 36.41 Favored 'General case' 0 C--N 1.365 1.282 1 C-N-CA 135.09 5.356 . . . . 205.99 114.249 173.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -33.7 76.36 Favored 'General case' 0 N--CA 1.44 -0.947 1 C-N-CA 134.599 5.16 . . . . 104.03 116.866 -172.27 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.05 -31.27 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 128.804 2.842 . . . . 55.88 114.402 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.82 66.42 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.431 3.092 . . . . 50.11 114.709 174.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.78 -39.35 9.48 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 117.532 2.419 . . . . 125.51 117.532 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.24 127.78 46.18 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.067 2.947 . . . . 70.45 113.331 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -106.63 156.73 18.3 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.929 2.492 . . . . 60.0 115.926 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -64.73 146.61 54.52 Favored 'General case' 0 C--N 1.363 1.159 1 C-N-CA 132.703 4.401 . . . . 147.71 115.068 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . 0.482 ' HA2' ' HZ2' ' A' ' 65' ' ' LYS . . . 105.99 -4.23 38.73 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 123.312 1.506 . . . . 37.09 114.465 -174.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.26 171.68 8.77 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 130.923 3.689 . . . . 38.88 108.188 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER -116.71 135.28 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 120.268 -1.52 . . . . 122.0 111.859 -177.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.9 t -135.9 145.57 30.94 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 N-CA-C 103.694 -2.706 . . . . 142.55 103.694 -170.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -97.36 127.82 43.65 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.408 0.683 . . . . 78.3 110.298 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.84 160.62 21.15 Favored Glycine 0 CA--C 1.477 -2.342 0 N-CA-C 110.891 -0.884 . . . . 132.34 110.891 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.272 16.3 pttp -110.9 130.89 55.45 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 117.164 2.283 . . . . 178.17 117.164 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.43 137.1 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.179 0.992 . . . . 110.83 111.827 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' THR . . . . . 0.438 HG21 ' HB2' ' A' ' 30' ' ' GLU . 6.6 t -160.42 -30.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 119.199 -2.188 . . . . 113.29 116.663 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.0 154.16 35.46 Favored 'General case' 0 C--N 1.367 1.326 0 CA-C-N 119.879 1.218 . . . . 71.12 108.323 -171.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.08 146.0 22.09 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 117.695 2.48 . . . . 135.68 117.695 -174.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.308 2.1 m-20 -105.67 169.47 8.45 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 129.025 2.93 . . . . 141.25 105.011 172.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.21 89.63 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 118.853 -2.405 . . . . 271.48 115.255 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -106.97 0.89 24.05 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.646 3.178 . . . . 310.7 111.172 173.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -129.66 169.57 20.77 Favored Glycine 0 CA--C 1.475 -2.437 0 CA-C-O 123.925 1.847 . . . . 87.6 117.443 -156.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.69 131.52 37.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.817 -3.031 . . . . 79.41 102.817 167.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.8 114.87 29.35 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.805 -3.035 . . . . 62.25 102.805 174.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.263 7.9 p -102.72 133.23 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 C-N-CA 126.935 2.094 . . . . 93.73 106.483 -167.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HB2' HG21 ' A' ' 20' ' ' THR 0.28 15.0 tp10 -83.65 122.55 28.76 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 123.5 1.619 . . . . 111.65 112.672 -173.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.328 1.1 tm? -123.04 2.88 9.34 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 112.154 -2.294 . . . . 122.61 111.818 -164.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.275 . . 78.16 155.14 0.15 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 120.856 3.65 . . . . 108.78 120.856 169.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 73.11 23.83 2.6 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.787 2.835 . . . . 249.36 109.542 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.19 -38.6 3.21 Favored Glycine 0 C--N 1.36 1.879 0 C-N-CA 126.001 1.763 . . . . 261.8 114.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.03 146.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 116.875 2.176 . . . . 162.68 116.875 -171.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -106.9 154.66 20.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 128.967 2.907 . . . . 124.5 113.635 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -139.7 8.79 Favored Glycine 0 C--N 1.362 1.991 0 N-CA-C 109.651 -1.379 . . . . 66.69 109.651 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -128.52 138.13 52.11 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.377 -2.249 . . . . 130.64 112.103 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.36 131.21 39.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 120.135 -1.603 . . . . 173.09 107.114 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.442 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 49.4 mtp180 . . . . . 0 C--N 1.356 0.876 0 C-N-CA 128.701 2.8 . . . . 234.38 112.834 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 CA--C 1.505 -0.779 0 CA-C-O 123.675 1.702 . . . . 156.32 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.1 122.5 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 C-N-CA 126.313 1.845 . . . . 268.83 109.958 166.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.9 -3.93 62.81 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 129.111 3.243 . . . . 172.39 114.093 -169.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.7 149.18 29.35 Favored 'General case' 0 C--N 1.368 1.395 0 O-C-N 120.335 -1.685 . . . . 159.43 107.349 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.65 152.25 24.56 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 119.159 3.022 . . . . 194.78 119.159 -170.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.62 160.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 126.768 2.027 . . . . 166.4 107.521 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -95.25 128.88 42.44 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.267 1.827 . . . . 114.41 111.875 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.61 170.3 14.94 Favored 'General case' 0 CA--C 1.478 -1.804 0 N-CA-C 103.06 -2.941 . . . . 105.33 103.06 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.482 ' HZ2' ' HA2' ' A' ' 12' ' ' GLY . 1.5 tmtm? -98.48 141.02 31.86 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 104.906 -2.257 . . . . 93.58 104.906 -170.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.0 102.32 14.09 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 103.735 -2.691 . . . . 129.39 103.735 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -66.64 0.88 Allowed 'General case' 0 C--N 1.372 1.58 0 CA-C-N 113.879 -1.509 . . . . 155.62 114.359 -165.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.5 165.98 38.18 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 125.963 1.744 . . . . 52.87 110.279 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -122.09 142.4 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 C-N-CA 127.644 2.378 . . . . 127.12 108.297 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -94.42 127.88 40.61 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 106.441 -1.689 . . . . 134.55 106.441 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -67.23 -32.15 72.99 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.759 2.423 . . . . 145.62 115.835 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.92 -29.39 44.17 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.584 2.354 . . . . 115.07 113.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -102.68 -13.78 16.95 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 121.529 -0.732 . . . . 103.56 111.809 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 54.99 33.08 19.44 Favored 'General case' 0 C--N 1.37 1.477 1 C-N-CA 131.84 4.056 . . . . 168.39 116.79 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.06 164.49 27.2 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 129.83 3.252 . . . . 71.7 109.547 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.408 HG13 ' HB3' ' A' ' 2' ' ' PHE . 1.2 pp -94.47 140.54 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 1 C-N-CA 135.247 5.419 . . . . 171.51 114.259 -174.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -109.03 123.81 49.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.378 3.071 . . . . 75.12 105.725 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.86 133.54 53.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.63 1.972 . . . . 127.79 108.445 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 t -105.89 123.27 47.7 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.007 -2.59 . . . . 189.29 104.007 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.376 4.4 m -49.19 -16.94 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 1 N-CA-C 126.835 5.865 . . . . 139.9 126.835 -165.284 . . . . . . . . 4 3 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -81.49 -42.35 20.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 121.231 3.789 . . . . 366.01 121.231 -154.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.25 . . 115.78 -73.34 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 129.551 3.141 . . . . 200.7 108.747 -170.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt . . . . . 0 C--N 1.358 0.96 0 O-C-N 120.187 -1.571 . . . . 433.73 114.739 -176.115 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.271 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 112.895 0.702 . . . . 254.42 112.895 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -48.66 -34.28 11.53 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 128.222 2.609 . . . . 212.44 113.485 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.66 -33.16 53.52 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 138.648 6.779 . . . . 205.99 117.903 171.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -33.2 65.16 Favored 'General case' 0 C--N 1.355 0.841 1 C-N-CA 133.685 4.794 . . . . 104.03 114.981 -172.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -30.9 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 131.513 3.925 . . . . 55.88 114.69 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.08 -34.94 49.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.122 2.569 . . . . 50.11 113.451 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.23 -38.47 10.54 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 126.987 2.115 . . . . 125.51 115.414 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.66 127.7 47.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.551 2.34 . . . . 70.45 111.71 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HE3' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -104.13 156.16 18.11 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.361 2.264 . . . . 60.0 114.016 178.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -72.36 145.83 47.49 Favored 'General case' 0 C--N 1.364 1.202 1 C-N-CA 132.053 4.141 . . . . 147.71 114.842 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.25 -4.13 40.82 Favored Glycine 0 C--N 1.367 2.272 0 C-N-CA 125.865 1.698 . . . . 37.09 112.749 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.28 168.66 10.76 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 129.501 3.12 . . . . 38.88 110.514 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mm -109.83 135.33 49.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 125.19 1.396 . . . . 122.0 109.434 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 m -135.89 145.84 30.51 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 104.087 -2.56 . . . . 142.55 104.087 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -101.22 128.42 47.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 121.026 -1.047 . . . . 78.3 110.016 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.13 160.93 25.53 Favored Glycine 0 CA--C 1.478 -2.27 0 C-N-CA 120.224 -0.989 . . . . 132.34 113.245 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HG3' ' HB3' ' A' ' 30' ' ' GLU . 8.8 ptpp? -114.22 139.06 49.7 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 116.836 2.161 . . . . 178.17 116.836 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.13 128.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.834 1.254 . . . . 110.83 114.109 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.8 p -129.36 -47.34 1.19 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.408 2.003 . . . . 113.29 116.408 -174.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.45 150.58 23.53 Favored 'General case' 0 CA--C 1.486 -1.503 0 N-CA-C 102.802 -3.036 . . . . 71.12 102.802 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 20.0 m -119.76 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 116.103 1.89 . . . . 135.68 116.103 -175.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' HA3' ' A' ' 26' ' ' GLY . 3.9 m-20 -105.57 169.79 8.26 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.956 2.502 . . . . 141.25 105.41 173.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.09 64.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.887 2.18 . . . . 271.48 116.887 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -106.9 -0.14 23.45 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.287 2.235 . . . . 310.7 109.516 171.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -112.49 155.76 16.04 Favored Glycine 0 CA--C 1.476 -2.377 0 CA-C-O 123.571 1.65 . . . . 87.6 115.951 -160.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.98 132.15 28.1 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 100.485 -3.895 . . . . 79.41 100.485 168.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -101.76 114.92 29.42 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 102.718 -3.067 . . . . 62.25 102.718 173.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.44 139.32 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.749 -1.204 . . . . 93.73 107.749 -173.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB3' ' HG3' ' A' ' 18' ' ' LYS . 33.1 tt0 -90.72 126.24 35.93 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 124.9 1.28 . . . . 111.65 109.034 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.72 -9.57 18.06 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 127.877 2.471 . . . . 122.61 113.143 -170.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 76.11 151.41 0.12 Allowed 'General case' 0 C--N 1.357 0.902 0 N-CA-C 118.324 2.712 . . . . 108.78 118.324 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 77.52 11.23 2.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.463 1.905 . . . . 249.36 110.46 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.06 19.25 19.79 Favored Glycine 0 C--N 1.364 2.085 0 C-N-CA 125.914 1.721 . . . . 261.8 114.53 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.353 0.6 OUTLIER -109.53 146.02 15.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 120.364 -1.668 . . . . 162.68 111.377 178.255 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.29 154.72 44.56 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 128.414 2.686 . . . . 124.5 108.815 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.87 -152.57 6.11 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 119.295 -1.431 . . . . 66.69 111.252 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -107.29 139.22 42.1 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.52 2.044 . . . . 130.64 116.52 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tt -125.55 119.64 28.69 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.265 -2.865 . . . . 173.09 103.265 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 C--N 1.366 1.319 0 CA-C-N 120.551 1.523 . . . . 234.38 112.933 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.551 0.691 . . . . 156.32 109.476 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.41 125.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.517 2.727 . . . . 268.83 109.161 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.94 82.15 Favored Glycine 0 C--N 1.361 1.949 0 C-N-CA 125.319 1.437 . . . . 172.39 114.06 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.05 135.3 39.24 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 105.32 -2.104 . . . . 159.43 105.32 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.01 150.97 27.75 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 115.158 1.54 . . . . 194.78 115.158 -173.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.53 160.6 27.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 C-N-CA 128.81 2.844 . . . . 166.4 108.174 -177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 124.28 39.15 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.029 2.132 . . . . 114.41 111.87 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.68 168.25 17.47 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 103.88 -2.637 . . . . 105.33 103.88 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -99.86 127.42 46.03 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 106.451 -1.685 . . . . 93.58 106.451 -170.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.86 104.27 16.2 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 104.419 -2.437 . . . . 129.39 104.419 -175.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.254 4.5 t -112.45 -49.42 2.95 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 114.878 1.436 . . . . 155.62 114.878 -162.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.59 156.55 26.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 121.431 -0.793 . . . . 52.87 112.117 -176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.29 0.5 OUTLIER -117.59 142.44 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 127.097 2.159 . . . . 127.12 109.87 177.505 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.87 127.41 38.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.727 -1.583 . . . . 134.55 106.727 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -70.15 -31.71 69.35 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 116.566 2.061 . . . . 145.62 116.566 -173.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -65.13 -41.12 95.13 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.93 2.492 . . . . 115.07 116.158 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.65 -13.13 15.11 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 120.951 -1.093 . . . . 103.56 110.616 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.331 35.4 ttp180 62.22 53.54 2.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 128.497 2.719 . . . . 168.39 115.104 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.09 162.83 29.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 126.609 1.963 . . . . 71.7 108.596 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.351 2.1 pp -96.19 138.44 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 1 C-N-CA 133.063 4.545 . . . . 171.51 118.268 -176.621 . . . . . . . . 3 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -109.31 129.71 55.51 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 130.299 3.44 . . . . 75.12 105.417 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.51 146.7 52.1 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 106.527 -1.657 . . . . 127.79 106.527 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -107.47 136.86 46.54 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 106.419 -1.697 . . . . 189.29 106.419 164.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.31 -17.06 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 2 C-N-CA 133.778 4.831 . . . . 139.9 122.807 -173.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.23 -23.35 38.11 Favored 'General case' 0 CA--C 1.507 -0.699 1 C-N-CA 132.731 4.413 . . . . 366.01 118.987 -156.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.37 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.715 2.406 . . . . 200.7 112.392 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 N--CA 1.449 -0.504 0 C-N-CA 126.471 1.908 . . . . 433.73 108.454 176.225 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.418 ' CG ' HG21 ' A' ' 76' ' ' ILE . 3.5 t80 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 113.61 0.967 . . . . 254.42 113.61 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -50.71 -43.33 57.82 Favored 'General case' 0 CA--C 1.57 1.742 0 C-N-CA 129.342 3.057 . . . . 212.44 113.055 -172.567 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -78.98 -52.47 8.2 Favored 'General case' 0 C--N 1.373 1.598 1 C-N-CA 133.678 4.791 . . . . 205.99 116.493 169.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 77.1 t90 -57.4 -33.82 68.24 Favored 'General case' 0 C--N 1.365 1.244 1 C-N-CA 135.598 5.559 . . . . 104.03 114.581 -175.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 p -49.62 -30.57 5.37 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 130.936 3.694 . . . . 55.88 115.01 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.19 64.52 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.0 2.12 . . . . 50.11 114.097 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.91 -39.84 9.6 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 116.701 2.111 . . . . 125.51 116.701 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 30.8 m120 -126.69 139.81 52.87 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 128.0 2.52 . . . . 70.45 113.552 -172.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 157.08 18.01 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.893 2.477 . . . . 60.0 116.61 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm -68.68 147.49 51.79 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 134.308 5.043 . . . . 147.71 113.392 172.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.07 -4.08 38.46 Favored Glycine 0 C--N 1.361 1.919 0 C-N-CA 126.047 1.784 . . . . 37.09 112.716 -164.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.69 155.48 17.6 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.103 2.961 . . . . 38.88 109.027 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 pt -116.99 134.89 59.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.978 1.711 . . . . 122.0 111.009 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.75 160.76 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.704 0 O-C-N 119.4 -2.063 . . . . 142.55 105.727 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -95.7 127.57 41.84 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.077 0.465 . . . . 78.3 109.788 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.49 167.52 18.89 Favored Glycine 0 CA--C 1.486 -1.724 0 N-CA-C 111.01 -0.836 . . . . 132.34 111.01 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.295 33.6 pttt -110.75 139.17 46.28 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 117.482 2.401 . . . . 178.17 117.482 -171.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.07 130.7 35.62 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 113.526 0.936 . . . . 110.83 113.526 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.9 p -130.53 -41.18 1.22 Allowed 'General case' 0 C--N 1.367 1.367 0 N-CA-C 118.552 2.797 . . . . 113.29 118.552 -174.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.8 11.7 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 104.825 -2.287 . . . . 71.12 104.825 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -117.59 147.48 20.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 117.568 2.433 . . . . 135.68 117.568 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.4 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.255 5.3 m-20 -105.59 170.71 7.73 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 129.1 2.96 . . . . 141.25 106.094 172.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.0 92.77 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 118.922 -2.361 . . . . 271.48 114.756 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -104.18 0.64 29.75 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 131.501 3.92 . . . . 310.7 110.534 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -123.09 150.17 16.83 Favored Glycine 0 C--N 1.366 2.215 0 CA-C-O 124.042 1.912 . . . . 87.6 115.245 -168.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.51 131.5 23.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 100.269 -3.975 . . . . 79.41 100.269 164.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.38 128.89 52.31 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 107.05 -1.463 . . . . 62.25 107.05 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.84 133.1 47.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 105.589 -2.004 . . . . 93.73 105.589 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -94.27 130.27 40.61 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 123.472 1.606 . . . . 111.65 108.506 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.35 -32.81 6.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 112.41 -2.177 . . . . 122.61 107.594 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.268 . . 94.7 161.26 0.02 OUTLIER 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.156 2.982 . . . . 108.78 117.401 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 96.73 5.1 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 130.515 3.526 . . . . 249.36 108.858 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.77 -25.78 16.05 Favored Glycine 0 C--N 1.365 2.174 0 C-N-CA 124.977 1.275 . . . . 261.8 111.284 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.5 137.29 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 127.013 2.125 . . . . 162.68 113.322 -178.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.08 155.49 43.19 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.912 2.885 . . . . 124.5 111.074 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.73 -166.98 14.09 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 109.576 -1.409 . . . . 66.69 109.576 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -115.14 138.07 51.32 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 120.621 2.211 . . . . 130.64 116.119 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.442 0.4 OUTLIER -121.17 124.78 45.55 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 118.865 -2.397 . . . . 173.09 110.453 164.261 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.367 1.367 0 N-CA-C 116.703 2.112 . . . . 234.38 116.703 -175.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 108.386 -0.968 . . . . 156.32 108.386 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.09 124.1 30.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 126.987 2.115 . . . . 268.83 111.3 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 -3.05 55.05 Favored Glycine 0 C--N 1.361 1.936 0 O-C-N 121.211 -0.93 . . . . 172.39 112.794 -172.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -108.92 151.83 25.76 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 107.415 -1.328 . . . . 159.43 107.415 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -107.4 152.94 23.5 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 115.902 1.815 . . . . 194.78 115.902 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.58 158.69 27.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 C-N-CA 127.086 2.154 . . . . 166.4 106.183 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -94.92 130.19 41.64 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.769 2.028 . . . . 114.41 111.154 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.74 166.18 23.54 Favored 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 120.557 -1.34 . . . . 105.33 107.578 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -101.54 126.59 48.37 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 125.865 1.666 . . . . 93.58 110.086 -174.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -96.71 113.11 24.64 Favored 'General case' 0 C--N 1.372 1.544 0 N-CA-C 106.678 -1.601 . . . . 129.39 106.678 -175.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.7 m -153.93 56.78 0.73 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 124.007 1.861 . . . . 155.62 107.935 -172.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.23 149.36 4.97 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 119.749 -1.844 . . . . 52.87 113.472 171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.328 0.1 OUTLIER -127.86 141.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 128.061 2.544 . . . . 127.12 109.615 176.127 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.35 127.99 42.86 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.44 1.896 . . . . 134.55 105.982 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -70.78 -22.79 62.34 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.503 2.038 . . . . 145.62 116.503 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.0 -40.39 65.24 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.221 2.208 . . . . 115.07 115.406 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 -12.85 15.32 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.819 -1.176 . . . . 103.56 110.504 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 62.78 39.86 10.48 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.812 2.445 . . . . 168.39 112.412 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.33 21.29 Favored 'General case' 0 N--CA 1.412 -2.345 0 C-N-CA 129.735 3.214 . . . . 71.7 108.162 -172.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.715 HD11 ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.17 139.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 1 C-N-CA 134.734 5.214 . . . . 171.51 114.795 -167.986 . . . . . . . . 4 4 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -113.14 115.83 28.89 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.542 -3.133 . . . . 75.12 102.542 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.423 HD13 ' HB ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -143.9 145.44 32.29 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 113.109 -1.859 . . . . 127.79 106.436 -173.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -107.13 145.03 32.99 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 125.185 1.394 . . . . 189.29 107.659 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.427 0.0 OUTLIER -49.84 -14.95 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 1 N-CA-C 123.805 4.743 . . . . 139.9 123.805 178.82 . . . . . . . . 4 3 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -81.29 -43.08 19.65 Favored 'General case' 0 N--CA 1.471 0.598 1 N-CA-C 122.021 4.082 . . . . 366.01 122.021 -155.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.293 . . 99.36 -0.68 0.03 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.269 2.628 . . . . 200.7 113.438 -171.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt . . . . . 0 C--N 1.364 1.213 0 O-C-N 120.962 -1.086 . . . . 433.73 109.595 175.289 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.43 ' HB3' HG12 ' A' ' 76' ' ' ILE 0.301 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 113.645 0.979 . . . . 254.42 113.645 . . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -49.51 -30.19 7.99 Favored 'General case' 0 CA--C 1.59 2.482 0 C-N-CA 126.02 1.728 . . . . 212.44 113.576 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -76.59 -50.81 12.91 Favored 'General case' 0 C--N 1.372 1.544 1 C-N-CA 132.878 4.471 . . . . 205.99 113.357 170.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.85 -33.81 69.05 Favored 'General case' 0 C--N 1.363 1.19 1 C-N-CA 133.956 4.903 . . . . 104.03 114.268 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.41 -31.46 8.69 Favored 'Isoleucine or valine' 0 C--N 1.371 1.541 0 C-N-CA 129.763 3.225 . . . . 55.88 116.012 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.38 -25.5 42.15 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.549 1.54 . . . . 50.11 113.47 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.02 -39.56 9.69 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.062 2.145 . . . . 125.51 115.914 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -113.52 148.34 36.24 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 115.033 1.494 . . . . 70.45 115.033 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -106.7 141.24 38.28 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 115.425 1.639 . . . . 60.0 115.425 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -73.09 144.59 46.96 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 128.262 2.625 . . . . 147.71 111.425 169.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.99 -3.92 41.46 Favored Glycine 0 C--N 1.367 2.255 0 CA-C-O 122.506 1.059 . . . . 37.09 112.817 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.93 168.69 9.95 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 129.249 3.02 . . . . 38.88 109.773 -172.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.16 136.28 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 125.965 1.706 . . . . 122.0 111.663 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.32 163.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 N-CA-C 105.757 -1.942 . . . . 142.55 105.757 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.8 m -115.08 130.87 57.04 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.689 -2.337 . . . . 78.3 104.689 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.09 176.14 20.44 Favored Glycine 0 C--N 1.361 1.957 0 C-N-CA 120.145 -1.026 . . . . 132.34 115.042 174.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.259 18.9 ptmt -128.78 145.6 51.14 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 115.047 1.499 . . . . 178.17 115.047 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -78.09 123.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 C-N-CA 123.902 0.881 . . . . 110.83 112.124 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -129.35 -19.27 3.49 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 114.815 1.413 . . . . 113.29 114.815 -170.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.38 153.74 20.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 105.372 -2.085 . . . . 71.12 105.372 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.64 142.89 29.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 N-CA-C 114.16 1.17 . . . . 135.68 114.16 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.284 1.9 m-20 -106.64 169.22 8.66 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.289 2.236 . . . . 141.25 106.757 172.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.66 81.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.691 -1.881 . . . . 271.48 114.908 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -106.7 0.16 24.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.312 2.645 . . . . 310.7 110.202 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -127.97 163.07 21.71 Favored Glycine 0 CA--C 1.481 -2.092 0 CA-C-O 124.467 2.149 . . . . 87.6 116.582 -156.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.95 131.2 24.96 Favored 'General case' 0 N--CA 1.425 -1.689 1 N-CA-C 99.764 -4.161 . . . . 79.41 99.764 166.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -106.72 126.38 52.22 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.795 -2.298 . . . . 62.25 104.795 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -111.34 137.12 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.771 2.028 . . . . 93.73 107.978 -170.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.0 122.89 33.43 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.909 2.084 . . . . 111.65 106.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 mt -109.48 3.98 21.87 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 127.228 2.211 . . . . 122.61 113.878 -168.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.61 163.53 0.27 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.811 2.444 . . . . 108.78 117.535 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 72.32 7.97 5.74 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.81 2.044 . . . . 249.36 111.485 -171.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 13.8 51.68 Favored Glycine 0 C--N 1.365 2.189 0 C-N-CA 127.244 2.354 . . . . 261.8 113.551 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -95.06 145.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.138 0 C-N-CA 127.244 2.218 . . . . 162.68 113.815 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -127.84 154.92 44.9 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 128.536 2.734 . . . . 124.5 112.384 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.02 -151.61 5.97 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 119.488 -1.339 . . . . 66.69 110.808 167.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.34 137.97 44.41 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 118.316 2.709 . . . . 130.64 118.316 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.95 117.41 29.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 104.606 -2.368 . . . . 173.09 104.606 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--N 1.363 1.194 0 N-CA-C 114.87 1.433 . . . . 234.38 114.87 -173.509 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 122.87 1.319 . . . . 156.32 109.739 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.27 75.6 t -74.79 121.41 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 128.39 2.676 . . . . 268.83 109.759 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.13 -2.56 56.61 Favored Glycine 0 C--N 1.36 1.902 0 O-C-N 121.509 -0.744 . . . . 172.39 112.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.54 138.31 33.38 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.747 1.619 . . . . 159.43 108.36 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -89.05 152.79 21.47 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 117.908 2.558 . . . . 194.78 117.908 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.13 162.52 24.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 N-CA-C 105.433 -2.062 . . . . 166.4 105.433 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -124.51 142.85 51.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.73 -1.232 . . . . 114.41 108.723 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.37 169.84 16.91 Favored 'General case' 0 CA--C 1.488 -1.438 0 C-N-CA 117.412 -1.715 . . . . 105.33 109.78 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -100.34 130.34 46.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.659 -1.978 . . . . 93.58 105.659 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.72 104.53 16.56 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.176 -1.787 . . . . 129.39 106.176 -172.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.3 2.5 t -113.1 -37.86 4.64 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 118.916 -1.114 . . . . 155.62 113.781 -166.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.05 179.76 39.45 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 120.234 -0.984 . . . . 52.87 114.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.298 0.2 OUTLIER -124.77 138.92 52.54 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 C-N-CA 126.903 2.081 . . . . 127.12 107.59 175.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -100.98 127.37 47.51 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 104.524 -2.398 . . . . 134.55 104.524 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.04 -16.59 63.18 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.483 1.66 . . . . 145.62 115.483 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.41 -35.67 65.87 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 128.76 2.824 . . . . 115.07 112.861 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.296 76.4 m-20 -101.27 -14.95 17.45 Favored 'General case' 0 C--N 1.362 1.146 0 O-C-N 120.718 -1.239 . . . . 103.56 112.446 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 58.21 32.91 22.61 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.05 2.54 . . . . 168.39 111.921 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 166.62 22.32 Favored 'General case' 0 N--CA 1.42 -1.965 0 C-N-CA 130.577 3.551 . . . . 71.7 111.581 -167.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 2' ' ' PHE . 8.2 pt -93.79 138.8 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 131.693 3.997 . . . . 171.51 114.936 -175.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -113.46 116.14 29.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.744 3.218 . . . . 75.12 103.568 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.43 133.94 37.18 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 102.734 -3.061 . . . . 127.79 102.734 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -107.94 144.3 35.4 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.431 1.492 . . . . 189.29 107.344 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.353 1.5 p -48.32 -14.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 1 N-CA-C 122.336 4.198 . . . . 139.9 122.336 -172.902 . . . . . . . . 3 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.35 -25.14 65.61 Favored 'General case' 0 C--N 1.316 -0.89 2 C-N-CA 134.649 5.18 . . . . 366.01 122.366 -151.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 69.65 -56.82 0.56 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.578 1.951 . . . . 200.7 115.396 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.4 tptt . . . . . 0 C--N 1.349 0.572 0 N-CA-C 107.647 -1.242 . . . . 433.73 107.647 177.632 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.439 ' HB3' HG12 ' A' ' 76' ' ' ILE 0.259 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 N-CA-C 113.842 1.053 . . . . 254.42 113.842 . . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -32.13 8.96 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 126.507 1.923 . . . . 212.44 114.942 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -78.13 -33.28 50.57 Favored 'General case' 0 C--N 1.373 1.601 1 C-N-CA 137.162 6.185 . . . . 205.99 117.779 169.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -33.55 73.7 Favored 'General case' 0 C--N 1.353 0.731 1 C-N-CA 134.055 4.942 . . . . 104.03 115.342 -171.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -32.07 7.8 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 C-N-CA 130.827 3.651 . . . . 55.88 115.019 -174.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.31 64.64 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 129.326 3.05 . . . . 50.11 113.682 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -95.94 -40.5 9.25 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.047 -1.033 . . . . 125.51 113.615 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -128.07 124.63 37.5 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.603 1.961 . . . . 70.45 110.232 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.32 156.64 18.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.631 1.973 . . . . 60.0 115.162 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -56.24 145.25 27.17 Favored 'General case' 0 C--N 1.361 1.089 1 C-N-CA 132.197 4.199 . . . . 147.71 115.746 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 -3.61 39.88 Favored Glycine 0 C--N 1.368 2.319 0 CA-C-O 122.844 1.247 . . . . 37.09 114.349 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.0 173.68 6.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 128.654 2.782 . . . . 38.88 111.142 -169.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.96 134.78 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 O-C-N 120.132 -1.605 . . . . 122.0 108.091 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.32 145.41 32.93 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 N-CA-C 104.064 -2.569 . . . . 142.55 104.064 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -99.63 129.49 45.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.927 0.891 . . . . 78.3 111.362 -173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.31 28.21 Favored Glycine 0 C--N 1.361 1.948 0 C-N-CA 119.534 -1.317 . . . . 132.34 114.85 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 0.0 OUTLIER -123.9 150.87 44.18 Favored 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 115.729 1.751 . . . . 178.17 115.729 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.19 130.02 36.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.485 0 CA-C-N 114.683 -1.144 . . . . 110.83 113.521 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -139.23 -14.46 1.14 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 116.596 2.072 . . . . 113.29 116.596 -174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.34 154.93 10.77 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 120.594 1.543 . . . . 71.12 106.847 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 m -117.21 142.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 120.762 -1.211 . . . . 135.68 113.224 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.458 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.295 1.9 m-20 -106.36 169.6 8.42 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.319 2.247 . . . . 141.25 105.242 171.046 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.7 82.53 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 118.728 -2.483 . . . . 271.48 115.87 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -106.75 0.22 24.01 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.206 3.002 . . . . 310.7 109.296 172.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -118.16 161.46 13.47 Favored Glycine 0 CA--C 1.478 -2.26 0 CA-C-O 124.389 2.105 . . . . 87.6 117.205 -162.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.49 131.58 36.28 Favored 'General case' 0 N--CA 1.422 -1.84 1 N-CA-C 98.573 -4.603 . . . . 79.41 98.573 167.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.99 121.63 43.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.872 -2.27 . . . . 62.25 104.872 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.71 139.51 27.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.023 -1.473 . . . . 93.73 107.023 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -94.59 126.63 40.0 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 107.624 -1.25 . . . . 111.65 107.624 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mt -106.28 -2.04 22.78 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.805 2.042 . . . . 122.61 113.194 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 74.73 162.28 0.25 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 118.487 2.773 . . . . 108.78 118.487 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 70.0 8.21 6.58 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 126.567 1.947 . . . . 249.36 111.908 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 10.57 42.71 Favored Glycine 0 C--N 1.362 1.994 0 C-N-CA 126.237 1.875 . . . . 261.8 113.441 -172.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.49 141.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 CA-C-N 119.983 1.892 . . . . 162.68 112.581 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -127.82 155.2 44.48 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.992 2.517 . . . . 124.5 111.994 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.73 -153.67 6.73 Favored Glycine 0 C--N 1.368 2.352 0 C-N-CA 119.003 -1.57 . . . . 66.69 110.826 169.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.407 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.7 m-85 -106.6 140.08 40.03 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.423 2.379 . . . . 130.64 117.423 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tt -122.6 120.09 32.75 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 103.901 -2.629 . . . . 173.09 103.901 166.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 . . . . . 0 C--N 1.365 1.255 0 O-C-N 119.846 -1.784 . . . . 234.38 115.694 -176.842 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 106.868 -1.53 . . . . 156.32 106.868 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.89 122.75 29.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.975 0 C-N-CA 127.088 2.155 . . . . 268.83 109.703 177.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -3.06 39.96 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.749 0.69 . . . . 172.39 111.774 -168.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.9 149.91 29.21 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 118.484 1.142 . . . . 159.43 109.154 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -92.94 154.79 17.97 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 118.926 2.936 . . . . 194.78 118.926 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 m -134.26 161.99 39.79 Favored 'Isoleucine or valine' 0 C--N 1.372 1.563 0 C-N-CA 126.982 2.113 . . . . 166.4 105.519 172.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.65 119.34 35.2 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 101.714 -3.439 . . . . 114.41 101.714 172.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.08 168.43 16.78 Favored 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 116.276 -2.169 . . . . 105.33 105.669 -166.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -99.36 130.32 45.63 Favored 'General case' 0 CA--C 1.487 -1.468 0 N-CA-C 106.849 -1.537 . . . . 93.58 106.849 -169.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.86 103.74 15.63 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 104.791 -2.3 . . . . 129.39 104.791 -171.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.2 p -98.72 -68.97 0.78 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 115.479 -0.782 . . . . 155.62 110.891 -168.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.93 174.39 37.54 Favored Glycine 0 CA--C 1.494 -1.264 0 CA-C-O 123.275 1.486 . . . . 52.87 115.16 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.66 141.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 129.491 3.116 . . . . 127.12 106.817 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -100.94 127.92 47.2 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 103.394 -2.817 . . . . 134.55 103.394 167.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -49.86 -29.76 8.67 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 129.979 3.312 . . . . 145.62 118.0 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -71.86 -24.33 61.67 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.093 2.957 . . . . 115.07 114.606 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.284 64.8 m-80 -102.76 -14.58 16.58 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 120.523 -1.361 . . . . 103.56 111.315 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 48.58 31.08 2.74 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 132.309 4.244 . . . . 168.39 111.777 -165.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.94 161.87 34.03 Favored 'General case' 0 N--CA 1.419 -2.012 0 C-N-CA 125.764 1.626 . . . . 71.7 111.14 -170.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' HB3' ' A' ' 2' ' ' PHE . 13.8 pt -95.57 139.39 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 1 C-N-CA 135.444 5.497 . . . . 171.51 118.472 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -110.45 133.72 53.01 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 130.576 3.55 . . . . 75.12 106.454 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.407 ' H ' ' HB2' ' A' ' 38' ' ' TYR . 1.5 mt -128.09 145.97 50.84 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.09 -1.448 . . . . 127.79 107.09 175.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 p -106.98 126.97 53.02 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 105.367 -2.086 . . . . 189.29 105.367 167.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 t -47.89 -17.06 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 2 N-CA-C 126.602 5.778 . . . . 139.9 126.602 -162.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -80.47 -43.35 21.0 Favored 'General case' 0 C--N 1.328 -0.361 1 N-CA-C 122.545 4.276 . . . . 366.01 122.545 -154.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.253 . . 98.82 -16.95 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 128.138 2.575 . . . . 200.7 111.122 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt . . . . . 0 C--N 1.354 0.784 0 C-N-CA 124.414 1.086 . . . . 433.73 113.018 -178.606 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.426 ' HB3' HG13 ' A' ' 76' ' ' ILE 0.401 0.0 OUTLIER . . . . . 0 CA--C 1.503 -0.836 0 N-CA-C 113.136 0.791 . . . . 254.42 113.136 . . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -31.59 7.75 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 128.669 2.788 . . . . 212.44 113.086 -170.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -77.94 -50.9 11.29 Favored 'General case' 0 C--N 1.375 1.7 1 C-N-CA 137.419 6.288 . . . . 205.99 116.566 168.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.64 45.24 Favored 'General case' 0 C--N 1.355 0.829 1 C-N-CA 136.259 5.824 . . . . 104.03 117.282 -177.356 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 t -49.95 -30.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 C-N-CA 131.007 3.723 . . . . 55.88 113.767 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.45 77.14 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.2 2.6 . . . . 50.11 114.343 171.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.26 -39.26 9.74 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.645 2.378 . . . . 125.51 116.922 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -112.17 152.56 28.2 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.801 . . . . 70.45 115.325 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -106.84 135.7 47.93 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 117.091 2.256 . . . . 60.0 117.091 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -74.67 145.02 43.51 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.252 3.021 . . . . 147.71 112.927 167.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.05 -4.12 57.28 Favored Glycine 0 C--N 1.372 2.53 0 CA-C-O 122.889 1.272 . . . . 37.09 113.151 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.42 163.66 12.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 129.151 2.98 . . . . 38.88 108.809 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.57 135.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.927 1.691 . . . . 122.0 111.219 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.85 160.14 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.676 0 N-CA-C 105.527 -2.027 . . . . 142.55 105.527 -170.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 t -98.23 127.83 44.37 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.559 1.171 . . . . 78.3 108.583 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.4 166.34 24.19 Favored Glycine 0 CA--C 1.481 -2.088 0 N-CA-C 109.77 -1.332 . . . . 132.34 109.77 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.92 142.43 46.79 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 117.873 2.545 . . . . 178.17 117.873 -174.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 132.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-N 114.487 -1.233 . . . . 110.83 113.601 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.252 3.4 m -142.5 -45.08 0.32 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 118.958 -2.339 . . . . 113.29 116.615 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 149.17 28.23 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.094 -2.558 . . . . 71.12 104.094 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.269 16.0 m -117.71 147.24 21.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 115.179 1.548 . . . . 135.68 115.179 -176.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.438 ' HB2' ' HA3' ' A' ' 26' ' ' GLY . 4.7 m-20 -105.66 168.85 8.83 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.268 2.227 . . . . 141.25 105.629 173.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.15 75.55 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 119.75 -1.844 . . . . 271.48 115.077 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.5 -0.09 24.26 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.4 3.08 . . . . 310.7 110.279 174.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -128.14 160.29 21.92 Favored Glycine 0 CA--C 1.479 -2.171 0 N-CA-C 118.699 2.24 . . . . 87.6 118.699 -156.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.71 25.43 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 101.875 -3.38 . . . . 79.41 101.875 165.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -100.72 125.0 47.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 103.283 -2.858 . . . . 62.25 103.283 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.02 142.32 21.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 125.339 1.456 . . . . 93.73 108.045 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -89.74 127.76 36.0 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.352 1.061 . . . . 111.65 110.006 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.64 0.39 20.63 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 128.095 2.558 . . . . 122.61 111.445 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 66.54 157.34 0.11 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 119.251 3.056 . . . . 108.78 119.251 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.28 12.58 4.82 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.628 1.971 . . . . 249.36 111.604 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.59 23.64 18.13 Favored Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.901 1.715 . . . . 261.8 113.201 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.6 t -104.13 137.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.683 1.593 . . . . 162.68 109.582 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.84 154.41 45.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 126.027 1.731 . . . . 124.5 108.982 174.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.45 -158.98 7.91 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.807 -0.917 . . . . 66.69 110.807 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.515 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.6 m-85 -106.4 139.13 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.884 2.073 . . . . 130.64 113.446 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.273 1.0 OUTLIER -133.85 133.57 41.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 102.56 -3.126 . . . . 173.09 102.56 175.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.514 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 40.0 mtp180 . . . . . 0 C--N 1.35 0.596 0 O-C-N 119.003 -2.311 . . . . 234.38 112.497 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.799 0.809 . . . . 156.32 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 p -57.04 123.32 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 127.258 2.223 . . . . 268.83 111.946 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.55 -3.01 86.51 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 120.711 -1.243 . . . . 172.39 115.68 -167.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -99.94 142.82 30.9 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 105.378 -2.082 . . . . 159.43 105.378 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -100.36 143.98 29.91 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.608 2.818 . . . . 194.78 118.608 -166.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 t -119.06 147.99 22.25 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 127.677 2.391 . . . . 166.4 107.749 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -95.12 119.46 33.67 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 106.545 -1.65 . . . . 114.41 106.545 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.16 160.62 34.25 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 104.697 -2.334 . . . . 105.33 104.697 -169.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HZ3' ' HB2' ' A' ' 65' ' ' LYS . 2.5 ttmp? -100.2 136.24 40.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 125.807 1.643 . . . . 93.58 109.454 -166.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.19 105.15 17.15 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 106.325 -1.731 . . . . 129.39 106.325 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.9 p -92.44 -46.1 7.82 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 114.171 -1.377 . . . . 155.62 113.859 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.17 176.04 47.58 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 110.431 -1.068 . . . . 52.87 110.431 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.269 0.4 OUTLIER -125.15 142.62 41.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 126.96 2.104 . . . . 127.12 107.893 -178.128 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.97 125.52 33.44 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.615 -1.995 . . . . 134.55 105.615 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -70.83 -29.93 66.21 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.941 2.2 . . . . 145.62 116.941 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -71.89 -40.57 68.79 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 127.049 2.14 . . . . 115.07 115.488 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -12.44 15.38 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.198 -0.939 . . . . 103.56 111.192 174.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.357 64.8 mtp85 67.08 54.39 0.75 Allowed 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.575 2.435 . . . . 168.39 117.575 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.95 162.83 30.61 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.338 1.855 . . . . 71.7 108.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.426 HG13 ' HB3' ' A' ' 2' ' ' PHE . 1.3 pp -94.59 138.76 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 1 C-N-CA 132.897 4.479 . . . . 171.51 112.651 -175.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.4 m -113.51 131.1 56.18 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.949 2.9 . . . . 75.12 105.582 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -122.73 146.52 47.42 Favored 'General case' 0 CA--C 1.486 -1.514 0 CA-C-O 123.482 1.611 . . . . 127.79 106.886 175.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.9 m -106.66 136.59 46.19 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 101.652 -3.462 . . . . 189.29 101.652 169.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG1' ' H ' ' A' ' 40' ' ' ARG . 5.4 m -49.29 -16.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 1 N-CA-C 125.83 5.493 . . . . 139.9 125.83 -174.503 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -68.75 -42.79 77.02 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 121.733 3.975 . . . . 366.01 121.733 -146.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 78.64 -58.75 0.43 Allowed 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.551 1.941 . . . . 200.7 110.789 -171.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.348 0.53 0 C-N-CA 130.516 3.527 . . . . 433.73 105.908 172.648 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.413 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 47.3 t80 . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 117.534 2.42 . . . . 254.42 117.534 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.05 22.55 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 127.047 2.139 . . . . 212.44 114.077 -168.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -78.88 -52.48 8.24 Favored 'General case' 0 C--N 1.367 1.337 1 C-N-CA 135.927 5.691 . . . . 205.99 117.27 168.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.355 0.809 1 C-N-CA 134.876 5.27 . . . . 104.03 115.975 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.02 -31.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 130.591 3.556 . . . . 55.88 115.112 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.46 2.704 . . . . 50.11 114.409 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -96.28 -39.12 9.81 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.017 2.228 . . . . 125.51 117.017 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.31 140.98 37.62 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.508 1.923 . . . . 70.45 115.16 -170.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -105.65 154.66 20.13 Favored 'General case' 0 C--N 1.367 1.368 0 N-CA-C 115.854 1.798 . . . . 60.0 115.854 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -73.91 143.97 45.54 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 129.343 3.057 . . . . 147.71 111.518 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.47 -4.51 47.47 Favored Glycine 0 C--N 1.366 2.232 0 CA-C-O 123.906 1.837 . . . . 37.09 112.261 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.06 164.93 12.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 129.581 3.152 . . . . 38.88 107.777 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 pt -114.87 135.43 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.687 0 C-N-CA 124.811 1.244 . . . . 122.0 109.009 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 t -131.53 144.74 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.34 0 N-CA-C 102.27 -3.233 . . . . 142.55 102.27 -171.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -104.74 127.9 52.67 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 122.616 1.198 . . . . 78.3 108.56 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.94 164.58 28.21 Favored Glycine 0 CA--C 1.48 -2.131 0 CA-C-N 114.788 -1.096 . . . . 132.34 112.461 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -109.82 131.64 54.88 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 118.351 2.722 . . . . 178.17 118.351 -167.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.97 128.84 29.6 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 115.648 1.721 . . . . 110.83 115.648 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.258 0.2 OUTLIER -138.65 -42.81 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 1 N-CA-C 122.152 4.13 . . . . 113.29 122.152 -168.473 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.02 154.56 29.79 Favored 'General case' 0 CA--C 1.499 -1.019 0 O-C-N 119.381 -2.074 . . . . 71.12 107.01 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.45 147.2 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 117.97 2.581 . . . . 135.68 117.97 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.481 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.276 24.5 m-20 -105.94 168.79 8.89 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.381 2.672 . . . . 141.25 105.511 172.377 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 116.913 2.19 . . . . 271.48 116.913 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -106.99 0.66 23.86 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 129.223 3.009 . . . . 310.7 110.678 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.481 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -123.93 162.87 17.82 Favored Glycine 0 CA--C 1.467 -2.937 0 N-CA-C 117.751 1.86 . . . . 87.6 117.751 -154.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.18 145.37 35.58 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 124.413 2.054 . . . . 79.41 105.471 168.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -110.41 130.43 55.56 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.573 -1.649 . . . . 62.25 109.02 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.37 132.97 47.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 C-N-CA 126.609 1.964 . . . . 93.73 106.505 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.11 121.24 27.17 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 122.936 1.35 . . . . 111.65 110.139 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.57 -10.24 11.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.441 -1.709 . . . . 122.61 110.024 -171.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.261 . . 85.49 165.79 0.09 Allowed 'General case' 0 C--N 1.364 1.213 0 C-N-CA 129.738 3.215 . . . . 108.78 119.185 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 82.03 8.05 0.93 Allowed 'General case' 0 C--N 1.364 1.228 0 C-N-CA 130.539 3.535 . . . . 249.36 110.806 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.67 -11.77 53.6 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.676 1.608 . . . . 261.8 113.736 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.31 143.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 125.103 1.361 . . . . 162.68 110.927 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.78 154.38 27.49 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.732 1.613 . . . . 124.5 112.097 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.64 -163.72 28.14 Favored Glycine 0 C--N 1.363 2.077 0 C-N-CA 125.176 1.369 . . . . 66.69 110.187 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.92 138.24 42.44 Favored 'General case' 0 C--N 1.364 1.238 0 O-C-N 120.099 -1.824 . . . . 130.64 114.352 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.19 132.23 41.32 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 102.507 -3.146 . . . . 173.09 102.507 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.457 ' H ' HG13 ' A' ' 80' ' ' VAL . 66.4 mtp180 . . . . . 0 C--N 1.348 0.505 0 C-N-CA 127.687 2.395 . . . . 234.38 113.964 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.224 -0.288 0 N-CA-C 115.991 1.849 . . . . 156.32 115.991 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -46.36 123.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 129.057 2.943 . . . . 268.83 115.092 171.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.29 -3.64 64.11 Favored Glycine 0 C--N 1.362 2.006 0 C-N-CA 125.5 1.524 . . . . 172.39 113.531 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.82 130.51 34.66 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.334 1.854 . . . . 159.43 107.568 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -105.18 149.84 25.58 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.785 1.772 . . . . 194.78 115.785 -174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.91 158.81 36.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 127.248 2.219 . . . . 166.4 106.362 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -95.18 122.4 37.82 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.595 1.958 . . . . 114.41 106.563 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.22 169.66 15.09 Favored 'General case' 0 CA--C 1.477 -1.855 0 N-CA-C 102.346 -3.205 . . . . 105.33 102.346 -166.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -99.03 136.35 39.13 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 104.842 -2.281 . . . . 93.58 104.842 -170.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.49 103.72 15.65 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 102.002 -3.332 . . . . 129.39 102.002 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.281 12.9 t -107.39 -55.77 2.3 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 112.829 0.677 . . . . 155.62 112.829 -164.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.9 165.12 29.24 Favored Glycine 0 C--N 1.351 1.368 0 N-CA-C 110.498 -1.041 . . . . 52.87 110.498 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG13 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.5 OUTLIER -124.41 142.29 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.904 0 C-N-CA 126.001 1.72 . . . . 127.12 107.536 178.774 . . . . . . . . 4 4 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -92.37 128.17 38.12 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.709 -1.589 . . . . 134.55 106.709 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.68 -20.59 62.68 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.641 1.576 . . . . 145.62 114.726 -178.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.46 -40.62 70.19 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 127.641 2.376 . . . . 115.07 115.493 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -12.94 15.25 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.349 -1.47 . . . . 103.56 109.919 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 63.32 46.41 4.47 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.109 2.564 . . . . 168.39 111.759 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.97 162.68 31.39 Favored 'General case' 0 N--CA 1.417 -2.121 0 C-N-CA 128.633 2.773 . . . . 71.7 109.19 -170.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.266 8.9 pt -95.23 140.92 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 1 C-N-CA 134.106 4.963 . . . . 171.51 115.874 -173.016 . . . . . . . . 3 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -111.66 130.77 55.66 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 103.333 -2.84 . . . . 75.12 103.333 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 145.1 50.88 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.449 -1.315 . . . . 127.79 107.449 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.1 t -106.62 123.24 47.82 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 103.907 -2.627 . . . . 189.29 103.907 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.457 HG13 ' H ' ' A' ' 40' ' ' ARG 0.379 11.7 m -49.23 -17.64 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 N-CA-C 127.552 6.13 . . . . 139.9 127.552 -167.081 . . . . . . . . 4 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -81.54 -42.31 20.36 Favored 'General case' 0 C--N 1.329 -0.322 1 C-N-CA 133.215 4.606 . . . . 366.01 118.914 -163.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 90.3 11.32 0.06 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.384 3.074 . . . . 200.7 114.746 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 pttm . . . . . 0 C--N 1.356 0.85 0 C-N-CA 126.754 2.022 . . . . 433.73 107.288 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 37.5 t80 . . . . . 0 CA--C 1.469 -2.171 0 N-CA-C 115.52 1.674 . . . . 254.42 115.52 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -50.84 -49.93 57.84 Favored 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 124.479 1.112 . . . . 212.44 113.249 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -80.01 -52.74 7.46 Favored 'General case' 0 C--N 1.378 1.836 1 C-N-CA 131.997 4.119 . . . . 205.99 116.634 163.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -52.63 -32.05 39.85 Favored 'General case' 0 C--N 1.373 1.593 1 C-N-CA 133.269 4.628 . . . . 104.03 116.28 -174.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.89 -31.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 C-N-CA 130.786 3.634 . . . . 55.88 114.189 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.32 -30.62 64.94 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.19 1.796 . . . . 50.11 114.559 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 tp -96.42 -39.78 9.42 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 115.923 1.823 . . . . 125.51 115.923 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -102.41 145.32 29.7 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 120.669 -1.269 . . . . 70.45 114.312 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -106.89 154.6 20.8 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-O 123.674 1.702 . . . . 60.0 115.476 -173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.78 125.5 28.26 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.035 -1.666 . . . . 147.71 109.499 165.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.65 -4.76 39.94 Favored Glycine 0 C--N 1.36 1.889 0 C-N-CA 123.916 0.769 . . . . 37.09 114.14 -162.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.5 161.37 16.26 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.81 1.644 . . . . 38.88 108.627 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.66 135.42 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 119.611 -1.931 . . . . 122.0 111.974 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.41 151.64 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.608 0 O-C-N 119.42 -2.05 . . . . 142.55 106.1 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 p -95.53 127.28 41.43 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.051 0.453 . . . . 78.3 110.049 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.07 151.18 17.07 Favored Glycine 0 CA--C 1.475 -2.466 0 N-CA-C 110.184 -1.166 . . . . 132.34 110.184 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.255 22.7 pttm -110.94 130.06 55.7 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 125.208 1.403 . . . . 178.17 114.161 -175.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.34 128.46 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 115.964 1.838 . . . . 110.83 115.964 -171.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.9 p -129.84 -54.1 1.14 Allowed 'General case' 0 C--N 1.369 1.438 0 N-CA-C 118.265 2.691 . . . . 113.29 118.265 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.72 134.01 36.69 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 104.556 -2.387 . . . . 71.12 104.556 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.23 141.03 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 115.863 1.801 . . . . 135.68 115.863 -169.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.262 1.4 m-20 -105.87 169.32 8.55 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.19 2.596 . . . . 141.25 104.806 170.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.09 70.88 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.348 -2.095 . . . . 271.48 116.555 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -107.45 -0.12 22.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.241 2.616 . . . . 310.7 110.491 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -111.94 145.03 17.81 Favored Glycine 0 CA--C 1.473 -2.538 0 C-N-CA 124.477 1.037 . . . . 87.6 114.218 -162.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.74 136.69 29.17 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.222 -2.14 . . . . 79.41 105.222 165.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 118.61 37.24 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 107.429 -1.323 . . . . 62.25 107.429 172.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.78 144.57 13.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.876 -1.157 . . . . 93.73 107.876 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -87.19 126.19 34.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.256 1.503 . . . . 111.65 111.248 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.95 -31.28 7.2 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 128.935 2.894 . . . . 122.61 109.906 -175.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.263 . . 96.71 163.98 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.738 3.215 . . . . 108.78 116.286 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . 0.257 7.7 t70 84.46 10.7 0.38 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 131.123 3.769 . . . . 249.36 110.67 -173.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.69 -30.82 7.8 Favored Glycine 0 C--N 1.363 2.065 0 C-N-CA 125.676 1.608 . . . . 261.8 113.785 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.74 143.05 12.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 126.699 2.0 . . . . 162.68 111.514 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.67 155.16 29.31 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 128.717 2.807 . . . . 124.5 110.317 -173.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.06 -161.67 12.32 Favored Glycine 0 C--N 1.368 2.34 0 CA-C-N 118.783 0.719 . . . . 66.69 111.366 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . 0.251 0.2 OUTLIER -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 119.141 3.015 . . . . 130.64 119.141 -172.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 80' ' ' VAL . 9.3 tt -130.03 114.63 16.03 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.245 -1.391 . . . . 173.09 107.245 171.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 C--N 1.371 1.521 0 C-N-CA 125.717 1.607 . . . . 234.38 113.738 176.215 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 118.287 2.699 . . . . 156.32 118.287 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.33 128.26 18.72 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 C-N-CA 132.242 4.217 . . . . 268.83 112.658 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.61 83.88 Favored Glycine 0 C--N 1.358 1.78 0 C-N-CA 128.05 2.738 . . . . 172.39 114.521 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -97.12 140.18 32.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.774 1.629 . . . . 159.43 107.667 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.9 150.06 28.25 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.804 2.149 . . . . 194.78 116.804 -173.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.56 156.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 127.001 2.12 . . . . 166.4 107.559 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.83 125.86 39.76 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.175 2.19 . . . . 114.41 112.701 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.9 171.03 14.06 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 105.827 -1.916 . . . . 105.33 105.827 -169.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -99.05 135.76 39.99 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.295 -1.743 . . . . 93.58 106.295 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.7 105.33 17.31 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 105.038 -2.208 . . . . 129.39 105.038 -176.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.3 t -150.04 15.97 0.84 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 116.788 2.144 . . . . 155.62 116.788 -167.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.24 136.28 4.08 Favored Glycine 0 C--N 1.351 1.364 0 N-CA-C 109.948 -1.261 . . . . 52.87 109.948 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 2' ' ' PHE 0.436 0.5 OUTLIER -128.33 143.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 119.902 -1.94 . . . . 127.12 112.388 -179.721 . . . . . . . . 4 4 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -95.13 126.66 40.61 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.944 -1.502 . . . . 134.55 106.944 170.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -70.54 -25.93 63.33 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.526 1.93 . . . . 145.62 114.637 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -81.36 -31.68 33.27 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.222 2.609 . . . . 115.07 113.27 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -99.55 -14.6 18.96 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.894 -1.129 . . . . 103.56 113.391 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 59.96 40.21 19.18 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.511 2.324 . . . . 168.39 112.919 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.31 33.12 Favored 'General case' 0 N--CA 1.419 -1.983 0 C-N-CA 128.825 2.85 . . . . 71.7 111.505 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.438 HG13 ' HB2' ' A' ' 2' ' ' PHE 0.422 1.5 pp -96.9 141.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 1 C-N-CA 137.425 6.29 . . . . 171.51 116.912 179.343 . . . . . . . . 4 3 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.1 m -110.62 136.59 49.48 Favored 'General case' 0 C--O 1.25 1.113 1 C-N-CA 132.659 4.384 . . . . 75.12 104.411 173.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.7 146.93 51.44 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 123.25 1.5 . . . . 127.79 109.436 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 p -106.52 122.21 45.84 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 105.145 -2.168 . . . . 189.29 105.145 169.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' A' ' 39' ' ' LEU 0.428 0.0 OUTLIER -50.09 -17.57 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 2 N-CA-C 126.079 5.585 . . . . 139.9 126.079 -166.001 . . . . . . . . 5 4 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -82.41 -34.39 28.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 131.141 3.776 . . . . 366.01 119.795 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 104.77 -55.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.101 0 C-N-CA 130.092 3.357 . . . . 200.7 107.908 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 102.099 -3.297 . . . . 433.73 102.099 177.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.421 ' HB3' HG13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 N-CA-C 114.537 1.31 . . . . 254.42 114.537 . . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -49.09 -34.24 13.43 Favored 'General case' 0 CA--C 1.59 2.483 0 C-N-CA 127.639 2.376 . . . . 212.44 112.355 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.24 -34.42 55.91 Favored 'General case' 0 C--N 1.371 1.539 1 C-N-CA 137.493 6.317 . . . . 205.99 116.554 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -33.69 65.71 Favored 'General case' 0 C--N 1.35 0.591 1 C-N-CA 133.945 4.898 . . . . 104.03 115.668 -171.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -31.14 9.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 C-N-CA 130.977 3.711 . . . . 55.88 115.009 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.98 64.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 129.141 2.976 . . . . 50.11 113.645 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -95.69 -39.69 9.76 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.966 1.307 . . . . 125.51 113.872 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.06 125.63 41.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 128.227 2.611 . . . . 70.45 110.407 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 142.85 27.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 130.42 3.488 . . . . 60.0 118.039 -175.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.91 143.94 47.53 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.879 3.272 . . . . 147.71 113.256 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.07 52.78 Favored Glycine 0 C--N 1.375 2.74 0 CA-C-O 123.079 1.377 . . . . 37.09 114.417 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.15 -173.41 2.31 Favored 'General case' 0 CA--C 1.497 -1.075 0 C-N-CA 129.845 3.258 . . . . 38.88 109.197 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.41 137.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 128.111 2.564 . . . . 122.0 111.855 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -135.3 145.36 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 103.117 -2.92 . . . . 142.55 103.117 -176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 p -95.65 129.0 42.99 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.003 1.321 . . . . 78.3 109.105 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.25 167.36 29.02 Favored Glycine 0 C--N 1.368 2.323 0 C-N-CA 117.004 -2.522 . . . . 132.34 114.692 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.252 52.1 pttt -120.46 141.62 50.01 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 115.89 1.811 . . . . 178.17 115.89 -178.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.3 127.58 31.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.754 0 N-CA-C 114.119 1.155 . . . . 110.83 114.119 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 t -129.35 -7.49 4.74 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.026 -1.046 . . . . 113.29 113.424 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.75 154.62 5.47 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.049 -2.204 . . . . 71.12 105.049 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -117.05 141.15 36.68 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-O 121.6 0.714 . . . . 135.68 109.403 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.448 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.274 2.6 m-20 -106.18 168.69 8.97 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.094 -1.817 . . . . 141.25 106.094 174.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -39.13 78.7 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 119.571 -1.956 . . . . 271.48 114.983 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -106.43 0.66 24.98 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 128.863 2.865 . . . . 310.7 110.849 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.448 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -127.38 169.52 19.2 Favored Glycine 0 C--N 1.365 2.143 0 N-CA-C 119.5 2.56 . . . . 87.6 119.5 -158.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.06 24.44 Favored 'General case' 0 N--CA 1.427 -1.618 1 N-CA-C 99.606 -4.22 . . . . 79.41 99.606 168.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.92 120.81 42.71 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.145 -2.168 . . . . 62.25 105.145 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.27 139.95 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 C-N-CA 124.919 1.287 . . . . 93.73 111.29 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.33 115.93 29.48 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.613 1.965 . . . . 111.65 107.971 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -27.61 18.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 127.806 2.442 . . . . 122.61 111.854 -174.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.304 . . 89.31 176.07 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.727 2.411 . . . . 108.78 113.511 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.9 t70 73.23 3.79 4.72 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.114 2.166 . . . . 249.36 111.905 -171.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.99 7.79 56.03 Favored Glycine 0 C--N 1.365 2.157 0 C-N-CA 126.996 2.236 . . . . 261.8 113.234 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.287 0.8 OUTLIER -101.97 138.32 26.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 O-C-N 119.84 -1.976 . . . . 162.68 113.494 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.83 154.59 45.28 Favored 'General case' 0 C--N 1.37 1.482 0 O-C-N 120.122 -1.611 . . . . 124.5 110.768 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -160.67 9.67 Favored Glycine 0 C--N 1.37 2.463 0 CA-C-N 119.712 1.142 . . . . 66.69 113.429 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -105.35 139.16 40.41 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 128.252 2.621 . . . . 130.64 113.493 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.62 132.63 44.2 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 104.25 -2.5 . . . . 173.09 104.25 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 . . . . . 0 C--N 1.358 0.964 0 O-C-N 119.155 -2.216 . . . . 234.38 115.019 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 123.382 1.563 . . . . 156.32 111.64 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.44 122.55 29.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 127.694 2.397 . . . . 268.83 106.689 162.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -3.28 40.83 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 120.977 -1.077 . . . . 172.39 112.219 -168.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.73 143.99 34.04 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.076 1.75 . . . . 159.43 106.618 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -112.35 153.93 26.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 117.68 2.474 . . . . 194.78 117.68 -173.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.8 t -140.24 152.87 21.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 103.76 -2.681 . . . . 166.4 103.76 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -95.62 132.06 41.17 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 107.856 -1.164 . . . . 114.41 107.856 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.93 169.31 15.96 Favored 'General case' 0 CA--C 1.475 -1.907 0 O-C-N 119.75 -1.844 . . . . 105.33 106.028 -168.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -99.04 140.66 32.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.424 -2.065 . . . . 93.58 105.424 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.283 0.5 OUTLIER -95.87 102.53 14.33 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.474 -3.158 . . . . 129.39 102.474 -176.318 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.8 p -91.48 -62.15 1.5 Allowed 'General case' 0 C--N 1.384 2.072 0 N-CA-C 116.561 2.06 . . . . 155.62 116.561 -163.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.88 148.32 17.55 Favored Glycine 0 CA--C 1.491 -1.446 0 N-CA-C 106.028 -2.829 . . . . 52.87 106.028 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -122.14 142.16 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.387 -1.338 . . . . 127.12 107.387 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -97.37 128.59 44.32 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 121.229 -0.919 . . . . 134.55 111.111 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.08 -20.19 62.38 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.942 2.097 . . . . 145.62 116.034 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.26 -40.64 23.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.63 1.972 . . . . 115.07 114.594 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -12.49 15.42 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 121.275 -0.89 . . . . 103.56 110.077 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 62.73 49.28 3.83 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.973 2.909 . . . . 168.39 114.942 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 163.02 30.66 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 126.958 2.103 . . . . 71.7 112.029 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.421 HG13 ' HB3' ' A' ' 2' ' ' PHE . 1.3 pp -95.41 137.45 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 1 C-N-CA 132.608 4.363 . . . . 171.51 113.046 177.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -113.99 123.1 48.9 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 129.61 3.164 . . . . 75.12 104.358 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.67 144.71 42.47 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.665 -1.605 . . . . 127.79 106.665 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -107.58 145.43 33.24 Favored 'General case' 0 C--O 1.205 -1.266 0 N-CA-C 103.343 -2.836 . . . . 189.29 103.343 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.289 11.1 m -49.12 -15.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 1 N-CA-C 125.589 5.403 . . . . 139.9 125.589 -177.44 . . . . . . . . 3 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -58.97 -21.75 59.1 Favored 'General case' 0 C--N 1.327 -0.389 2 C-N-CA 132.142 4.177 . . . . 366.01 121.958 -146.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.54 -31.5 0.19 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.813 2.445 . . . . 200.7 115.546 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.5 mttp . . . . . 0 C--N 1.348 0.517 0 C-N-CA 131.451 3.9 . . . . 433.73 101.588 176.286 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.478 ' CG ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.495 -1.136 0 N-CA-C 111.999 0.37 . . . . 254.42 111.999 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -32.62 11.32 Favored 'General case' 0 CA--C 1.592 2.587 0 C-N-CA 128.158 2.583 . . . . 212.44 113.494 -160.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -77.71 -50.32 12.65 Favored 'General case' 0 C--N 1.369 1.45 1 C-N-CA 138.223 6.609 . . . . 205.99 116.456 172.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.493 ' CD1' HG23 ' A' ' 35' ' ' VAL 0.263 0.2 OUTLIER -52.83 -31.87 41.34 Favored 'General case' 0 C--N 1.353 0.742 1 C-N-CA 135.007 5.323 . . . . 104.03 118.959 -177.158 . . . . . . . . 5 4 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.02 -30.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 C-N-CA 130.987 3.715 . . . . 55.88 114.237 -176.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.3 72.48 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 129.748 3.219 . . . . 50.11 115.45 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 tp -96.0 -40.55 9.2 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 119.589 3.181 . . . . 125.51 119.589 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -127.61 158.04 38.59 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 119.724 -1.86 . . . . 70.45 112.534 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.26 147.55 26.92 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.36 1.464 . . . . 60.0 113.49 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -73.36 126.03 29.22 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 119.661 -1.899 . . . . 147.71 110.667 169.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -4.77 41.27 Favored Glycine 0 C--N 1.364 2.092 0 C-N-CA 125.021 1.295 . . . . 37.09 113.223 -164.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.29 164.99 12.07 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 125.608 1.563 . . . . 38.88 108.58 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.25 0.1 OUTLIER -116.75 136.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 127.264 2.225 . . . . 122.0 112.707 -174.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.0 165.76 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.3 0 N-CA-C 104.802 -2.296 . . . . 142.55 104.802 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.8 p -111.55 128.1 55.92 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 120.775 -1.203 . . . . 78.3 108.052 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.83 164.36 17.07 Favored Glycine 0 CA--C 1.483 -1.942 0 C-N-CA 121.114 -0.565 . . . . 132.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.34 135.89 53.53 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.866 2.066 . . . . 178.17 115.248 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.81 131.45 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 117.031 2.234 . . . . 110.83 117.031 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -127.4 -44.64 1.54 Allowed 'General case' 0 C--N 1.368 1.395 0 N-CA-C 118.174 2.657 . . . . 113.29 118.174 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.27 7.81 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.827 -2.286 . . . . 71.12 104.827 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.19 146.98 20.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 116.868 2.173 . . . . 135.68 116.868 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB2' ' HA3' ' A' ' 26' ' ' GLY . 5.7 m-20 -106.06 169.91 8.22 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 128.009 2.524 . . . . 141.25 106.401 176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.56 45.61 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.996 2.221 . . . . 271.48 116.996 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 0.19 23.02 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 128.097 2.559 . . . . 310.7 111.102 169.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.413 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -106.91 151.78 16.88 Favored Glycine 0 C--N 1.368 2.346 0 C-N-CA 126.621 2.058 . . . . 87.6 114.329 -165.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.46 137.61 30.43 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 101.173 -3.639 . . . . 79.41 101.173 167.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.23 55.5 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.845 -1.909 . . . . 62.25 105.845 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.99 137.73 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 106.403 -1.702 . . . . 93.73 106.403 -172.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -92.64 124.76 36.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.301 1.84 . . . . 111.65 107.7 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -103.38 -2.35 27.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 128.812 2.845 . . . . 122.61 115.004 -167.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.266 . . 75.2 140.58 0.07 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 118.917 2.932 . . . . 108.78 118.917 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 90.67 9.54 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 129.582 3.153 . . . . 249.36 108.347 -172.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.92 35.21 6.47 Favored Glycine 0 C--N 1.365 2.19 0 C-N-CA 126.248 1.88 . . . . 261.8 110.996 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 5' ' ' TRP . 21.2 t -110.63 145.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 C-N-CA 128.183 2.593 . . . . 162.68 112.208 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.65 154.95 44.66 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 126.977 2.111 . . . . 124.5 112.236 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.85 -152.35 6.19 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.18 -1.568 . . . . 66.69 109.18 165.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -111.11 138.73 47.17 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 119.165 3.024 . . . . 130.64 119.165 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -114.38 110.02 19.24 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 106.337 -1.727 . . . . 173.09 106.337 168.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--N 1.364 1.225 0 C-N-CA 124.967 1.307 . . . . 234.38 112.568 -177.662 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 106.715 -1.587 . . . . 156.32 106.715 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.51 125.66 17.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.36 2.264 . . . . 268.83 114.873 -175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.19 -3.62 64.34 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 124.778 1.18 . . . . 172.39 113.868 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.43 129.68 34.77 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 126.302 1.841 . . . . 159.43 108.451 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -95.72 153.55 17.68 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 119.527 3.158 . . . . 194.78 119.527 -168.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.7 162.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.155 2.182 . . . . 166.4 107.153 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -94.86 132.77 39.31 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.244 1.818 . . . . 114.41 109.121 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.77 168.93 18.14 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.872 -1.899 . . . . 105.33 105.872 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -101.34 131.25 47.5 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.932 1.693 . . . . 93.58 107.075 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.63 104.93 16.96 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.576 -3.12 . . . . 129.39 102.576 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.1 m -108.92 -50.45 3.01 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 114.42 1.267 . . . . 155.62 114.42 -160.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.86 173.96 41.49 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.369 -0.832 . . . . 52.87 112.305 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.351 0.3 OUTLIER -126.19 141.89 44.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.199 0 C-N-CA 127.224 2.209 . . . . 127.12 110.33 179.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -95.04 128.15 41.65 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.154 -1.054 . . . . 134.55 108.154 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.4 mtt-85 -70.27 -21.85 62.92 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 128.455 2.702 . . . . 145.62 116.573 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.02 -35.66 31.62 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.882 2.073 . . . . 115.07 112.969 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.15 -14.42 15.39 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 121.532 -0.73 . . . . 103.56 112.969 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 54.22 42.1 31.67 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.877 3.271 . . . . 168.39 114.677 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.03 165.65 24.86 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 130.005 3.322 . . . . 71.7 109.442 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.478 HG22 ' CG ' ' A' ' 2' ' ' PHE 0.253 16.8 pt -93.9 139.36 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.81 1 C-N-CA 132.039 4.136 . . . . 171.51 114.353 -176.822 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -110.9 115.81 30.15 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 131.465 3.906 . . . . 75.12 100.991 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 pp -138.39 140.78 39.52 Favored 'General case' 0 CA--C 1.458 -2.563 0 N-CA-C 101.839 -3.393 . . . . 127.79 101.839 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.31 144.55 32.84 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 105.999 -1.852 . . . . 189.29 105.999 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.439 0.0 OUTLIER -51.13 -15.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 1 N-CA-C 123.507 4.632 . . . . 139.9 123.507 178.021 . . . . . . . . 4 3 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.13 -42.38 21.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 131.166 3.786 . . . . 366.01 119.437 -157.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 70.68 -45.47 0.6 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.795 2.438 . . . . 200.7 115.95 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 N--CA 1.447 -0.623 0 C-N-CA 127.372 2.269 . . . . 433.73 108.299 178.837 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 5' ' ' TRP . 35.4 t80 . . . . . 0 CA--C 1.507 -0.696 0 CA-C-O 118.199 -0.905 . . . . 254.42 112.381 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -50.49 -43.61 55.67 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.646 1.578 . . . . 212.44 114.394 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -79.23 -52.76 7.71 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.385 3.474 . . . . 205.99 115.73 164.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . 0.453 ' HB3' ' HA ' ' A' ' 2' ' ' PHE 0.262 60.4 t90 -54.77 -32.93 60.71 Favored 'General case' 0 C--N 1.373 1.6 1 C-N-CA 133.818 4.847 . . . . 104.03 116.228 -176.065 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.21 -30.85 7.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 C-N-CA 131.49 3.916 . . . . 55.88 114.836 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.99 71.69 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 125.954 1.702 . . . . 50.11 113.565 172.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.8 tp -95.64 -40.29 9.48 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 114.24 1.2 . . . . 125.51 114.24 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.23 126.37 42.62 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 125.516 1.526 . . . . 70.45 114.879 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.37 158.19 17.06 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 131.426 3.89 . . . . 60.0 112.178 175.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.13 145.3 7.91 Favored 'General case' 0 C--N 1.366 1.287 1 C-N-CA 132.263 4.225 . . . . 147.71 117.601 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.71 40.32 Favored Glycine 0 C--N 1.371 2.496 0 C-N-CA 125.979 1.752 . . . . 37.09 112.295 -167.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.3 164.86 13.71 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 127.959 2.504 . . . . 38.88 109.086 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.312 2.9 pt -116.6 137.74 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 C-N-CA 126.691 1.996 . . . . 122.0 112.983 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.85 149.89 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.478 0 N-CA-C 104.485 -2.413 . . . . 142.55 104.485 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.2 m -107.17 128.2 54.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 102.631 -3.1 . . . . 78.3 102.631 167.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.14 168.08 30.72 Favored Glycine 0 CA--C 1.479 -2.174 0 C-N-CA 116.621 -2.704 . . . . 132.34 114.409 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -110.06 137.73 47.42 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 117.881 2.548 . . . . 178.17 117.881 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.5 129.05 32.85 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 114.003 -1.453 . . . . 110.83 114.388 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.8 p -133.15 -7.93 3.01 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.105 1.762 . . . . 113.29 112.472 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.66 154.62 22.77 Favored 'General case' 0 C--N 1.364 1.215 0 N-CA-C 104.14 -2.541 . . . . 71.12 104.14 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.61 142.33 32.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.413 1.085 . . . . 135.68 113.906 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.55 166.9 10.22 Favored 'General case' 0 C--N 1.37 1.489 0 N-CA-C 104.621 -2.363 . . . . 141.25 104.621 171.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.98 82.14 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.127 -2.233 . . . . 271.48 114.731 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -106.13 1.61 26.39 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.148 2.979 . . . . 310.7 111.644 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.35 170.93 20.19 Favored Glycine 0 C--N 1.371 2.478 0 C-N-CA 126.009 1.766 . . . . 87.6 117.37 -158.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.33 . . -141.81 137.05 31.23 Favored 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 102.445 -3.169 . . . . 79.41 102.445 168.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -99.89 118.14 35.69 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.307 2.243 . . . . 62.25 104.988 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -102.22 142.31 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 C-N-CA 125.536 1.534 . . . . 93.73 110.567 -168.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -94.85 123.47 38.33 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 122.959 1.361 . . . . 111.65 110.199 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mt -117.23 -19.83 9.47 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 128.279 2.632 . . . . 122.61 109.381 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 81.44 167.2 0.14 Allowed 'General case' 0 C--N 1.371 1.522 0 N-CA-C 118.9 2.926 . . . . 108.78 118.9 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t70 84.53 20.83 0.13 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 130.033 3.333 . . . . 249.36 109.04 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.41 6.47 Favored Glycine 0 C--N 1.371 2.516 0 C-N-CA 125.942 1.734 . . . . 261.8 114.209 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.42 137.17 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 128.195 2.598 . . . . 162.68 113.919 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -127.2 154.64 44.57 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.135 2.574 . . . . 124.5 111.667 -173.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.79 -161.17 10.69 Favored Glycine 0 N--CA 1.486 1.978 0 CA-C-O 118.526 -1.152 . . . . 66.69 115.723 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 18.7 m-85 -106.81 115.42 30.16 Favored 'General case' 0 C--N 1.379 1.854 0 C-N-CA 126.069 1.748 . . . . 130.64 114.896 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 1.9 tm? -138.64 107.64 6.01 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 106.708 -1.59 . . . . 173.09 106.708 170.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.703 0 C-N-CA 128.418 2.687 . . . . 234.38 105.638 160.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 CA--C 1.497 -1.064 0 N-CA-C 106.353 -1.721 . . . . 156.32 106.353 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.65 122.35 29.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 126.566 1.946 . . . . 268.83 107.176 168.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.44 -2.89 42.95 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 121.164 -0.96 . . . . 172.39 112.64 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -102.68 141.5 35.39 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 105.899 -1.889 . . . . 159.43 105.899 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -119.0 133.08 56.05 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.343 1.457 . . . . 194.78 112.96 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . 0.251 5.0 t -140.54 164.83 21.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.209 0 C-N-CA 129.532 3.133 . . . . 166.4 108.2 -174.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -94.3 130.63 40.51 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 128.821 2.849 . . . . 114.41 117.745 -175.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.9 170.37 16.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.578 -1.326 . . . . 105.33 108.287 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -99.93 133.26 44.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 127.569 2.348 . . . . 93.58 108.864 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.81 108.99 21.01 Favored 'General case' 0 C--N 1.366 1.312 0 N-CA-C 105.478 -2.045 . . . . 129.39 105.478 -173.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 t -148.59 5.29 0.7 Allowed 'General case' 0 C--N 1.38 1.914 0 N-CA-C 116.981 2.215 . . . . 155.62 116.981 -161.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 135.68 3.78 Favored Glycine 0 C--N 1.349 1.292 0 N-CA-C 109.496 -1.442 . . . . 52.87 109.496 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.43 HG12 ' CZ ' ' A' ' 2' ' ' PHE 0.341 1.2 m -127.67 142.6 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 120.031 -1.864 . . . . 127.12 109.727 178.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -95.06 126.93 40.73 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.537 -0.912 . . . . 134.55 108.537 175.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -70.56 -17.36 62.92 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.485 1.914 . . . . 145.62 115.834 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -81.35 -34.4 31.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.043 2.537 . . . . 115.07 113.154 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.22 -14.89 15.0 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 120.553 -1.342 . . . . 103.56 112.808 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 56.58 42.65 26.87 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 129.374 3.07 . . . . 168.39 112.615 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.56 162.74 31.1 Favored 'General case' 0 N--CA 1.417 -2.077 0 C-N-CA 128.773 2.829 . . . . 71.7 108.878 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' A' ' 2' ' ' PHE 0.317 0.5 OUTLIER -95.54 141.25 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 1 C-N-CA 134.8 5.24 . . . . 171.51 117.227 -172.834 . . . . . . . . 5 4 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.9 m -113.16 129.55 56.48 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 131.364 3.866 . . . . 75.12 102.695 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -124.76 145.11 49.9 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.33 -1.359 . . . . 127.79 107.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 m -107.12 145.01 33.0 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 104.232 -2.507 . . . . 189.29 104.232 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -47.96 -16.21 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.427 2 N-CA-C 123.269 4.544 . . . . 139.9 123.269 -172.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -62.41 -42.28 99.32 Favored 'General case' 0 C--N 1.319 -0.734 2 C-N-CA 133.175 4.59 . . . . 366.01 122.88 -148.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 72.93 -52.67 0.71 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.202 2.201 . . . . 200.7 113.852 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 pttt . . . . . 0 C--N 1.351 0.673 0 C-N-CA 126.833 2.053 . . . . 433.73 108.947 177.639 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.458 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 121.594 0.711 . . . . 254.42 109.861 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -33.21 14.75 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 129.042 2.937 . . . . 212.44 112.396 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -78.41 -53.04 7.69 Favored 'General case' 0 C--N 1.378 1.813 1 C-N-CA 132.484 4.314 . . . . 205.99 115.417 166.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -33.53 63.86 Favored 'General case' 0 C--N 1.362 1.137 1 C-N-CA 135.028 5.331 . . . . 104.03 116.274 -178.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -49.85 -30.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 1 C-N-CA 131.848 4.059 . . . . 55.88 114.823 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.27 -21.2 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.011 2.524 . . . . 50.11 114.925 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.0 mt -95.48 -39.75 9.82 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 117.076 2.25 . . . . 125.51 117.076 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.78 155.9 43.32 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.086 2.154 . . . . 70.45 115.001 -171.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.414 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -106.17 145.9 30.93 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.508 1.523 . . . . 60.0 113.214 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -72.45 145.73 47.39 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 131.646 3.978 . . . . 147.71 114.747 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.28 -3.85 40.61 Favored Glycine 0 C--N 1.374 2.689 0 C-N-CA 124.833 1.206 . . . . 37.09 113.184 -168.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.97 133.12 42.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 130.048 3.339 . . . . 38.88 105.792 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mm -89.72 133.92 30.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 125.573 1.549 . . . . 122.0 109.427 -172.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.01 149.79 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.404 0 N-CA-C 102.593 -3.114 . . . . 142.55 102.593 -168.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.32 9.0 t -110.05 129.89 55.62 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 123.175 1.464 . . . . 78.3 111.609 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.5 170.54 18.3 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 114.043 -1.435 . . . . 132.34 112.343 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 22.0 pttm -110.7 144.32 39.82 Favored 'General case' 0 CA--C 1.479 -1.779 0 N-CA-C 114.573 1.323 . . . . 178.17 114.573 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.274 21.5 t -84.68 124.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 124.445 1.098 . . . . 110.83 110.946 -177.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.6 p -119.0 -35.48 3.63 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 116.987 2.217 . . . . 113.29 116.987 -166.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.17 148.86 4.95 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 103.289 -2.856 . . . . 71.12 103.289 -173.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.4 m -117.36 146.78 21.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 114.964 1.468 . . . . 135.68 114.964 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . 0.435 ' HB2' ' HA3' ' A' ' 26' ' ' GLY . 4.1 m-20 -105.82 169.21 8.61 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.908 2.083 . . . . 141.25 107.318 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.05 65.47 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.048 2.139 . . . . 271.48 115.8 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -106.7 0.05 23.98 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 128.282 2.633 . . . . 310.7 110.887 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -122.72 162.87 16.34 Favored Glycine 0 CA--C 1.476 -2.355 0 CA-C-O 124.349 2.083 . . . . 87.6 117.766 -154.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.34 131.96 25.54 Favored 'General case' 0 N--CA 1.424 -1.736 1 N-CA-C 98.385 -4.672 . . . . 79.41 98.385 170.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.72 129.07 54.67 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 104.082 -2.562 . . . . 62.25 104.082 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -114.23 144.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 C-N-CA 125.591 1.556 . . . . 93.73 108.473 -171.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -103.92 118.03 35.72 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.471 1.509 . . . . 111.65 108.373 173.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.29 -20.58 28.18 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 128.626 2.77 . . . . 122.61 112.0 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 80.03 165.54 0.18 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.659 1.984 . . . . 108.78 115.364 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 73.92 7.0 4.89 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.961 2.104 . . . . 249.36 111.322 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.66 20.32 Favored Glycine 0 C--N 1.366 2.202 0 C-N-CA 126.943 2.211 . . . . 261.8 114.181 -174.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -103.34 134.08 45.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.663 1.585 . . . . 162.68 113.149 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -127.71 154.3 45.5 Favored 'General case' 0 C--N 1.372 1.558 0 O-C-N 119.762 -1.836 . . . . 124.5 111.075 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . 0.445 ' HA3' HD12 ' A' ' 78' ' ' LEU . . . -160.83 -154.26 7.32 Favored Glycine 0 C--N 1.367 2.29 0 N-CA-C 108.158 -1.977 . . . . 66.69 108.158 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.66 139.06 41.7 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 118.958 2.948 . . . . 130.64 118.958 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.89 127.31 46.91 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 120.02 -1.675 . . . . 173.09 108.88 172.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ARG . . . . . 0.41 ' H ' ' CG2' ' A' ' 80' ' ' VAL . 3.7 mpt_? . . . . . 0 C--N 1.365 1.279 0 O-C-N 119.545 -1.972 . . . . 234.38 112.712 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 CA--C 1.506 -0.735 0 CA-C-O 121.747 0.784 . . . . 156.32 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.61 121.66 26.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 120.737 -1.227 . . . . 268.83 108.828 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.64 40.3 Favored Glycine 0 C--N 1.361 1.966 0 O-C-N 121.408 -0.808 . . . . 172.39 113.132 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -95.74 133.28 40.03 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.359 1.464 . . . . 159.43 108.671 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -96.25 148.96 22.19 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.512 2.041 . . . . 194.78 116.512 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.37 158.39 28.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.058 -1.46 . . . . 166.4 107.058 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -105.06 127.95 53.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.142 1.777 . . . . 114.41 108.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.84 168.15 20.28 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 119.81 -1.806 . . . . 105.33 108.418 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -100.92 117.43 34.97 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 107.461 -1.311 . . . . 93.58 107.461 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.19 104.8 16.85 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 104.902 -2.258 . . . . 129.39 104.902 -170.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.17 -45.45 1.24 Allowed 'General case' 0 C--N 1.381 1.956 0 N-CA-C 117.375 2.361 . . . . 155.62 117.375 -161.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.44 162.99 24.09 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 119.48 1.036 . . . . 52.87 112.657 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.259 0.2 OUTLIER -127.45 141.8 45.36 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 C-N-CA 127.559 2.344 . . . . 127.12 106.644 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.19 126.94 35.69 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.327 -2.101 . . . . 134.55 105.327 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -70.04 -16.65 63.18 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.265 1.826 . . . . 145.62 115.859 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.214 2.206 . . . . 115.07 112.782 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.25 -14.63 15.3 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 121.257 -0.902 . . . . 103.56 112.326 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 54.45 42.44 31.37 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.566 3.547 . . . . 168.39 114.215 -173.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.51 163.87 28.43 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.385 2.274 . . . . 71.7 105.568 -173.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.16 138.45 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 C-N-CA 131.878 4.071 . . . . 171.51 114.755 -169.377 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -113.51 116.84 30.2 Favored 'General case' 0 N--CA 1.434 -1.243 1 C-N-CA 133.483 4.713 . . . . 75.12 103.424 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . 0.445 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -144.53 134.06 23.36 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 103.562 -2.755 . . . . 127.79 103.562 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 m -107.62 145.21 33.59 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 106.869 -1.53 . . . . 189.29 106.869 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.41 ' CG2' ' H ' ' A' ' 40' ' ' ARG 0.388 0.2 OUTLIER -48.91 -14.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 1 N-CA-C 123.42 4.6 . . . . 139.9 123.42 -176.987 . . . . . . . . 5 4 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -80.75 -23.47 39.37 Favored 'General case' 0 C--N 1.323 -0.58 1 N-CA-C 123.001 4.445 . . . . 366.01 123.001 -150.657 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 71.08 -55.33 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 117.83 2.53 . . . . 200.7 117.83 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--N 1.355 0.813 0 O-C-N 120.5 -1.375 . . . . 433.73 110.295 -177.952 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.82 0.819 . . . . 107.41 110.835 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.423 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 30.9 t80 -55.09 -35.26 64.4 Favored 'General case' 0 N--CA 1.437 -1.082 1 C-N-CA 134.208 5.003 . . . . 254.42 115.622 173.753 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.13 -40.17 60.96 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.929 2.492 . . . . 212.44 114.026 -171.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.29 -42.58 36.41 Favored 'General case' 0 C--N 1.365 1.282 1 C-N-CA 135.09 5.356 . . . . 205.99 114.249 173.252 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -33.7 76.36 Favored 'General case' 0 N--CA 1.44 -0.947 1 C-N-CA 134.599 5.16 . . . . 104.03 116.866 -172.27 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -49.05 -31.27 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 128.804 2.842 . . . . 55.88 114.402 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.82 66.42 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.431 3.092 . . . . 50.11 114.709 174.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.78 -39.35 9.48 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 117.532 2.419 . . . . 125.51 117.532 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.24 127.78 46.18 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.067 2.947 . . . . 70.45 113.331 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -106.63 156.73 18.3 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.929 2.492 . . . . 60.0 115.926 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -64.73 146.61 54.52 Favored 'General case' 0 C--N 1.363 1.159 1 C-N-CA 132.703 4.401 . . . . 147.71 115.068 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . 0.482 ' HA2' ' HZ2' ' A' ' 65' ' ' LYS . . . 105.99 -4.23 38.73 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 123.312 1.506 . . . . 37.09 114.465 -174.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.26 171.68 8.77 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 130.923 3.689 . . . . 38.88 108.188 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER -116.71 135.28 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 120.268 -1.52 . . . . 122.0 111.859 -177.737 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.9 t -135.9 145.57 30.94 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 N-CA-C 103.694 -2.706 . . . . 142.55 103.694 -170.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -97.36 127.82 43.65 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.408 0.683 . . . . 78.3 110.298 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.84 160.62 21.15 Favored Glycine 0 CA--C 1.477 -2.342 0 N-CA-C 110.891 -0.884 . . . . 132.34 110.891 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.272 16.3 pttp -110.9 130.89 55.45 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 117.164 2.283 . . . . 178.17 117.164 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.43 137.1 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.179 0.992 . . . . 110.83 111.827 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' THR . . . . . 0.438 HG21 ' HB2' ' A' ' 30' ' ' GLU . 6.6 t -160.42 -30.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 119.199 -2.188 . . . . 113.29 116.663 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.0 154.16 35.46 Favored 'General case' 0 C--N 1.367 1.326 0 CA-C-N 119.879 1.218 . . . . 71.12 108.323 -171.439 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.08 146.0 22.09 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 117.695 2.48 . . . . 135.68 117.695 -174.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.472 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.308 2.1 m-20 -105.67 169.47 8.45 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 129.025 2.93 . . . . 141.25 105.011 172.155 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.21 89.63 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 118.853 -2.405 . . . . 271.48 115.255 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -106.97 0.89 24.05 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.646 3.178 . . . . 310.7 111.172 173.462 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.472 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -129.66 169.57 20.77 Favored Glycine 0 CA--C 1.475 -2.437 0 CA-C-O 123.925 1.847 . . . . 87.6 117.443 -156.046 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.69 131.52 37.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.817 -3.031 . . . . 79.41 102.817 167.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.8 114.87 29.35 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.805 -3.035 . . . . 62.25 102.805 174.145 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.263 7.9 p -102.72 133.23 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 C-N-CA 126.935 2.094 . . . . 93.73 106.483 -167.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.438 ' HB2' HG21 ' A' ' 20' ' ' THR 0.28 15.0 tp10 -83.65 122.55 28.76 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 123.5 1.619 . . . . 111.65 112.672 -173.578 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.328 1.1 tm? -123.04 2.88 9.34 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 112.154 -2.294 . . . . 122.61 111.818 -164.016 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.275 . . 78.16 155.14 0.15 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 120.856 3.65 . . . . 108.78 120.856 169.491 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 73.11 23.83 2.6 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.787 2.835 . . . . 249.36 109.542 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.19 -38.6 3.21 Favored Glycine 0 C--N 1.36 1.879 0 C-N-CA 126.001 1.763 . . . . 261.8 114.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.03 146.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 116.875 2.176 . . . . 162.68 116.875 -171.221 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -106.9 154.66 20.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 128.967 2.907 . . . . 124.5 113.635 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -139.7 8.79 Favored Glycine 0 C--N 1.362 1.991 0 N-CA-C 109.651 -1.379 . . . . 66.69 109.651 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -128.52 138.13 52.11 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.377 -2.249 . . . . 130.64 112.103 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.36 131.21 39.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 120.135 -1.603 . . . . 173.09 107.114 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.442 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 49.4 mtp180 -80.58 156.43 26.45 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 128.701 2.8 . . . . 234.38 112.834 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.12 -25.41 8.82 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 129.723 3.209 . . . . 67.0 118.265 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -67.92 -18.79 64.88 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 129.282 3.033 . . . . 92.06 114.625 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . 0.268 47.0 mm-40 73.0 -53.08 0.71 Allowed 'General case' 0 C--N 1.368 1.375 0 C-N-CA 128.125 2.57 . . . . 241.64 115.956 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 176.38 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.243 2.617 . . . . 115.06 108.39 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.272 68.1 p 89.44 -112.72 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 127.078 2.151 . . . . 89.7 108.53 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 173.13 -35.98 0.0 OUTLIER 'General case' 0 C--N 1.351 0.635 0 C-N-CA 129.788 3.235 . . . . 131.17 106.682 -176.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.89 -80.83 0.38 Allowed 'General case' 0 C--N 1.36 1.051 0 O-C-N 121.108 -0.995 . . . . 115.97 111.022 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -154.15 159.14 41.3 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.607 -1.308 . . . . 295.16 108.234 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.507 HG23 ' H ' ' A' ' 50' ' ' GLU 0.427 17.0 m 65.75 -106.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.254 1 C-N-CA 133.113 4.565 . . . . 224.7 111.343 -177.645 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.507 ' H ' HG23 ' A' ' 49' ' ' VAL . 11.5 mp0 -117.25 128.44 55.08 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 106.637 -1.616 . . . . 111.84 106.637 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.439 36.9 m-20 -122.4 -112.6 0.32 Allowed 'General case' 0 CA--C 1.489 -1.395 1 N-CA-C 99.901 -4.111 . . . . 210.5 99.901 163.833 . . . . . . . . 3 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.43 -12.22 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.007 2.523 . . . . 72.77 117.649 165.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -60.53 -26.07 66.6 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 130.044 3.338 . . . . 87.74 114.12 -174.191 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.14 -20.67 40.85 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.681 1.992 . . . . 161.64 115.047 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.405 4.9 p -120.95 17.64 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.502 0 C-N-CA 125.743 1.617 . . . . 155.98 114.765 -172.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -133.08 132.71 42.05 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.868 -3.012 . . . . 155.03 102.868 162.033 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -111.9 164.37 13.17 Favored 'General case' 0 CA--C 1.505 -0.779 1 C-N-CA 134.638 5.175 . . . . 156.32 112.476 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.1 122.5 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 C-N-CA 126.313 1.845 . . . . 268.83 109.958 166.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.9 -3.93 62.81 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 129.111 3.243 . . . . 172.39 114.093 -169.355 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.7 149.18 29.35 Favored 'General case' 0 C--N 1.368 1.395 0 O-C-N 120.335 -1.685 . . . . 159.43 107.349 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.65 152.25 24.56 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 119.159 3.022 . . . . 194.78 119.159 -170.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.62 160.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 126.768 2.027 . . . . 166.4 107.521 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -95.25 128.88 42.44 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.267 1.827 . . . . 114.41 111.875 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.61 170.3 14.94 Favored 'General case' 0 CA--C 1.478 -1.804 0 N-CA-C 103.06 -2.941 . . . . 105.33 103.06 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.482 ' HZ2' ' HA2' ' A' ' 12' ' ' GLY . 1.5 tmtm? -98.48 141.02 31.86 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 104.906 -2.257 . . . . 93.58 104.906 -170.38 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.0 102.32 14.09 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 103.735 -2.691 . . . . 129.39 103.735 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -66.64 0.88 Allowed 'General case' 0 C--N 1.372 1.58 0 CA-C-N 113.879 -1.509 . . . . 155.62 114.359 -165.616 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.5 165.98 38.18 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 125.963 1.744 . . . . 52.87 110.279 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.423 HG13 ' CZ ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -122.09 142.4 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 C-N-CA 127.644 2.378 . . . . 127.12 108.297 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -94.42 127.88 40.61 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 106.441 -1.689 . . . . 134.55 106.441 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -67.23 -32.15 72.99 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.759 2.423 . . . . 145.62 115.835 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.92 -29.39 44.17 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.584 2.354 . . . . 115.07 113.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -102.68 -13.78 16.95 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 121.529 -0.732 . . . . 103.56 111.809 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 54.99 33.08 19.44 Favored 'General case' 0 C--N 1.37 1.477 1 C-N-CA 131.84 4.056 . . . . 168.39 116.79 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.06 164.49 27.2 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 129.83 3.252 . . . . 71.7 109.547 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.408 HG13 ' HB3' ' A' ' 2' ' ' PHE . 1.2 pp -94.47 140.54 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 1 C-N-CA 135.247 5.419 . . . . 171.51 114.259 -174.536 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -109.03 123.81 49.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.378 3.071 . . . . 75.12 105.725 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.86 133.54 53.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.63 1.972 . . . . 127.79 108.445 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 t -105.89 123.27 47.7 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.007 -2.59 . . . . 189.29 104.007 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.442 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.376 4.4 m -49.19 -16.94 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 1 N-CA-C 126.835 5.865 . . . . 139.9 126.835 -165.284 . . . . . . . . 4 3 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -81.49 -42.35 20.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 121.231 3.789 . . . . 366.01 121.231 -154.161 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.25 . . 115.78 -73.34 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 129.551 3.141 . . . . 200.7 108.747 -170.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -93.58 -48.99 6.1 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 120.187 -1.571 . . . . 433.73 114.739 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.7 t70 73.7 -71.6 0.13 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.841 2.057 . . . . 485.87 113.953 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -88.68 56.4 3.75 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 126.401 1.88 . . . . 128.36 112.592 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -152.31 59.88 0.83 Allowed 'General case' 0 C--N 1.352 0.69 0 N-CA-C 107.715 -1.217 . . . . 324.71 107.715 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -123.32 -13.89 7.56 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.448 1.499 . . . . 295.51 113.408 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 169.86 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.727 -1.953 . . . . 223.82 105.727 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm . . . . . 0 C--O 1.261 1.707 0 C-N-CA 129.177 2.991 . . . . 123.21 110.759 -178.412 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.42 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 9.9 ptm . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.499 0.666 . . . . 107.41 109.423 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.271 0.0 OUTLIER -51.9 -28.67 17.07 Favored 'General case' 0 C--N 1.357 0.923 1 C-N-CA 132.448 4.299 . . . . 254.42 112.895 168.79 . . . . . . . . 4 3 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -48.66 -34.28 11.53 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 128.222 2.609 . . . . 212.44 113.485 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.66 -33.16 53.52 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 138.648 6.779 . . . . 205.99 117.903 171.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -73.25 -33.2 65.16 Favored 'General case' 0 C--N 1.355 0.841 1 C-N-CA 133.685 4.794 . . . . 104.03 114.981 -172.316 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -49.78 -30.9 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 131.513 3.925 . . . . 55.88 114.69 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.08 -34.94 49.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.122 2.569 . . . . 50.11 113.451 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.23 -38.47 10.54 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 126.987 2.115 . . . . 125.51 115.414 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.66 127.7 47.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.551 2.34 . . . . 70.45 111.71 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.465 ' HE3' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -104.13 156.16 18.11 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.361 2.264 . . . . 60.0 114.016 178.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -72.36 145.83 47.49 Favored 'General case' 0 C--N 1.364 1.202 1 C-N-CA 132.053 4.141 . . . . 147.71 114.842 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.25 -4.13 40.82 Favored Glycine 0 C--N 1.367 2.272 0 C-N-CA 125.865 1.698 . . . . 37.09 112.749 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.28 168.66 10.76 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 129.501 3.12 . . . . 38.88 110.514 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mm -109.83 135.33 49.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 125.19 1.396 . . . . 122.0 109.434 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 m -135.89 145.84 30.51 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 104.087 -2.56 . . . . 142.55 104.087 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -101.22 128.42 47.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 121.026 -1.047 . . . . 78.3 110.016 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.13 160.93 25.53 Favored Glycine 0 CA--C 1.478 -2.27 0 C-N-CA 120.224 -0.989 . . . . 132.34 113.245 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . 0.41 ' HG3' ' HB3' ' A' ' 30' ' ' GLU . 8.8 ptpp? -114.22 139.06 49.7 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 116.836 2.161 . . . . 178.17 116.836 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.13 128.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.834 1.254 . . . . 110.83 114.109 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.8 p -129.36 -47.34 1.19 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.408 2.003 . . . . 113.29 116.408 -174.546 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.45 150.58 23.53 Favored 'General case' 0 CA--C 1.486 -1.503 0 N-CA-C 102.802 -3.036 . . . . 71.12 102.802 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 20.0 m -119.76 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 116.103 1.89 . . . . 135.68 116.103 -175.756 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.42 ' HB2' ' HA3' ' A' ' 26' ' ' GLY . 3.9 m-20 -105.57 169.79 8.26 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.956 2.502 . . . . 141.25 105.41 173.12 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.09 64.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.887 2.18 . . . . 271.48 116.887 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -106.9 -0.14 23.45 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.287 2.235 . . . . 310.7 109.516 171.039 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.42 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -112.49 155.76 16.04 Favored Glycine 0 CA--C 1.476 -2.377 0 CA-C-O 123.571 1.65 . . . . 87.6 115.951 -160.47 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -139.98 132.15 28.1 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 100.485 -3.895 . . . . 79.41 100.485 168.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -101.76 114.92 29.42 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 102.718 -3.067 . . . . 62.25 102.718 173.331 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.44 139.32 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.749 -1.204 . . . . 93.73 107.749 -173.731 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . 0.41 ' HB3' ' HG3' ' A' ' 18' ' ' LYS . 33.1 tt0 -90.72 126.24 35.93 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 124.9 1.28 . . . . 111.65 109.034 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.72 -9.57 18.06 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 127.877 2.471 . . . . 122.61 113.143 -170.088 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 76.11 151.41 0.12 Allowed 'General case' 0 C--N 1.357 0.902 0 N-CA-C 118.324 2.712 . . . . 108.78 118.324 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 77.52 11.23 2.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.463 1.905 . . . . 249.36 110.46 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.06 19.25 19.79 Favored Glycine 0 C--N 1.364 2.085 0 C-N-CA 125.914 1.721 . . . . 261.8 114.53 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.353 0.6 OUTLIER -109.53 146.02 15.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 120.364 -1.668 . . . . 162.68 111.377 178.255 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.29 154.72 44.56 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 128.414 2.686 . . . . 124.5 108.815 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.87 -152.57 6.11 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 119.295 -1.431 . . . . 66.69 111.252 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -107.29 139.22 42.1 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.52 2.044 . . . . 130.64 116.52 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.2 tt -125.55 119.64 28.69 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.265 -2.865 . . . . 173.09 103.265 168.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -81.06 135.27 35.8 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 120.551 1.523 . . . . 234.38 112.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.24 75.6 Favored 'General case' 0 C--N 1.374 1.664 0 C-N-CA 125.672 1.589 . . . . 67.0 113.92 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 m -59.73 -18.77 45.44 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.777 2.831 . . . . 92.06 116.712 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -108.98 28.56 8.35 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 126.631 1.973 . . . . 241.64 110.56 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.81 -62.18 0.09 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.716 -1.24 . . . . 115.06 109.261 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.8 p -114.61 -45.05 3.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.428 1.491 . . . . 89.7 114.038 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 17.3 tpt180 94.95 178.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 C-N-CA 130.581 3.553 . . . . 131.17 106.595 -167.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -123.04 1.82 9.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.468 1.507 . . . . 115.97 109.945 177.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -128.61 4.03 5.55 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 125.86 1.664 . . . . 295.16 111.861 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.443 HG21 ' H ' ' A' ' 50' ' ' GLU . 9.9 p -165.42 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.915 0 N-CA-C 103.742 -2.688 . . . . 224.7 103.742 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' H ' HG21 ' A' ' 49' ' ' VAL . 54.5 mt-10 -111.29 131.19 55.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 129.79 3.236 . . . . 111.84 107.069 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.273 48.4 m-20 -118.9 -113.85 0.33 Allowed 'General case' 0 CA--C 1.49 -1.339 1 N-CA-C 99.783 -4.154 . . . . 210.5 99.783 173.548 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.381 . . -55.92 -9.57 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 118.668 2.84 . . . . 72.77 118.668 168.039 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.06 67.27 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 123.386 2.812 . . . . 87.74 116.604 -164.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -80.39 -20.67 43.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 126.963 2.105 . . . . 161.64 113.255 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.351 2.6 m -109.44 17.55 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.815 0 C-N-CA 127.092 2.157 . . . . 155.98 113.297 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.4 131.45 43.63 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 100.637 -3.838 . . . . 155.03 100.637 168.562 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -112.46 160.85 17.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 111.119 -2.764 . . . . 156.32 109.476 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.41 125.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.517 2.727 . . . . 268.83 109.161 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.94 82.15 Favored Glycine 0 C--N 1.361 1.949 0 C-N-CA 125.319 1.437 . . . . 172.39 114.06 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.05 135.3 39.24 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 105.32 -2.104 . . . . 159.43 105.32 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.01 150.97 27.75 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 115.158 1.54 . . . . 194.78 115.158 -173.086 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.53 160.6 27.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 C-N-CA 128.81 2.844 . . . . 166.4 108.174 -177.512 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 124.28 39.15 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.029 2.132 . . . . 114.41 111.87 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.68 168.25 17.47 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 103.88 -2.637 . . . . 105.33 103.88 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -99.86 127.42 46.03 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 106.451 -1.685 . . . . 93.58 106.451 -170.266 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.86 104.27 16.2 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 104.419 -2.437 . . . . 129.39 104.419 -175.125 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.254 4.5 t -112.45 -49.42 2.95 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 114.878 1.436 . . . . 155.62 114.878 -162.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.59 156.55 26.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 121.431 -0.793 . . . . 52.87 112.117 -176.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.29 0.5 OUTLIER -117.59 142.44 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 127.097 2.159 . . . . 127.12 109.87 177.505 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.87 127.41 38.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.727 -1.583 . . . . 134.55 106.727 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -70.15 -31.71 69.35 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 116.566 2.061 . . . . 145.62 116.566 -173.234 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -65.13 -41.12 95.13 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.93 2.492 . . . . 115.07 116.158 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.65 -13.13 15.11 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 120.951 -1.093 . . . . 103.56 110.616 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.331 35.4 ttp180 62.22 53.54 2.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 128.497 2.719 . . . . 168.39 115.104 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.42 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -132.09 162.83 29.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 126.609 1.963 . . . . 71.7 108.596 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.351 2.1 pp -96.19 138.44 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 1 C-N-CA 133.063 4.545 . . . . 171.51 118.268 -176.621 . . . . . . . . 3 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -109.31 129.71 55.51 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 130.299 3.44 . . . . 75.12 105.417 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.51 146.7 52.1 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 106.527 -1.657 . . . . 127.79 106.527 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -107.47 136.86 46.54 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 106.419 -1.697 . . . . 189.29 106.419 164.313 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -49.31 -17.06 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 2 C-N-CA 133.778 4.831 . . . . 139.9 122.807 -173.751 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.23 -23.35 38.11 Favored 'General case' 0 CA--C 1.507 -0.699 1 C-N-CA 132.731 4.413 . . . . 366.01 118.987 -156.722 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.37 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.715 2.406 . . . . 200.7 112.392 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HB2' ' HZ3' ' A' ' 89' ' ' LYS . 16.0 ptpt -130.86 20.01 5.03 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.471 1.908 . . . . 433.73 108.454 176.225 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 73.62 48.48 0.15 Allowed 'General case' 0 C--N 1.368 1.394 0 C-N-CA 128.123 2.569 . . . . 485.87 114.34 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 66.89 -127.73 0.19 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.401 2.28 . . . . 128.36 113.627 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -140.3 64.75 1.43 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.44 -1.689 . . . . 324.71 106.44 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -136.32 32.63 2.83 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.931 1.292 . . . . 295.51 107.826 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -142.5 -29.96 0.56 Allowed 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.1 1.76 . . . . 223.82 109.187 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.422 ' HZ3' ' HB2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.518 0 N-CA-C 102.469 -3.16 . . . . 123.21 102.469 177.336 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.462 ' CE ' ' HB3' ' A' ' 2' ' ' PHE . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 114.863 1.431 . . . . 107.41 114.863 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.462 ' HB3' ' CE ' ' A' ' 1' ' ' MET . 3.5 t80 -50.79 -40.5 55.4 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.466 2.706 . . . . 254.42 113.61 177.001 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . 0.421 ' H ' ' HE1' ' A' ' 1' ' ' MET . 0.1 OUTLIER -50.71 -43.33 57.82 Favored 'General case' 0 CA--C 1.57 1.742 0 C-N-CA 129.342 3.057 . . . . 212.44 113.055 -172.567 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -78.98 -52.47 8.2 Favored 'General case' 0 C--N 1.373 1.598 1 C-N-CA 133.678 4.791 . . . . 205.99 116.493 169.843 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.432 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 77.1 t90 -57.4 -33.82 68.24 Favored 'General case' 0 C--N 1.365 1.244 1 C-N-CA 135.598 5.559 . . . . 104.03 114.581 -175.511 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 p -49.62 -30.57 5.37 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 130.936 3.694 . . . . 55.88 115.01 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.19 64.52 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.0 2.12 . . . . 50.11 114.097 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.91 -39.84 9.6 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 116.701 2.111 . . . . 125.51 116.701 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . 0.432 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 30.8 m120 -126.69 139.81 52.87 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 128.0 2.52 . . . . 70.45 113.552 -172.414 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 157.08 18.01 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.893 2.477 . . . . 60.0 116.61 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm -68.68 147.49 51.79 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 134.308 5.043 . . . . 147.71 113.392 172.004 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.07 -4.08 38.46 Favored Glycine 0 C--N 1.361 1.919 0 C-N-CA 126.047 1.784 . . . . 37.09 112.716 -164.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.69 155.48 17.6 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.103 2.961 . . . . 38.88 109.027 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 pt -116.99 134.89 59.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.978 1.711 . . . . 122.0 111.009 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.75 160.76 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.704 0 O-C-N 119.4 -2.063 . . . . 142.55 105.727 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -95.7 127.57 41.84 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.077 0.465 . . . . 78.3 109.788 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.49 167.52 18.89 Favored Glycine 0 CA--C 1.486 -1.724 0 N-CA-C 111.01 -0.836 . . . . 132.34 111.01 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.295 33.6 pttt -110.75 139.17 46.28 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 117.482 2.401 . . . . 178.17 117.482 -171.015 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.07 130.7 35.62 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 113.526 0.936 . . . . 110.83 113.526 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 77.9 p -130.53 -41.18 1.22 Allowed 'General case' 0 C--N 1.367 1.367 0 N-CA-C 118.552 2.797 . . . . 113.29 118.552 -174.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.8 11.7 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 104.825 -2.287 . . . . 71.12 104.825 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -117.59 147.48 20.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 117.568 2.433 . . . . 135.68 117.568 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.4 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.255 5.3 m-20 -105.59 170.71 7.73 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 129.1 2.96 . . . . 141.25 106.094 172.866 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.0 92.77 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 118.922 -2.361 . . . . 271.48 114.756 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -104.18 0.64 29.75 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 131.501 3.92 . . . . 310.7 110.534 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.4 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -123.09 150.17 16.83 Favored Glycine 0 C--N 1.366 2.215 0 CA-C-O 124.042 1.912 . . . . 87.6 115.245 -168.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.51 131.5 23.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 100.269 -3.975 . . . . 79.41 100.269 164.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.38 128.89 52.31 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 107.05 -1.463 . . . . 62.25 107.05 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.84 133.1 47.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 105.589 -2.004 . . . . 93.73 105.589 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -94.27 130.27 40.61 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 123.472 1.606 . . . . 111.65 108.506 175.607 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.35 -32.81 6.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 112.41 -2.177 . . . . 122.61 107.594 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.268 . . 94.7 161.26 0.02 OUTLIER 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.156 2.982 . . . . 108.78 117.401 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 96.73 5.1 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 130.515 3.526 . . . . 249.36 108.858 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.77 -25.78 16.05 Favored Glycine 0 C--N 1.365 2.174 0 C-N-CA 124.977 1.275 . . . . 261.8 111.284 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.434 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -89.5 137.29 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 127.013 2.125 . . . . 162.68 113.322 -178.226 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -127.08 155.49 43.19 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.912 2.885 . . . . 124.5 111.074 -172.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.73 -166.98 14.09 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 109.576 -1.409 . . . . 66.69 109.576 178.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -115.14 138.07 51.32 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 120.621 2.211 . . . . 130.64 116.119 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.442 0.4 OUTLIER -121.17 124.78 45.55 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 118.865 -2.397 . . . . 173.09 110.453 164.261 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -79.85 138.34 37.17 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 116.703 2.112 . . . . 234.38 116.703 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.63 -31.52 71.59 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.345 2.658 . . . . 67.0 114.051 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.0 m -71.81 -19.38 62.0 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.675 3.19 . . . . 92.06 114.479 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.43 -53.87 2.64 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.276 1.83 . . . . 241.64 110.615 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -92.66 67.96 4.64 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.648 -1.907 . . . . 115.06 113.655 -176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 t -147.7 159.13 44.13 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.135 -1.431 . . . . 89.7 107.135 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -114.04 -9.06 13.01 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.637 1.575 . . . . 131.17 110.722 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -148.16 -162.71 1.61 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.721 2.008 . . . . 115.97 109.086 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -123.35 178.38 5.17 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.099 2.16 . . . . 295.16 107.724 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.269 29.0 t 80.41 -64.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.544 0 C-N-CA 128.245 2.618 . . . . 224.7 110.876 -177.342 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -106.08 129.96 54.08 Favored 'General case' 0 C--N 1.353 0.754 1 N-CA-C 98.308 -4.701 . . . . 111.84 98.308 169.118 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -114.65 -111.84 0.35 Allowed 'General case' 0 CA--C 1.479 -1.771 0 N-CA-C 101.447 -3.538 . . . . 210.5 101.447 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.325 . . -53.79 -12.69 0.57 Allowed 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.72 -2.037 . . . . 72.77 115.652 164.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -78.91 -26.18 43.74 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 119.571 -1.956 . . . . 87.74 113.198 169.225 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.3 tp -81.12 -41.91 21.74 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 116.429 2.011 . . . . 161.64 116.429 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.314 1.4 p -114.15 16.42 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.028 0 N-CA-C 115.519 1.674 . . . . 155.98 115.519 -172.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -131.76 133.04 44.33 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 114.129 -3.029 . . . . 155.03 104.987 166.094 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -99.43 139.39 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 111.238 -2.71 . . . . 156.32 108.386 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.09 124.1 30.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 126.987 2.115 . . . . 268.83 111.3 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 -3.05 55.05 Favored Glycine 0 C--N 1.361 1.936 0 O-C-N 121.211 -0.93 . . . . 172.39 112.794 -172.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -108.92 151.83 25.76 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 107.415 -1.328 . . . . 159.43 107.415 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -107.4 152.94 23.5 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 115.902 1.815 . . . . 194.78 115.902 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.58 158.69 27.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 C-N-CA 127.086 2.154 . . . . 166.4 106.183 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -94.92 130.19 41.64 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.769 2.028 . . . . 114.41 111.154 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.74 166.18 23.54 Favored 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 120.557 -1.34 . . . . 105.33 107.578 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -101.54 126.59 48.37 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 125.865 1.666 . . . . 93.58 110.086 -174.051 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -96.71 113.11 24.64 Favored 'General case' 0 C--N 1.372 1.544 0 N-CA-C 106.678 -1.601 . . . . 129.39 106.678 -175.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.7 m -153.93 56.78 0.73 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 124.007 1.861 . . . . 155.62 107.935 -172.13 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.23 149.36 4.97 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 119.749 -1.844 . . . . 52.87 113.472 171.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.328 0.1 OUTLIER -127.86 141.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 128.061 2.544 . . . . 127.12 109.615 176.127 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.35 127.99 42.86 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.44 1.896 . . . . 134.55 105.982 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -70.78 -22.79 62.34 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.503 2.038 . . . . 145.62 116.503 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.0 -40.39 65.24 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.221 2.208 . . . . 115.07 115.406 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 -12.85 15.32 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.819 -1.176 . . . . 103.56 110.504 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 62.78 39.86 10.48 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.812 2.445 . . . . 168.39 112.412 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.33 21.29 Favored 'General case' 0 N--CA 1.412 -2.345 0 C-N-CA 129.735 3.214 . . . . 71.7 108.162 -172.145 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.715 HD11 ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.17 139.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 1 C-N-CA 134.734 5.214 . . . . 171.51 114.795 -167.986 . . . . . . . . 4 4 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -113.14 115.83 28.89 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.542 -3.133 . . . . 75.12 102.542 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.423 HD13 ' HB ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -143.9 145.44 32.29 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 113.109 -1.859 . . . . 127.79 106.436 -173.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -107.13 145.03 32.99 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 125.185 1.394 . . . . 189.29 107.659 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.427 0.0 OUTLIER -49.84 -14.95 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 1 N-CA-C 123.805 4.743 . . . . 139.9 123.805 178.82 . . . . . . . . 4 3 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -81.29 -43.08 19.65 Favored 'General case' 0 N--CA 1.471 0.598 1 N-CA-C 122.021 4.082 . . . . 366.01 122.021 -155.281 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.293 . . 99.36 -0.68 0.03 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.269 2.628 . . . . 200.7 113.438 -171.218 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -166.18 138.81 3.95 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 120.962 -1.086 . . . . 433.73 109.595 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -164.82 172.45 12.92 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 106.356 -1.72 . . . . 485.87 106.356 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -144.62 149.64 36.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 104.878 -2.267 . . . . 128.36 104.878 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.36 117.02 22.74 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.34 1.456 . . . . 324.71 108.446 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.278 25.2 t70 120.67 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.016 2.926 . . . . 295.51 108.284 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -88.58 -34.41 17.35 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 123.24 1.495 . . . . 223.82 108.037 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.421 ' HZ2' ' HB3' ' A' ' 89' ' ' LYS . 0.5 OUTLIER . . . . . 0 C--O 1.271 2.222 0 C-N-CA 130.292 3.437 . . . . 123.21 102.896 171.753 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.466 ' HB2' ' H ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.91 -0.404 . . . . 107.41 109.91 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.43 ' HB3' HG12 ' A' ' 76' ' ' ILE 0.301 0.0 OUTLIER -59.39 -30.72 68.63 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.622 2.769 . . . . 254.42 113.645 177.772 . . . . . . . . 4 4 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -49.51 -30.19 7.99 Favored 'General case' 0 CA--C 1.59 2.482 0 C-N-CA 126.02 1.728 . . . . 212.44 113.576 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -76.59 -50.81 12.91 Favored 'General case' 0 C--N 1.372 1.544 1 C-N-CA 132.878 4.471 . . . . 205.99 113.357 170.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.85 -33.81 69.05 Favored 'General case' 0 C--N 1.363 1.19 1 C-N-CA 133.956 4.903 . . . . 104.03 114.268 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.41 -31.46 8.69 Favored 'Isoleucine or valine' 0 C--N 1.371 1.541 0 C-N-CA 129.763 3.225 . . . . 55.88 116.012 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.38 -25.5 42.15 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.549 1.54 . . . . 50.11 113.47 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.02 -39.56 9.69 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.062 2.145 . . . . 125.51 115.914 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -113.52 148.34 36.24 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 115.033 1.494 . . . . 70.45 115.033 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -106.7 141.24 38.28 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 115.425 1.639 . . . . 60.0 115.425 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -73.09 144.59 46.96 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 128.262 2.625 . . . . 147.71 111.425 169.081 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.99 -3.92 41.46 Favored Glycine 0 C--N 1.367 2.255 0 CA-C-O 122.506 1.059 . . . . 37.09 112.817 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.93 168.69 9.95 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 129.249 3.02 . . . . 38.88 109.773 -172.287 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.16 136.28 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 125.965 1.706 . . . . 122.0 111.663 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.32 163.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 N-CA-C 105.757 -1.942 . . . . 142.55 105.757 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.8 m -115.08 130.87 57.04 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.689 -2.337 . . . . 78.3 104.689 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -136.09 176.14 20.44 Favored Glycine 0 C--N 1.361 1.957 0 C-N-CA 120.145 -1.026 . . . . 132.34 115.042 174.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.259 18.9 ptmt -128.78 145.6 51.14 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 115.047 1.499 . . . . 178.17 115.047 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -78.09 123.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 C-N-CA 123.902 0.881 . . . . 110.83 112.124 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -129.35 -19.27 3.49 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 114.815 1.413 . . . . 113.29 114.815 -170.583 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.38 153.74 20.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 105.372 -2.085 . . . . 71.12 105.372 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.64 142.89 29.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 N-CA-C 114.16 1.17 . . . . 135.68 114.16 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.284 1.9 m-20 -106.64 169.22 8.66 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.289 2.236 . . . . 141.25 106.757 172.634 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.66 81.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.691 -1.881 . . . . 271.48 114.908 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -106.7 0.16 24.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.312 2.645 . . . . 310.7 110.202 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -127.97 163.07 21.71 Favored Glycine 0 CA--C 1.481 -2.092 0 CA-C-O 124.467 2.149 . . . . 87.6 116.582 -156.249 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.95 131.2 24.96 Favored 'General case' 0 N--CA 1.425 -1.689 1 N-CA-C 99.764 -4.161 . . . . 79.41 99.764 166.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -106.72 126.38 52.22 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.795 -2.298 . . . . 62.25 104.795 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -111.34 137.12 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.771 2.028 . . . . 93.73 107.978 -170.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.0 122.89 33.43 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.909 2.084 . . . . 111.65 106.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 11.2 mt -109.48 3.98 21.87 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 127.228 2.211 . . . . 122.61 113.878 -168.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.61 163.53 0.27 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.811 2.444 . . . . 108.78 117.535 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 72.32 7.97 5.74 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.81 2.044 . . . . 249.36 111.485 -171.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 13.8 51.68 Favored Glycine 0 C--N 1.365 2.189 0 C-N-CA 127.244 2.354 . . . . 261.8 113.551 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -95.06 145.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.138 0 C-N-CA 127.244 2.218 . . . . 162.68 113.815 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' H ' ' HB2' ' A' ' 1' ' ' MET . 45.6 mt-10 -127.84 154.92 44.9 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 128.536 2.734 . . . . 124.5 112.384 176.646 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.02 -151.61 5.97 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 119.488 -1.339 . . . . 66.69 110.808 167.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.34 137.97 44.41 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 118.316 2.709 . . . . 130.64 118.316 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.95 117.41 29.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 104.606 -2.368 . . . . 173.09 104.606 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -80.17 133.9 36.09 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 114.87 1.433 . . . . 234.38 114.87 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.69 -25.82 60.42 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 119.771 -1.831 . . . . 67.0 113.782 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 p -76.54 -31.26 57.5 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 130.296 3.438 . . . . 92.06 113.626 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -103.48 -37.31 7.64 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 124.502 1.121 . . . . 241.64 113.565 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.52 -26.25 50.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 116.083 1.883 . . . . 115.06 116.083 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.9 p -88.77 -161.79 0.79 Allowed 'General case' 0 C--N 1.36 1.045 0 N-CA-C 115.816 1.784 . . . . 89.7 115.816 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -113.65 -1.17 14.09 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.559 -1.338 . . . . 131.17 110.307 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 69.43 70.62 0.25 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 129.012 2.925 . . . . 115.97 113.667 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -139.2 -152.52 0.42 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.076 1.35 . . . . 295.16 109.205 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.1 -32.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.225 0 O-C-N 119.791 -1.818 . . . . 224.7 115.698 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.75 131.13 57.03 Favored 'General case' 0 N--CA 1.446 -0.627 1 N-CA-C 99.832 -4.136 . . . . 111.84 99.832 170.516 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.35 -113.12 0.21 Allowed 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 100.325 -3.954 . . . . 210.5 100.325 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.73 -14.26 0.12 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 117.691 2.478 . . . . 72.77 117.691 168.621 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -26.8 46.81 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 120.356 1.435 . . . . 87.74 113.568 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.15 -42.2 21.25 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 116.83 2.159 . . . . 161.64 116.83 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.9 15.94 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.813 0 N-CA-C 113.654 0.983 . . . . 155.98 113.654 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.21 133.35 42.62 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 113.548 -3.261 . . . . 155.03 106.361 167.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -111.15 159.96 17.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 110.218 -3.174 . . . . 156.32 109.739 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.27 75.6 t -74.79 121.41 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 128.39 2.676 . . . . 268.83 109.759 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.13 -2.56 56.61 Favored Glycine 0 C--N 1.36 1.902 0 O-C-N 121.509 -0.744 . . . . 172.39 112.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.54 138.31 33.38 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.747 1.619 . . . . 159.43 108.36 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -89.05 152.79 21.47 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 117.908 2.558 . . . . 194.78 117.908 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.13 162.52 24.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 N-CA-C 105.433 -2.062 . . . . 166.4 105.433 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -124.51 142.85 51.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.73 -1.232 . . . . 114.41 108.723 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.37 169.84 16.91 Favored 'General case' 0 CA--C 1.488 -1.438 0 C-N-CA 117.412 -1.715 . . . . 105.33 109.78 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -100.34 130.34 46.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.659 -1.978 . . . . 93.58 105.659 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.72 104.53 16.56 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.176 -1.787 . . . . 129.39 106.176 -172.159 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.3 2.5 t -113.1 -37.86 4.64 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 118.916 -1.114 . . . . 155.62 113.781 -166.491 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.05 179.76 39.45 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 120.234 -0.984 . . . . 52.87 114.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.298 0.2 OUTLIER -124.77 138.92 52.54 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 C-N-CA 126.903 2.081 . . . . 127.12 107.59 175.311 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -100.98 127.37 47.51 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 104.524 -2.398 . . . . 134.55 104.524 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.04 -16.59 63.18 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.483 1.66 . . . . 145.62 115.483 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.41 -35.67 65.87 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 128.76 2.824 . . . . 115.07 112.861 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.296 76.4 m-20 -101.27 -14.95 17.45 Favored 'General case' 0 C--N 1.362 1.146 0 O-C-N 120.718 -1.239 . . . . 103.56 112.446 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 58.21 32.91 22.61 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.05 2.54 . . . . 168.39 111.921 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 166.62 22.32 Favored 'General case' 0 N--CA 1.42 -1.965 0 C-N-CA 130.577 3.551 . . . . 71.7 111.581 -167.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.43 HG12 ' HB3' ' A' ' 2' ' ' PHE . 8.2 pt -93.79 138.8 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 131.693 3.997 . . . . 171.51 114.936 -175.445 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -113.46 116.14 29.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.744 3.218 . . . . 75.12 103.568 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -136.43 133.94 37.18 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 102.734 -3.061 . . . . 127.79 102.734 179.542 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -107.94 144.3 35.4 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.431 1.492 . . . . 189.29 107.344 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.353 1.5 p -48.32 -14.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 1 N-CA-C 122.336 4.198 . . . . 139.9 122.336 -172.902 . . . . . . . . 3 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.35 -25.14 65.61 Favored 'General case' 0 C--N 1.316 -0.89 2 C-N-CA 134.649 5.18 . . . . 366.01 122.366 -151.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 69.65 -56.82 0.56 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.578 1.951 . . . . 200.7 115.396 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -159.44 67.73 0.41 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 107.647 -1.242 . . . . 433.73 107.647 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -166.43 161.96 16.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 103.798 -2.667 . . . . 485.87 103.798 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -146.39 -169.99 3.4 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.442 2.297 . . . . 128.36 105.208 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.47 158.32 43.38 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.224 -1.769 . . . . 324.71 106.224 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.255 16.9 t70 96.14 -20.67 0.05 Allowed 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.867 2.867 . . . . 295.51 110.932 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -139.54 85.39 2.04 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.295 2.238 . . . . 223.82 105.391 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.269 2.082 0 N-CA-C 102.946 -2.983 . . . . 123.21 102.946 179.794 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.3 ppp? . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 111.695 0.257 . . . . 107.41 111.695 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.439 ' HB3' HG12 ' A' ' 76' ' ' ILE 0.259 0.0 OUTLIER -50.88 -31.05 16.21 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 130.301 3.441 . . . . 254.42 113.842 176.785 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -32.13 8.96 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 126.507 1.923 . . . . 212.44 114.942 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -78.13 -33.28 50.57 Favored 'General case' 0 C--N 1.373 1.601 1 C-N-CA 137.162 6.185 . . . . 205.99 117.779 169.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -33.55 73.7 Favored 'General case' 0 C--N 1.353 0.731 1 C-N-CA 134.055 4.942 . . . . 104.03 115.342 -171.871 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -49.95 -32.07 7.8 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 C-N-CA 130.827 3.651 . . . . 55.88 115.019 -174.594 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.31 64.64 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 129.326 3.05 . . . . 50.11 113.682 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -95.94 -40.5 9.25 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.047 -1.033 . . . . 125.51 113.615 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -128.07 124.63 37.5 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.603 1.961 . . . . 70.45 110.232 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.32 156.64 18.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.631 1.973 . . . . 60.0 115.162 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -56.24 145.25 27.17 Favored 'General case' 0 C--N 1.361 1.089 1 C-N-CA 132.197 4.199 . . . . 147.71 115.746 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 -3.61 39.88 Favored Glycine 0 C--N 1.368 2.319 0 CA-C-O 122.844 1.247 . . . . 37.09 114.349 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.0 173.68 6.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 128.654 2.782 . . . . 38.88 111.142 -169.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.96 134.78 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 O-C-N 120.132 -1.605 . . . . 122.0 108.091 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.32 145.41 32.93 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 N-CA-C 104.064 -2.569 . . . . 142.55 104.064 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -99.63 129.49 45.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.927 0.891 . . . . 78.3 111.362 -173.459 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.31 28.21 Favored Glycine 0 C--N 1.361 1.948 0 C-N-CA 119.534 -1.317 . . . . 132.34 114.85 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 0.0 OUTLIER -123.9 150.87 44.18 Favored 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 115.729 1.751 . . . . 178.17 115.729 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.19 130.02 36.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.485 0 CA-C-N 114.683 -1.144 . . . . 110.83 113.521 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 5.1 t -139.23 -14.46 1.14 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 116.596 2.072 . . . . 113.29 116.596 -174.493 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.34 154.93 10.77 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 120.594 1.543 . . . . 71.12 106.847 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 m -117.21 142.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 120.762 -1.211 . . . . 135.68 113.224 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.458 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.295 1.9 m-20 -106.36 169.6 8.42 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.319 2.247 . . . . 141.25 105.242 171.046 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.7 82.53 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 118.728 -2.483 . . . . 271.48 115.87 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -106.75 0.22 24.01 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.206 3.002 . . . . 310.7 109.296 172.412 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.458 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -118.16 161.46 13.47 Favored Glycine 0 CA--C 1.478 -2.26 0 CA-C-O 124.389 2.105 . . . . 87.6 117.205 -162.238 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -135.49 131.58 36.28 Favored 'General case' 0 N--CA 1.422 -1.84 1 N-CA-C 98.573 -4.603 . . . . 79.41 98.573 167.11 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.99 121.63 43.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.872 -2.27 . . . . 62.25 104.872 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.71 139.51 27.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.023 -1.473 . . . . 93.73 107.023 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -94.59 126.63 40.0 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 107.624 -1.25 . . . . 111.65 107.624 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.8 mt -106.28 -2.04 22.78 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.805 2.042 . . . . 122.61 113.194 -172.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 74.73 162.28 0.25 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 118.487 2.773 . . . . 108.78 118.487 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 70.0 8.21 6.58 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 126.567 1.947 . . . . 249.36 111.908 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 10.57 42.71 Favored Glycine 0 C--N 1.362 1.994 0 C-N-CA 126.237 1.875 . . . . 261.8 113.441 -172.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.49 141.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 CA-C-N 119.983 1.892 . . . . 162.68 112.581 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -127.82 155.2 44.48 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.992 2.517 . . . . 124.5 111.994 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.73 -153.67 6.73 Favored Glycine 0 C--N 1.368 2.352 0 C-N-CA 119.003 -1.57 . . . . 66.69 110.826 169.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.407 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.7 m-85 -106.6 140.08 40.03 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.423 2.379 . . . . 130.64 117.423 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 7.1 tt -122.6 120.09 32.75 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 103.901 -2.629 . . . . 173.09 103.901 166.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -80.72 135.23 35.97 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.846 -1.784 . . . . 234.38 115.694 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.39 -25.51 60.59 Favored 'General case' 0 C--N 1.371 1.535 0 N-CA-C 115.002 1.482 . . . . 67.0 115.002 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -74.14 -18.9 60.73 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.254 1.821 . . . . 92.06 113.635 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -109.41 -34.33 6.56 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.631 1.572 . . . . 241.64 112.689 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -99.91 -13.35 19.19 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 116.129 1.9 . . . . 115.06 116.129 -177.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.266 22.1 p -97.06 143.79 27.56 Favored 'General case' 0 C--N 1.369 1.415 0 O-C-N 120.047 -1.658 . . . . 89.7 115.016 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -112.11 116.42 30.47 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 101.112 -3.662 . . . . 131.17 101.112 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -87.37 99.62 12.12 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 126.028 1.731 . . . . 115.97 113.546 -171.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -157.15 79.52 0.9 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.07 -1.455 . . . . 295.16 107.07 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.251 39.1 t 75.06 -52.78 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.64 0 C-N-CA 127.682 2.393 . . . . 224.7 112.05 -174.12 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -96.19 150.28 20.71 Favored 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 132.227 4.211 . . . . 111.84 104.203 172.759 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.17 -114.21 0.32 Allowed 'General case' 0 CA--C 1.475 -1.904 1 N-CA-C 96.258 -5.46 . . . . 210.5 96.258 179.167 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.367 . . -54.49 -13.12 0.84 Allowed 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 115.773 1.768 . . . . 72.77 115.773 169.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -24.98 62.23 Favored 'General case' 0 C--N 1.375 1.701 0 O-C-N 119.442 -2.036 . . . . 87.74 113.254 168.764 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.1 tp -80.52 -43.01 21.43 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 117.122 2.267 . . . . 161.64 117.122 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.307 7.8 p -128.23 16.28 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.922 0 O-C-N 121.326 -0.859 . . . . 155.98 112.807 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -132.36 133.76 44.36 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 102.358 -3.201 . . . . 155.03 102.358 162.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 p -108.88 138.7 44.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 111.464 -2.607 . . . . 156.32 106.868 168.079 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -74.89 122.75 29.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.975 0 C-N-CA 127.088 2.155 . . . . 268.83 109.703 177.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -3.06 39.96 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.749 0.69 . . . . 172.39 111.774 -168.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.9 149.91 29.21 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 118.484 1.142 . . . . 159.43 109.154 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -92.94 154.79 17.97 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 118.926 2.936 . . . . 194.78 118.926 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 m -134.26 161.99 39.79 Favored 'Isoleucine or valine' 0 C--N 1.372 1.563 0 C-N-CA 126.982 2.113 . . . . 166.4 105.519 172.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.65 119.34 35.2 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 101.714 -3.439 . . . . 114.41 101.714 172.246 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.08 168.43 16.78 Favored 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 116.276 -2.169 . . . . 105.33 105.669 -166.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -99.36 130.32 45.63 Favored 'General case' 0 CA--C 1.487 -1.468 0 N-CA-C 106.849 -1.537 . . . . 93.58 106.849 -169.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.86 103.74 15.63 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 104.791 -2.3 . . . . 129.39 104.791 -171.619 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.2 p -98.72 -68.97 0.78 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 115.479 -0.782 . . . . 155.62 110.891 -168.033 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.93 174.39 37.54 Favored Glycine 0 CA--C 1.494 -1.264 0 CA-C-O 123.275 1.486 . . . . 52.87 115.16 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -125.66 141.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 129.491 3.116 . . . . 127.12 106.817 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -100.94 127.92 47.2 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 103.394 -2.817 . . . . 134.55 103.394 167.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -49.86 -29.76 8.67 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 129.979 3.312 . . . . 145.62 118.0 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -71.86 -24.33 61.67 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.093 2.957 . . . . 115.07 114.606 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.284 64.8 m-80 -102.76 -14.58 16.58 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 120.523 -1.361 . . . . 103.56 111.315 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 48.58 31.08 2.74 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 132.309 4.244 . . . . 168.39 111.777 -165.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.94 161.87 34.03 Favored 'General case' 0 N--CA 1.419 -2.012 0 C-N-CA 125.764 1.626 . . . . 71.7 111.14 -170.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.439 HG12 ' HB3' ' A' ' 2' ' ' PHE . 13.8 pt -95.57 139.39 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 1 C-N-CA 135.444 5.497 . . . . 171.51 118.472 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -110.45 133.72 53.01 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 130.576 3.55 . . . . 75.12 106.454 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.407 ' H ' ' HB2' ' A' ' 38' ' ' TYR . 1.5 mt -128.09 145.97 50.84 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.09 -1.448 . . . . 127.79 107.09 175.054 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 p -106.98 126.97 53.02 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 105.367 -2.086 . . . . 189.29 105.367 167.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 1.5 t -47.89 -17.06 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 2 N-CA-C 126.602 5.778 . . . . 139.9 126.602 -162.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -80.47 -43.35 21.0 Favored 'General case' 0 C--N 1.328 -0.361 1 N-CA-C 122.545 4.276 . . . . 366.01 122.545 -154.135 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.253 . . 98.82 -16.95 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 128.138 2.575 . . . . 200.7 111.122 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -135.4 38.49 2.91 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.414 1.086 . . . . 433.73 113.018 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.303 15.1 t70 83.38 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.371 2.268 . . . . 485.87 116.306 172.733 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -135.28 -82.02 0.42 Allowed 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.619 1.967 . . . . 128.36 110.001 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.278 . . 84.14 9.45 0.48 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.915 2.486 . . . . 324.71 114.863 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -97.15 4.58 51.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.433 2.293 . . . . 295.51 110.507 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 161.15 -153.32 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.911 2 N-CA-C 96.12 -5.511 . . . . 223.82 96.12 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 C--O 1.261 1.691 0 N-CA-C 103.505 -2.776 . . . . 123.21 103.505 172.86 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.477 ' HE2' ' H ' ' A' ' 76' ' ' ILE . 2.2 ppp? . . . . . 0 N--CA 1.505 2.279 0 N-CA-C 113.175 0.806 . . . . 107.41 113.175 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.426 ' HB3' HG13 ' A' ' 76' ' ' ILE 0.401 0.0 OUTLIER -60.54 -29.12 68.94 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 130.103 3.361 . . . . 254.42 113.136 175.385 . . . . . . . . 4 4 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -31.59 7.75 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 128.669 2.788 . . . . 212.44 113.086 -170.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -77.94 -50.9 11.29 Favored 'General case' 0 C--N 1.375 1.7 1 C-N-CA 137.419 6.288 . . . . 205.99 116.566 168.091 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.64 45.24 Favored 'General case' 0 C--N 1.355 0.829 1 C-N-CA 136.259 5.824 . . . . 104.03 117.282 -177.356 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 1.7 t -49.95 -30.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 C-N-CA 131.007 3.723 . . . . 55.88 113.767 -177.62 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.45 77.14 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.2 2.6 . . . . 50.11 114.343 171.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.26 -39.26 9.74 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.645 2.378 . . . . 125.51 116.922 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -112.17 152.56 28.2 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.801 . . . . 70.45 115.325 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -106.84 135.7 47.93 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 117.091 2.256 . . . . 60.0 117.091 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -74.67 145.02 43.51 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.252 3.021 . . . . 147.71 112.927 167.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.05 -4.12 57.28 Favored Glycine 0 C--N 1.372 2.53 0 CA-C-O 122.889 1.272 . . . . 37.09 113.151 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.42 163.66 12.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 129.151 2.98 . . . . 38.88 108.809 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.57 135.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.927 1.691 . . . . 122.0 111.219 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.85 160.14 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.676 0 N-CA-C 105.527 -2.027 . . . . 142.55 105.527 -170.791 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 t -98.23 127.83 44.37 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.559 1.171 . . . . 78.3 108.583 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.4 166.34 24.19 Favored Glycine 0 CA--C 1.481 -2.088 0 N-CA-C 109.77 -1.332 . . . . 132.34 109.77 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.92 142.43 46.79 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 117.873 2.545 . . . . 178.17 117.873 -174.603 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 132.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-N 114.487 -1.233 . . . . 110.83 113.601 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.252 3.4 m -142.5 -45.08 0.32 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 118.958 -2.339 . . . . 113.29 116.615 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 149.17 28.23 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.094 -2.558 . . . . 71.12 104.094 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.269 16.0 m -117.71 147.24 21.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 115.179 1.548 . . . . 135.68 115.179 -176.416 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.438 ' HB2' ' HA3' ' A' ' 26' ' ' GLY . 4.7 m-20 -105.66 168.85 8.83 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.268 2.227 . . . . 141.25 105.629 173.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.15 75.55 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 119.75 -1.844 . . . . 271.48 115.077 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.5 -0.09 24.26 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.4 3.08 . . . . 310.7 110.279 174.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -128.14 160.29 21.92 Favored Glycine 0 CA--C 1.479 -2.171 0 N-CA-C 118.699 2.24 . . . . 87.6 118.699 -156.644 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.71 25.43 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 101.875 -3.38 . . . . 79.41 101.875 165.073 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -100.72 125.0 47.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 103.283 -2.858 . . . . 62.25 103.283 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.02 142.32 21.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 125.339 1.456 . . . . 93.73 108.045 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -89.74 127.76 36.0 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.352 1.061 . . . . 111.65 110.006 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.64 0.39 20.63 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 128.095 2.558 . . . . 122.61 111.445 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 66.54 157.34 0.11 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 119.251 3.056 . . . . 108.78 119.251 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.28 12.58 4.82 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.628 1.971 . . . . 249.36 111.604 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.59 23.64 18.13 Favored Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.901 1.715 . . . . 261.8 113.201 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.6 t -104.13 137.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.683 1.593 . . . . 162.68 109.582 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.84 154.41 45.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 126.027 1.731 . . . . 124.5 108.982 174.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.45 -158.98 7.91 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.807 -0.917 . . . . 66.69 110.807 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.515 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.6 m-85 -106.4 139.13 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.884 2.073 . . . . 130.64 113.446 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . 0.273 1.0 OUTLIER -133.85 133.57 41.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 102.56 -3.126 . . . . 173.09 102.56 175.405 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.514 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 40.0 mtp180 -80.35 156.06 26.9 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.003 -2.311 . . . . 234.38 112.497 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -24.13 7.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 131.665 3.986 . . . . 67.0 118.633 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 p -73.95 -19.67 60.6 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 129.862 3.265 . . . . 92.06 113.311 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 72.02 -66.4 0.3 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 130.996 3.718 . . . . 241.64 115.213 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 169.72 173.14 0.05 Allowed 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 130.894 3.678 . . . . 115.06 103.02 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.9 p -170.86 -86.87 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 102.096 -3.298 . . . . 89.7 102.096 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -173.05 -63.79 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 129.247 3.019 . . . . 131.17 103.982 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -134.57 -68.37 0.54 Allowed 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.329 -0.857 . . . . 115.97 109.661 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -95.9 -143.53 0.27 Allowed 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.443 1.497 . . . . 295.16 113.434 -175.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 m -31.33 -101.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.374 1 C-N-CA 135.034 5.333 . . . . 224.7 118.997 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.5 127.29 54.42 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 119.717 -1.865 . . . . 111.84 106.258 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.491 7.2 m-20 -123.0 -113.1 0.31 Allowed 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 100.476 -3.898 . . . . 210.5 100.476 165.448 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.45 -12.74 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 118.725 2.861 . . . . 72.77 118.725 168.011 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 129.855 3.262 . . . . 87.74 114.856 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . 0.355 1.4 pp -81.19 -19.98 42.17 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.554 1.942 . . . . 161.64 114.394 172.175 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.486 4.8 p -113.5 18.88 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 C-N-CA 128.429 2.691 . . . . 155.98 114.563 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -130.26 130.48 44.63 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 101.712 -3.44 . . . . 155.03 101.712 169.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 t -112.62 163.71 14.2 Favored 'General case' 0 C--N 1.329 -0.311 1 C-N-CA 134.8 5.24 . . . . 156.32 112.969 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 p -57.04 123.32 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 127.258 2.223 . . . . 268.83 111.946 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.55 -3.01 86.51 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 120.711 -1.243 . . . . 172.39 115.68 -167.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -99.94 142.82 30.9 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 105.378 -2.082 . . . . 159.43 105.378 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -100.36 143.98 29.91 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.608 2.818 . . . . 194.78 118.608 -166.305 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 t -119.06 147.99 22.25 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 127.677 2.391 . . . . 166.4 107.749 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -95.12 119.46 33.67 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 106.545 -1.65 . . . . 114.41 106.545 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.16 160.62 34.25 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 104.697 -2.334 . . . . 105.33 104.697 -169.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.401 ' HZ3' ' HB2' ' A' ' 65' ' ' LYS . 2.5 ttmp? -100.2 136.24 40.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 125.807 1.643 . . . . 93.58 109.454 -166.738 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.19 105.15 17.15 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 106.325 -1.731 . . . . 129.39 106.325 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.9 p -92.44 -46.1 7.82 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 114.171 -1.377 . . . . 155.62 113.859 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.17 176.04 47.58 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 110.431 -1.068 . . . . 52.87 110.431 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.269 0.4 OUTLIER -125.15 142.62 41.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 126.96 2.104 . . . . 127.12 107.893 -178.128 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.97 125.52 33.44 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.615 -1.995 . . . . 134.55 105.615 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -70.83 -29.93 66.21 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.941 2.2 . . . . 145.62 116.941 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -71.89 -40.57 68.79 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 127.049 2.14 . . . . 115.07 115.488 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -12.44 15.38 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.198 -0.939 . . . . 103.56 111.192 174.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.357 64.8 mtp85 67.08 54.39 0.75 Allowed 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.575 2.435 . . . . 168.39 117.575 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.95 162.83 30.61 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.338 1.855 . . . . 71.7 108.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.477 ' H ' ' HE2' ' A' ' 1' ' ' MET . 1.3 pp -94.59 138.76 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 1 C-N-CA 132.897 4.479 . . . . 171.51 112.651 -175.8 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.4 m -113.51 131.1 56.18 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.949 2.9 . . . . 75.12 105.582 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.515 ' H ' ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -122.73 146.52 47.42 Favored 'General case' 0 CA--C 1.486 -1.514 0 CA-C-O 123.482 1.611 . . . . 127.79 106.886 175.435 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.9 m -106.66 136.59 46.19 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 101.652 -3.462 . . . . 189.29 101.652 169.055 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.514 ' CG1' ' H ' ' A' ' 40' ' ' ARG . 5.4 m -49.29 -16.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 1 N-CA-C 125.83 5.493 . . . . 139.9 125.83 -174.503 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -68.75 -42.79 77.02 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 121.733 3.975 . . . . 366.01 121.733 -146.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 78.64 -58.75 0.43 Allowed 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.551 1.941 . . . . 200.7 110.789 -171.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 164.98 123.06 0.01 OUTLIER 'General case' 0 C--N 1.348 0.53 0 C-N-CA 130.516 3.527 . . . . 433.73 105.908 172.648 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -148.83 -178.06 6.14 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.416 -1.428 . . . . 485.87 110.892 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.53 0.1 57.14 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.842 2.057 . . . . 128.36 116.007 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.06 62.33 7.44 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 119.821 -1.799 . . . . 324.71 113.708 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -148.63 18.31 1.03 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.885 1.274 . . . . 295.51 111.249 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -158.52 54.9 0.44 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.706 -1.961 . . . . 223.82 105.706 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt . . . . . 0 C--O 1.266 1.94 0 N-CA-C 103.924 -2.621 . . . . 123.21 103.924 -176.553 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.527 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 112.393 0.516 . . . . 107.41 112.393 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.472 ' H ' ' CG ' ' A' ' 1' ' ' MET . 47.3 t80 -52.62 -38.33 59.98 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 131.221 3.808 . . . . 254.42 117.534 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.05 22.55 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 127.047 2.139 . . . . 212.44 114.077 -168.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -78.88 -52.48 8.24 Favored 'General case' 0 C--N 1.367 1.337 1 C-N-CA 135.927 5.691 . . . . 205.99 117.27 168.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.355 0.809 1 C-N-CA 134.876 5.27 . . . . 104.03 115.975 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.02 -31.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 130.591 3.556 . . . . 55.88 115.112 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.46 2.704 . . . . 50.11 114.409 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -96.28 -39.12 9.81 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.017 2.228 . . . . 125.51 117.017 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.31 140.98 37.62 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.508 1.923 . . . . 70.45 115.16 -170.355 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -105.65 154.66 20.13 Favored 'General case' 0 C--N 1.367 1.368 0 N-CA-C 115.854 1.798 . . . . 60.0 115.854 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -73.91 143.97 45.54 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 129.343 3.057 . . . . 147.71 111.518 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.47 -4.51 47.47 Favored Glycine 0 C--N 1.366 2.232 0 CA-C-O 123.906 1.837 . . . . 37.09 112.261 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.06 164.93 12.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 129.581 3.152 . . . . 38.88 107.777 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 pt -114.87 135.43 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.687 0 C-N-CA 124.811 1.244 . . . . 122.0 109.009 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 t -131.53 144.74 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.34 0 N-CA-C 102.27 -3.233 . . . . 142.55 102.27 -171.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -104.74 127.9 52.67 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 122.616 1.198 . . . . 78.3 108.56 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.94 164.58 28.21 Favored Glycine 0 CA--C 1.48 -2.131 0 CA-C-N 114.788 -1.096 . . . . 132.34 112.461 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -109.82 131.64 54.88 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 118.351 2.722 . . . . 178.17 118.351 -167.539 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 9.9 p -65.97 128.84 29.6 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 115.648 1.721 . . . . 110.83 115.648 -174.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.258 0.2 OUTLIER -138.65 -42.81 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 1 N-CA-C 122.152 4.13 . . . . 113.29 122.152 -168.473 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.02 154.56 29.79 Favored 'General case' 0 CA--C 1.499 -1.019 0 O-C-N 119.381 -2.074 . . . . 71.12 107.01 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.45 147.2 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 117.97 2.581 . . . . 135.68 117.97 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.481 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.276 24.5 m-20 -105.94 168.79 8.89 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.381 2.672 . . . . 141.25 105.511 172.377 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 116.913 2.19 . . . . 271.48 116.913 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -106.99 0.66 23.86 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 129.223 3.009 . . . . 310.7 110.678 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.481 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -123.93 162.87 17.82 Favored Glycine 0 CA--C 1.467 -2.937 0 N-CA-C 117.751 1.86 . . . . 87.6 117.751 -154.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.18 145.37 35.58 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 124.413 2.054 . . . . 79.41 105.471 168.401 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -110.41 130.43 55.56 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.573 -1.649 . . . . 62.25 109.02 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.37 132.97 47.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 C-N-CA 126.609 1.964 . . . . 93.73 106.505 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.11 121.24 27.17 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 122.936 1.35 . . . . 111.65 110.139 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.57 -10.24 11.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.441 -1.709 . . . . 122.61 110.024 -171.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.261 . . 85.49 165.79 0.09 Allowed 'General case' 0 C--N 1.364 1.213 0 C-N-CA 129.738 3.215 . . . . 108.78 119.185 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 82.03 8.05 0.93 Allowed 'General case' 0 C--N 1.364 1.228 0 C-N-CA 130.539 3.535 . . . . 249.36 110.806 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.67 -11.77 53.6 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.676 1.608 . . . . 261.8 113.736 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.31 143.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 125.103 1.361 . . . . 162.68 110.927 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.78 154.38 27.49 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.732 1.613 . . . . 124.5 112.097 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.64 -163.72 28.14 Favored Glycine 0 C--N 1.363 2.077 0 C-N-CA 125.176 1.369 . . . . 66.69 110.187 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.92 138.24 42.44 Favored 'General case' 0 C--N 1.364 1.238 0 O-C-N 120.099 -1.824 . . . . 130.64 114.352 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.19 132.23 41.32 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 102.507 -3.146 . . . . 173.09 102.507 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.457 ' H ' HG13 ' A' ' 80' ' ' VAL . 66.4 mtp180 -82.0 156.05 24.86 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 127.687 2.395 . . . . 234.38 113.964 174.617 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.39 -25.44 9.84 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.853 3.261 . . . . 67.0 119.034 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 p -71.55 -32.41 68.1 Favored 'General case' 0 C--N 1.362 1.133 1 C-N-CA 132.923 4.489 . . . . 92.06 112.045 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . 0.258 45.8 mt-10 71.96 -70.34 0.16 Allowed 'General case' 0 C--N 1.356 0.879 1 C-N-CA 133.492 4.717 . . . . 241.64 115.746 174.312 . . . . . . . . 3 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.36 69.17 0.5 Allowed 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.184 -2.525 . . . . 115.06 104.184 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.405 ' HA ' ' HB3' ' A' ' 51' ' ' ASP . 98.1 p -96.9 -140.98 0.28 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.226 1.41 . . . . 89.7 109.559 -179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -178.9 -54.13 0.01 OUTLIER 'General case' 0 C--N 1.351 0.639 0 N-CA-C 105.515 -2.032 . . . . 131.17 105.515 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -90.08 51.73 2.11 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.43 2.292 . . . . 115.97 110.516 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 59.65 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.656 3.182 . . . . 295.16 117.439 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.286 13.0 p -81.62 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.021 0 C-N-CA 127.996 2.518 . . . . 224.7 114.841 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -116.96 128.93 55.68 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 121.428 1.922 . . . . 111.84 110.279 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . 0.405 ' HB3' ' HA ' ' A' ' 45' ' ' SER . 30.2 t70 -118.35 -114.36 0.33 Allowed 'General case' 0 C--N 1.375 1.686 1 N-CA-C 98.713 -4.551 . . . . 210.5 98.713 164.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -10.76 0.44 Allowed 'General case' 0 N--CA 1.439 -0.976 1 C-N-CA 134.161 4.985 . . . . 72.77 116.459 162.176 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -58.86 -25.8 63.63 Favored 'General case' 0 C--N 1.376 1.758 0 C-N-CA 130.121 3.368 . . . . 87.74 115.521 -165.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -76.76 -20.77 56.11 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.411 1.884 . . . . 161.64 111.944 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.441 2.8 p -116.62 18.21 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 C-N-CA 126.399 1.88 . . . . 155.98 114.6 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.28 132.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 126.559 3.076 . . . . 155.03 106.467 166.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -111.24 162.8 14.6 Favored 'General case' 0 C--N 1.325 -0.462 2 C-N-CA 134.946 5.299 . . . . 156.32 115.991 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 p -46.36 123.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 129.057 2.943 . . . . 268.83 115.092 171.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.29 -3.64 64.11 Favored Glycine 0 C--N 1.362 2.006 0 C-N-CA 125.5 1.524 . . . . 172.39 113.531 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.82 130.51 34.66 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.334 1.854 . . . . 159.43 107.568 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -105.18 149.84 25.58 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.785 1.772 . . . . 194.78 115.785 -174.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.91 158.81 36.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 127.248 2.219 . . . . 166.4 106.362 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -95.18 122.4 37.82 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.595 1.958 . . . . 114.41 106.563 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.22 169.66 15.09 Favored 'General case' 0 CA--C 1.477 -1.855 0 N-CA-C 102.346 -3.205 . . . . 105.33 102.346 -166.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -99.03 136.35 39.13 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 104.842 -2.281 . . . . 93.58 104.842 -170.729 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -96.49 103.72 15.65 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 102.002 -3.332 . . . . 129.39 102.002 -177.1 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.281 12.9 t -107.39 -55.77 2.3 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 112.829 0.677 . . . . 155.62 112.829 -164.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.9 165.12 29.24 Favored Glycine 0 C--N 1.351 1.368 0 N-CA-C 110.498 -1.041 . . . . 52.87 110.498 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG13 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.5 OUTLIER -124.41 142.29 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.904 0 C-N-CA 126.001 1.72 . . . . 127.12 107.536 178.774 . . . . . . . . 4 4 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -92.37 128.17 38.12 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.709 -1.589 . . . . 134.55 106.709 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.569 ' HD3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.68 -20.59 62.68 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.641 1.576 . . . . 145.62 114.726 -178.967 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.46 -40.62 70.19 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 127.641 2.376 . . . . 115.07 115.493 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -12.94 15.25 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.349 -1.47 . . . . 103.56 109.919 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 63.32 46.41 4.47 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.109 2.564 . . . . 168.39 111.759 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.97 162.68 31.39 Favored 'General case' 0 N--CA 1.417 -2.121 0 C-N-CA 128.633 2.773 . . . . 71.7 109.19 -170.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.527 ' H ' ' HE1' ' A' ' 1' ' ' MET 0.266 8.9 pt -95.23 140.92 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 1 C-N-CA 134.106 4.963 . . . . 171.51 115.874 -173.016 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -111.66 130.77 55.66 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 103.333 -2.84 . . . . 75.12 103.333 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 145.1 50.88 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.449 -1.315 . . . . 127.79 107.449 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.1 t -106.62 123.24 47.82 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 103.907 -2.627 . . . . 189.29 103.907 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.457 HG13 ' H ' ' A' ' 40' ' ' ARG 0.379 11.7 m -49.23 -17.64 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 N-CA-C 127.552 6.13 . . . . 139.9 127.552 -167.081 . . . . . . . . 4 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -81.54 -42.31 20.36 Favored 'General case' 0 C--N 1.329 -0.322 1 C-N-CA 133.215 4.606 . . . . 366.01 118.914 -163.476 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 90.3 11.32 0.06 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.384 3.074 . . . . 200.7 114.746 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -139.08 160.95 38.57 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 126.754 2.022 . . . . 433.73 107.288 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.98 163.05 21.26 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 126.599 1.96 . . . . 485.87 113.298 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -122.65 -141.28 0.32 Allowed 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.764 -1.21 . . . . 128.36 108.685 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.66 16.74 1.99 Allowed 'General case' 0 C--N 1.361 1.092 0 O-C-N 120.004 -1.685 . . . . 324.71 111.773 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -146.78 15.09 1.21 Allowed 'General case' 0 C--N 1.348 0.512 0 N-CA-C 106.115 -1.809 . . . . 295.51 106.115 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 178.34 158.37 0.49 Allowed 'General case' 0 C--N 1.361 1.083 0 N-CA-C 102.736 -3.061 . . . . 223.82 102.736 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.263 1.768 0 CA-C-N 120.64 1.564 . . . . 123.21 107.975 -178.407 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.709 ' HE3' ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.562 0 N-CA-C 106.794 -1.558 . . . . 107.41 106.794 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.449 ' CZ ' HG13 ' A' ' 69' ' ' VAL . 37.5 t80 -49.75 -34.71 19.88 Favored 'General case' 0 CA--C 1.469 -2.171 1 C-N-CA 135.628 5.571 . . . . 254.42 115.52 -176.808 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -50.84 -49.93 57.84 Favored 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 124.479 1.112 . . . . 212.44 113.249 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -80.01 -52.74 7.46 Favored 'General case' 0 C--N 1.378 1.836 1 C-N-CA 131.997 4.119 . . . . 205.99 116.634 163.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 40.9 t90 -52.63 -32.05 39.85 Favored 'General case' 0 C--N 1.373 1.593 1 C-N-CA 133.269 4.628 . . . . 104.03 116.28 -174.616 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.89 -31.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 C-N-CA 130.786 3.634 . . . . 55.88 114.189 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.32 -30.62 64.94 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.19 1.796 . . . . 50.11 114.559 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 tp -96.42 -39.78 9.42 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 115.923 1.823 . . . . 125.51 115.923 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -102.41 145.32 29.7 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 120.669 -1.269 . . . . 70.45 114.312 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -106.89 154.6 20.8 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-O 123.674 1.702 . . . . 60.0 115.476 -173.555 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.78 125.5 28.26 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.035 -1.666 . . . . 147.71 109.499 165.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.65 -4.76 39.94 Favored Glycine 0 C--N 1.36 1.889 0 C-N-CA 123.916 0.769 . . . . 37.09 114.14 -162.614 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.5 161.37 16.26 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.81 1.644 . . . . 38.88 108.627 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.66 135.42 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 119.611 -1.931 . . . . 122.0 111.974 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.41 151.64 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.608 0 O-C-N 119.42 -2.05 . . . . 142.55 106.1 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 p -95.53 127.28 41.43 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.051 0.453 . . . . 78.3 110.049 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.07 151.18 17.07 Favored Glycine 0 CA--C 1.475 -2.466 0 N-CA-C 110.184 -1.166 . . . . 132.34 110.184 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.255 22.7 pttm -110.94 130.06 55.7 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 125.208 1.403 . . . . 178.17 114.161 -175.674 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.34 128.46 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 115.964 1.838 . . . . 110.83 115.964 -171.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.9 p -129.84 -54.1 1.14 Allowed 'General case' 0 C--N 1.369 1.438 0 N-CA-C 118.265 2.691 . . . . 113.29 118.265 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.72 134.01 36.69 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 104.556 -2.387 . . . . 71.12 104.556 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.23 141.03 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 115.863 1.801 . . . . 135.68 115.863 -169.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.432 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.262 1.4 m-20 -105.87 169.32 8.55 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.19 2.596 . . . . 141.25 104.806 170.117 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.09 70.88 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.348 -2.095 . . . . 271.48 116.555 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -107.45 -0.12 22.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.241 2.616 . . . . 310.7 110.491 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.432 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -111.94 145.03 17.81 Favored Glycine 0 CA--C 1.473 -2.538 0 C-N-CA 124.477 1.037 . . . . 87.6 114.218 -162.524 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.74 136.69 29.17 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.222 -2.14 . . . . 79.41 105.222 165.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 118.61 37.24 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 107.429 -1.323 . . . . 62.25 107.429 172.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.78 144.57 13.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.876 -1.157 . . . . 93.73 107.876 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -87.19 126.19 34.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.256 1.503 . . . . 111.65 111.248 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.95 -31.28 7.2 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 128.935 2.894 . . . . 122.61 109.906 -175.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.263 . . 96.71 163.98 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.738 3.215 . . . . 108.78 116.286 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . 0.257 7.7 t70 84.46 10.7 0.38 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 131.123 3.769 . . . . 249.36 110.67 -173.721 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.69 -30.82 7.8 Favored Glycine 0 C--N 1.363 2.065 0 C-N-CA 125.676 1.608 . . . . 261.8 113.785 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -92.74 143.05 12.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 126.699 2.0 . . . . 162.68 111.514 -178.196 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.67 155.16 29.31 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 128.717 2.807 . . . . 124.5 110.317 -173.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -117.06 -161.67 12.32 Favored Glycine 0 C--N 1.368 2.34 0 CA-C-N 118.783 0.719 . . . . 66.69 111.366 175.329 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . 0.251 0.2 OUTLIER -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 119.141 3.015 . . . . 130.64 119.141 -172.559 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.413 ' HA ' HG22 ' A' ' 80' ' ' VAL . 9.3 tt -130.03 114.63 16.03 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.245 -1.391 . . . . 173.09 107.245 171.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -81.48 135.53 35.62 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.717 1.607 . . . . 234.38 113.738 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.13 -25.91 63.7 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.801 1.64 . . . . 67.0 115.05 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -68.96 -18.77 64.12 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 128.788 2.835 . . . . 92.06 115.042 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.65 -38.18 5.24 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.345 1.858 . . . . 241.64 112.143 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 96.45 4.29 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.373 2.269 . . . . 115.06 113.253 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.548 ' HA ' ' H ' ' A' ' 52' ' ' ALA . 11.0 m 167.01 -155.87 0.0 OUTLIER 'General case' 0 C--N 1.36 1.058 1 N-CA-C 99.986 -4.079 . . . . 89.7 99.986 -177.753 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 tpt85 -154.77 55.8 0.67 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 105.757 -1.942 . . . . 131.17 105.757 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 83.23 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.131 2.573 . . . . 115.97 110.607 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.271 26.4 mmm180 69.35 -119.5 0.14 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.54 2.336 . . . . 295.16 114.068 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.9 t -114.56 -94.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 106.37 -1.715 . . . . 224.7 106.37 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -112.89 128.97 56.61 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 109.408 -0.59 . . . . 111.84 109.408 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.318 1.9 m-20 -118.51 -111.84 0.34 Allowed 'General case' 0 CA--C 1.482 -1.647 2 C-N-CA 134.042 4.937 . . . . 210.5 98.216 172.68 . . . . . . . . 3 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . 0.548 ' H ' ' HA ' ' A' ' 45' ' ' SER . . . -46.96 -13.57 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 119.165 3.024 . . . . 72.77 119.165 172.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -39.49 39.61 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.632 2.015 . . . . 87.74 110.737 168.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.65 -42.04 20.55 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.355 1.862 . . . . 161.64 115.165 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.514 0.9 OUTLIER -112.97 17.62 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.888 0 N-CA-C 116.444 2.016 . . . . 155.98 116.444 -173.013 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.415 HD12 ' CB ' ' A' ' 52' ' ' ALA . 2.5 mp -131.67 133.62 45.07 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 112.762 -3.575 . . . . 155.03 106.011 161.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.0 p -93.59 161.6 14.29 Favored 'General case' 0 N--CA 1.444 -0.725 1 C-N-CA 132.814 4.446 . . . . 156.32 118.287 -172.263 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.33 128.26 18.72 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 C-N-CA 132.242 4.217 . . . . 268.83 112.658 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.61 83.88 Favored Glycine 0 C--N 1.358 1.78 0 C-N-CA 128.05 2.738 . . . . 172.39 114.521 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -97.12 140.18 32.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.774 1.629 . . . . 159.43 107.667 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.9 150.06 28.25 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.804 2.149 . . . . 194.78 116.804 -173.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.56 156.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 127.001 2.12 . . . . 166.4 107.559 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.83 125.86 39.76 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.175 2.19 . . . . 114.41 112.701 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.9 171.03 14.06 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 105.827 -1.916 . . . . 105.33 105.827 -169.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -99.05 135.76 39.99 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.295 -1.743 . . . . 93.58 106.295 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.7 105.33 17.31 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 105.038 -2.208 . . . . 129.39 105.038 -176.737 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.3 t -150.04 15.97 0.84 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 116.788 2.144 . . . . 155.62 116.788 -167.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.24 136.28 4.08 Favored Glycine 0 C--N 1.351 1.364 0 N-CA-C 109.948 -1.261 . . . . 52.87 109.948 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG13 ' CZ ' ' A' ' 2' ' ' PHE 0.436 0.5 OUTLIER -128.33 143.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 119.902 -1.94 . . . . 127.12 112.388 -179.721 . . . . . . . . 4 4 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -95.13 126.66 40.61 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.944 -1.502 . . . . 134.55 106.944 170.398 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -70.54 -25.93 63.33 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.526 1.93 . . . . 145.62 114.637 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -81.36 -31.68 33.27 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.222 2.609 . . . . 115.07 113.27 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -99.55 -14.6 18.96 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.894 -1.129 . . . . 103.56 113.391 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 59.96 40.21 19.18 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.511 2.324 . . . . 168.39 112.919 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.31 33.12 Favored 'General case' 0 N--CA 1.419 -1.983 0 C-N-CA 128.825 2.85 . . . . 71.7 111.505 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.709 ' H ' ' HE3' ' A' ' 1' ' ' MET 0.422 1.5 pp -96.9 141.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 1 C-N-CA 137.425 6.29 . . . . 171.51 116.912 179.343 . . . . . . . . 4 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.1 m -110.62 136.59 49.48 Favored 'General case' 0 C--O 1.25 1.113 1 C-N-CA 132.659 4.384 . . . . 75.12 104.411 173.484 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 5.1 mt -129.7 146.93 51.44 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 123.25 1.5 . . . . 127.79 109.436 -177.3 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 p -106.52 122.21 45.84 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 105.145 -2.168 . . . . 189.29 105.145 169.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' A' ' 39' ' ' LEU 0.428 0.0 OUTLIER -50.09 -17.57 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 2 N-CA-C 126.079 5.585 . . . . 139.9 126.079 -166.001 . . . . . . . . 5 4 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -82.41 -34.39 28.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 131.141 3.776 . . . . 366.01 119.795 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 104.77 -55.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.101 0 C-N-CA 130.092 3.357 . . . . 200.7 107.908 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -167.46 163.23 14.88 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 102.099 -3.297 . . . . 433.73 102.099 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.06 71.96 0.81 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.425 1.49 . . . . 485.87 108.315 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -119.61 43.37 2.65 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.449 1.5 . . . . 128.36 109.538 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.264 . . 78.65 55.52 0.03 OUTLIER 'General case' 0 C--N 1.356 0.858 0 C-N-CA 127.354 2.262 . . . . 324.71 113.661 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.04 -37.48 8.97 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.255 1.822 . . . . 295.51 109.874 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -144.05 37.72 1.29 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.005 1.722 . . . . 223.82 108.508 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.491 0 N-CA-C 103.324 -2.843 . . . . 123.21 103.324 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.457 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 18.3 ptm . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 110.215 -0.291 . . . . 107.41 110.215 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.421 ' HB3' HG13 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -49.98 -28.88 7.5 Favored 'General case' 0 C--N 1.367 1.354 1 C-N-CA 131.919 4.087 . . . . 254.42 114.537 176.807 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -49.09 -34.24 13.43 Favored 'General case' 0 CA--C 1.59 2.483 0 C-N-CA 127.639 2.376 . . . . 212.44 112.355 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.24 -34.42 55.91 Favored 'General case' 0 C--N 1.371 1.539 1 C-N-CA 137.493 6.317 . . . . 205.99 116.554 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -33.69 65.71 Favored 'General case' 0 C--N 1.35 0.591 1 C-N-CA 133.945 4.898 . . . . 104.03 115.668 -171.616 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -50.61 -31.14 9.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 C-N-CA 130.977 3.711 . . . . 55.88 115.009 -176.154 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.98 64.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 129.141 2.976 . . . . 50.11 113.645 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -95.69 -39.69 9.76 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.966 1.307 . . . . 125.51 113.872 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.06 125.63 41.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 128.227 2.611 . . . . 70.45 110.407 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 142.85 27.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 130.42 3.488 . . . . 60.0 118.039 -175.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.91 143.94 47.53 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.879 3.272 . . . . 147.71 113.256 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.07 52.78 Favored Glycine 0 C--N 1.375 2.74 0 CA-C-O 123.079 1.377 . . . . 37.09 114.417 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.15 -173.41 2.31 Favored 'General case' 0 CA--C 1.497 -1.075 0 C-N-CA 129.845 3.258 . . . . 38.88 109.197 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -112.41 137.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 128.111 2.564 . . . . 122.0 111.855 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -135.3 145.36 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 103.117 -2.92 . . . . 142.55 103.117 -176.079 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 p -95.65 129.0 42.99 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.003 1.321 . . . . 78.3 109.105 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.25 167.36 29.02 Favored Glycine 0 C--N 1.368 2.323 0 C-N-CA 117.004 -2.522 . . . . 132.34 114.692 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.252 52.1 pttt -120.46 141.62 50.01 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 115.89 1.811 . . . . 178.17 115.89 -178.053 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.3 127.58 31.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.754 0 N-CA-C 114.119 1.155 . . . . 110.83 114.119 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 12.4 t -129.35 -7.49 4.74 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.026 -1.046 . . . . 113.29 113.424 -178.067 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.75 154.62 5.47 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.049 -2.204 . . . . 71.12 105.049 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -117.05 141.15 36.68 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-O 121.6 0.714 . . . . 135.68 109.403 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.448 ' HB2' ' HA3' ' A' ' 26' ' ' GLY 0.274 2.6 m-20 -106.18 168.69 8.97 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.094 -1.817 . . . . 141.25 106.094 174.571 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -39.13 78.7 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 119.571 -1.956 . . . . 271.48 114.983 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -106.43 0.66 24.98 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 128.863 2.865 . . . . 310.7 110.849 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.448 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -127.38 169.52 19.2 Favored Glycine 0 C--N 1.365 2.143 0 N-CA-C 119.5 2.56 . . . . 87.6 119.5 -158.211 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.06 24.44 Favored 'General case' 0 N--CA 1.427 -1.618 1 N-CA-C 99.606 -4.22 . . . . 79.41 99.606 168.018 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.92 120.81 42.71 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.145 -2.168 . . . . 62.25 105.145 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.27 139.95 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 C-N-CA 124.919 1.287 . . . . 93.73 111.29 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.33 115.93 29.48 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.613 1.965 . . . . 111.65 107.971 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -27.61 18.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 127.806 2.442 . . . . 122.61 111.854 -174.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.304 . . 89.31 176.07 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.727 2.411 . . . . 108.78 113.511 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.9 t70 73.23 3.79 4.72 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.114 2.166 . . . . 249.36 111.905 -171.118 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.99 7.79 56.03 Favored Glycine 0 C--N 1.365 2.157 0 C-N-CA 126.996 2.236 . . . . 261.8 113.234 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.287 0.8 OUTLIER -101.97 138.32 26.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 O-C-N 119.84 -1.976 . . . . 162.68 113.494 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.83 154.59 45.28 Favored 'General case' 0 C--N 1.37 1.482 0 O-C-N 120.122 -1.611 . . . . 124.5 110.768 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -160.67 9.67 Favored Glycine 0 C--N 1.37 2.463 0 CA-C-N 119.712 1.142 . . . . 66.69 113.429 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -105.35 139.16 40.41 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 128.252 2.621 . . . . 130.64 113.493 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.62 132.63 44.2 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 104.25 -2.5 . . . . 173.09 104.25 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 -79.49 141.81 36.39 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.155 -2.216 . . . . 234.38 115.019 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.83 -23.88 5.36 Favored 'General case' 0 C--N 1.374 1.631 1 C-N-CA 133.337 4.655 . . . . 67.0 118.566 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -19.72 61.04 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.209 1.404 . . . . 92.06 112.101 171.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 31.3 mt-10 34.61 56.29 0.7 Allowed 'General case' 0 C--N 1.376 1.749 1 C-N-CA 133.153 4.581 . . . . 241.64 118.157 174.547 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 79.19 -59.07 0.39 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.845 2.458 . . . . 115.06 110.606 -173.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.276 83.6 p 85.43 172.02 0.06 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 129.585 3.154 . . . . 89.7 114.661 176.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -145.08 141.35 28.76 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 102.908 -2.997 . . . . 131.17 102.908 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -83.9 62.98 7.3 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.873 1.669 . . . . 115.97 115.438 -173.127 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.11 -162.72 1.36 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 121.106 -0.996 . . . . 295.16 108.871 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.4 p -80.71 -23.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 C-N-CA 126.667 1.987 . . . . 224.7 112.606 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.64 130.25 56.63 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 101.383 -3.562 . . . . 111.84 101.383 169.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -107.17 -113.74 0.28 Allowed 'General case' 0 C--N 1.362 1.145 1 N-CA-C 98.663 -4.569 . . . . 210.5 98.663 177.79 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.81 -13.67 0.77 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 128.768 2.827 . . . . 72.77 116.476 166.426 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.63 -37.45 50.05 Favored 'General case' 0 C--N 1.371 1.515 0 O-C-N 119.697 -1.877 . . . . 87.74 114.288 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -83.22 -41.27 18.6 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 114.676 1.361 . . . . 161.64 114.676 168.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.48 1.3 p -112.63 17.11 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.577 0 N-CA-C 118.151 2.648 . . . . 155.98 118.151 -171.007 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.8 mp -133.17 133.82 43.3 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 112.495 -3.682 . . . . 155.03 107.941 159.72 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 m -111.5 160.62 16.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 109.996 -3.274 . . . . 156.32 111.64 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -75.44 122.55 29.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 127.694 2.397 . . . . 268.83 106.689 162.72 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -3.28 40.83 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 120.977 -1.077 . . . . 172.39 112.219 -168.322 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.73 143.99 34.04 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.076 1.75 . . . . 159.43 106.618 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -112.35 153.93 26.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 117.68 2.474 . . . . 194.78 117.68 -173.091 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.8 t -140.24 152.87 21.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 103.76 -2.681 . . . . 166.4 103.76 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -95.62 132.06 41.17 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 107.856 -1.164 . . . . 114.41 107.856 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.93 169.31 15.96 Favored 'General case' 0 CA--C 1.475 -1.907 0 O-C-N 119.75 -1.844 . . . . 105.33 106.028 -168.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -99.04 140.66 32.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.424 -2.065 . . . . 93.58 105.424 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . 0.283 0.5 OUTLIER -95.87 102.53 14.33 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.474 -3.158 . . . . 129.39 102.474 -176.318 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.8 p -91.48 -62.15 1.5 Allowed 'General case' 0 C--N 1.384 2.072 0 N-CA-C 116.561 2.06 . . . . 155.62 116.561 -163.391 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.88 148.32 17.55 Favored Glycine 0 CA--C 1.491 -1.446 0 N-CA-C 106.028 -2.829 . . . . 52.87 106.028 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -122.14 142.16 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.387 -1.338 . . . . 127.12 107.387 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -97.37 128.59 44.32 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 121.229 -0.919 . . . . 134.55 111.111 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.08 -20.19 62.38 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.942 2.097 . . . . 145.62 116.034 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.26 -40.64 23.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.63 1.972 . . . . 115.07 114.594 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -12.49 15.42 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 121.275 -0.89 . . . . 103.56 110.077 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 62.73 49.28 3.83 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.973 2.909 . . . . 168.39 114.942 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.457 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -134.51 163.02 30.66 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 126.958 2.103 . . . . 71.7 112.029 -176.35 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.421 HG13 ' HB3' ' A' ' 2' ' ' PHE . 1.3 pp -95.41 137.45 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 1 C-N-CA 132.608 4.363 . . . . 171.51 113.046 177.838 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -113.99 123.1 48.9 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 129.61 3.164 . . . . 75.12 104.358 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -113.67 144.71 42.47 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.665 -1.605 . . . . 127.79 106.665 -179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -107.58 145.43 33.24 Favored 'General case' 0 C--O 1.205 -1.266 0 N-CA-C 103.343 -2.836 . . . . 189.29 103.343 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.289 11.1 m -49.12 -15.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 1 N-CA-C 125.589 5.403 . . . . 139.9 125.589 -177.44 . . . . . . . . 3 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -58.97 -21.75 59.1 Favored 'General case' 0 C--N 1.327 -0.389 2 C-N-CA 132.142 4.177 . . . . 366.01 121.958 -146.074 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.54 -31.5 0.19 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.813 2.445 . . . . 200.7 115.546 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.5 mttp 170.09 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.348 0.517 0 C-N-CA 131.451 3.9 . . . . 433.73 101.588 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.4 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.347 0.458 0 N-CA-C 102.645 -3.095 . . . . 485.87 102.645 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.66 -172.47 4.07 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 101.995 -3.335 . . . . 128.36 101.995 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.51 155.08 45.0 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 105.683 -1.969 . . . . 324.71 105.683 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.327 60.3 m-20 105.89 -15.86 0.01 OUTLIER 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.732 2.813 . . . . 295.51 111.319 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -102.84 -0.24 31.61 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.89 1.676 . . . . 223.82 109.012 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt . . . . . 0 C--O 1.261 1.695 1 C-N-CA 132.219 4.208 . . . . 123.21 101.16 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.552 ' HE3' ' H ' ' A' ' 76' ' ' ILE . 3.9 ptm . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.222 0.823 . . . . 107.41 113.222 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.478 ' CG ' HG22 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -66.85 -30.86 71.14 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.209 1.404 . . . . 254.42 111.999 178.243 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -32.62 11.32 Favored 'General case' 0 CA--C 1.592 2.587 0 C-N-CA 128.158 2.583 . . . . 212.44 113.494 -160.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -77.71 -50.32 12.65 Favored 'General case' 0 C--N 1.369 1.45 1 C-N-CA 138.223 6.609 . . . . 205.99 116.456 172.139 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.493 ' CD1' HG23 ' A' ' 35' ' ' VAL 0.263 0.2 OUTLIER -52.83 -31.87 41.34 Favored 'General case' 0 C--N 1.353 0.742 1 C-N-CA 135.007 5.323 . . . . 104.03 118.959 -177.158 . . . . . . . . 5 4 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -49.02 -30.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 C-N-CA 130.987 3.715 . . . . 55.88 114.237 -176.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.3 72.48 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 129.748 3.219 . . . . 50.11 115.45 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 tp -96.0 -40.55 9.2 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 119.589 3.181 . . . . 125.51 119.589 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -127.61 158.04 38.59 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 119.724 -1.86 . . . . 70.45 112.534 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.26 147.55 26.92 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.36 1.464 . . . . 60.0 113.49 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -73.36 126.03 29.22 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 119.661 -1.899 . . . . 147.71 110.667 169.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -4.77 41.27 Favored Glycine 0 C--N 1.364 2.092 0 C-N-CA 125.021 1.295 . . . . 37.09 113.223 -164.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.29 164.99 12.07 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 125.608 1.563 . . . . 38.88 108.58 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.25 0.1 OUTLIER -116.75 136.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 127.264 2.225 . . . . 122.0 112.707 -174.809 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.0 165.76 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.3 0 N-CA-C 104.802 -2.296 . . . . 142.55 104.802 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.8 p -111.55 128.1 55.92 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 120.775 -1.203 . . . . 78.3 108.052 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.83 164.36 17.07 Favored Glycine 0 CA--C 1.483 -1.942 0 C-N-CA 121.114 -0.565 . . . . 132.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.34 135.89 53.53 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.866 2.066 . . . . 178.17 115.248 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.5 p -66.81 131.45 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 117.031 2.234 . . . . 110.83 117.031 -178.566 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -127.4 -44.64 1.54 Allowed 'General case' 0 C--N 1.368 1.395 0 N-CA-C 118.174 2.657 . . . . 113.29 118.174 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.27 7.81 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.827 -2.286 . . . . 71.12 104.827 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.19 146.98 20.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 116.868 2.173 . . . . 135.68 116.868 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.413 ' HB2' ' HA3' ' A' ' 26' ' ' GLY . 5.7 m-20 -106.06 169.91 8.22 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 128.009 2.524 . . . . 141.25 106.401 176.226 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.56 45.61 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.996 2.221 . . . . 271.48 116.996 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 0.19 23.02 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 128.097 2.559 . . . . 310.7 111.102 169.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.413 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -106.91 151.78 16.88 Favored Glycine 0 C--N 1.368 2.346 0 C-N-CA 126.621 2.058 . . . . 87.6 114.329 -165.287 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.46 137.61 30.43 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 101.173 -3.639 . . . . 79.41 101.173 167.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.23 55.5 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.845 -1.909 . . . . 62.25 105.845 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.99 137.73 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 106.403 -1.702 . . . . 93.73 106.403 -172.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -92.64 124.76 36.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.301 1.84 . . . . 111.65 107.7 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -103.38 -2.35 27.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 128.812 2.845 . . . . 122.61 115.004 -167.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.266 . . 75.2 140.58 0.07 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 118.917 2.932 . . . . 108.78 118.917 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 90.67 9.54 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 129.582 3.153 . . . . 249.36 108.347 -172.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.92 35.21 6.47 Favored Glycine 0 C--N 1.365 2.19 0 C-N-CA 126.248 1.88 . . . . 261.8 110.996 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . 0.493 HG23 ' CD1' ' A' ' 5' ' ' TRP . 21.2 t -110.63 145.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 C-N-CA 128.183 2.593 . . . . 162.68 112.208 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.423 ' H ' ' HB2' ' A' ' 1' ' ' MET . 46.6 mt-10 -127.65 154.95 44.66 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 126.977 2.111 . . . . 124.5 112.236 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.85 -152.35 6.19 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.18 -1.568 . . . . 66.69 109.18 165.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -111.11 138.73 47.17 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 119.165 3.024 . . . . 130.64 119.165 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 8.1 tt -114.38 110.02 19.24 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 106.337 -1.727 . . . . 173.09 106.337 168.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -81.33 135.13 35.67 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 124.967 1.307 . . . . 234.38 112.568 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.41 76.94 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 124.875 1.27 . . . . 67.0 113.2 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -63.0 -19.79 64.68 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 128.169 2.588 . . . . 92.06 116.416 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -104.95 -48.97 3.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.953 1.301 . . . . 241.64 113.662 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.69 14.33 3.16 Favored 'General case' 0 C--N 1.363 1.16 0 CA-C-N 120.013 1.279 . . . . 115.06 114.197 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -157.56 77.03 0.83 Allowed 'General case' 0 C--N 1.365 1.264 0 O-C-N 118.471 -2.643 . . . . 89.7 114.647 -174.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -146.99 106.77 3.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.752 -1.944 . . . . 131.17 105.752 173.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.88 -35.59 8.55 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 123.575 0.75 . . . . 115.97 109.937 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -158.72 -125.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.767 0 N-CA-C 104.687 -2.338 . . . . 295.16 104.687 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.16 1.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 127.444 2.298 . . . . 224.7 110.822 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -115.17 131.67 56.85 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 130.411 3.484 . . . . 111.84 104.667 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.47 -114.17 0.29 Allowed 'General case' 0 C--N 1.363 1.16 1 N-CA-C 98.989 -4.449 . . . . 210.5 98.989 178.857 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -13.13 2.19 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 129.838 3.255 . . . . 72.77 115.326 168.225 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.6 p -76.97 -36.75 56.26 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 119.247 -2.158 . . . . 87.74 114.161 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.43 -41.09 20.31 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 115.77 1.767 . . . . 161.64 115.77 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.363 3.3 p -119.67 16.64 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.028 0 N-CA-C 116.955 2.206 . . . . 155.98 116.955 -171.259 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.0 mp -133.94 134.33 42.46 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 112.173 -3.811 . . . . 155.03 108.35 162.264 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -98.54 138.64 35.46 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 110.768 -2.924 . . . . 156.32 106.715 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 60.3 t -60.51 125.66 17.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.36 2.264 . . . . 268.83 114.873 -175.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.19 -3.62 64.34 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 124.778 1.18 . . . . 172.39 113.868 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.43 129.68 34.77 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 126.302 1.841 . . . . 159.43 108.451 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -95.72 153.55 17.68 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 119.527 3.158 . . . . 194.78 119.527 -168.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.7 162.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.155 2.182 . . . . 166.4 107.153 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -94.86 132.77 39.31 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.244 1.818 . . . . 114.41 109.121 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.77 168.93 18.14 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.872 -1.899 . . . . 105.33 105.872 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -101.34 131.25 47.5 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.932 1.693 . . . . 93.58 107.075 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.63 104.93 16.96 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.576 -3.12 . . . . 129.39 102.576 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.1 m -108.92 -50.45 3.01 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 114.42 1.267 . . . . 155.62 114.42 -160.618 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.86 173.96 41.49 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.369 -0.832 . . . . 52.87 112.305 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.351 0.3 OUTLIER -126.19 141.89 44.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.199 0 C-N-CA 127.224 2.209 . . . . 127.12 110.33 179.42 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -95.04 128.15 41.65 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.154 -1.054 . . . . 134.55 108.154 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.4 mtt-85 -70.27 -21.85 62.92 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 128.455 2.702 . . . . 145.62 116.573 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.02 -35.66 31.62 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.882 2.073 . . . . 115.07 112.969 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.15 -14.42 15.39 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 121.532 -0.73 . . . . 103.56 112.969 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 54.22 42.1 31.67 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.877 3.271 . . . . 168.39 114.677 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . 0.424 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -135.03 165.65 24.86 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 130.005 3.322 . . . . 71.7 109.442 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.552 ' H ' ' HE3' ' A' ' 1' ' ' MET 0.253 16.8 pt -93.9 139.36 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.81 1 C-N-CA 132.039 4.136 . . . . 171.51 114.353 -176.822 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -110.9 115.81 30.15 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 131.465 3.906 . . . . 75.12 100.991 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.2 pp -138.39 140.78 39.52 Favored 'General case' 0 CA--C 1.458 -2.563 0 N-CA-C 101.839 -3.393 . . . . 127.79 101.839 -179.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.31 144.55 32.84 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 105.999 -1.852 . . . . 189.29 105.999 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.439 0.0 OUTLIER -51.13 -15.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 1 N-CA-C 123.507 4.632 . . . . 139.9 123.507 178.021 . . . . . . . . 4 3 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.13 -42.38 21.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 131.166 3.786 . . . . 366.01 119.437 -157.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 70.68 -45.47 0.6 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.795 2.438 . . . . 200.7 115.95 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -130.24 -147.44 0.33 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.372 2.269 . . . . 433.73 108.299 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.74 -155.21 0.58 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.121 1.768 . . . . 485.87 108.183 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -155.41 -176.71 6.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 104.895 -2.261 . . . . 128.36 104.895 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.7 131.18 53.95 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.098 0.951 . . . . 324.71 109.393 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -174.46 -46.54 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 N-CA-C 104.518 -2.401 . . . . 295.51 104.518 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -135.53 74.71 1.52 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 106.957 -1.497 . . . . 223.82 106.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm . . . . . 0 C--O 1.257 1.491 0 N-CA-C 104.106 -2.553 . . . . 123.21 104.106 -179.52 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.415 ' CE ' ' HB3' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 108.87 -0.789 . . . . 107.41 108.87 . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . 0.453 ' HA ' ' HB3' ' A' ' 5' ' ' TRP . 35.4 t80 -50.96 -39.91 56.26 Favored 'General case' 0 C--N 1.366 1.31 1 C-N-CA 132.785 4.434 . . . . 254.42 112.381 173.788 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -50.49 -43.61 55.67 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.646 1.578 . . . . 212.44 114.394 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -79.23 -52.76 7.71 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.385 3.474 . . . . 205.99 115.73 164.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . 0.453 ' HB3' ' HA ' ' A' ' 2' ' ' PHE 0.262 60.4 t90 -54.77 -32.93 60.71 Favored 'General case' 0 C--N 1.373 1.6 1 C-N-CA 133.818 4.847 . . . . 104.03 116.228 -176.065 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.21 -30.85 7.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 C-N-CA 131.49 3.916 . . . . 55.88 114.836 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.99 71.69 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 125.954 1.702 . . . . 50.11 113.565 172.245 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.8 tp -95.64 -40.29 9.48 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 114.24 1.2 . . . . 125.51 114.24 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.23 126.37 42.62 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 125.516 1.526 . . . . 70.45 114.879 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.37 158.19 17.06 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 131.426 3.89 . . . . 60.0 112.178 175.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.13 145.3 7.91 Favored 'General case' 0 C--N 1.366 1.287 1 C-N-CA 132.263 4.225 . . . . 147.71 117.601 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.71 40.32 Favored Glycine 0 C--N 1.371 2.496 0 C-N-CA 125.979 1.752 . . . . 37.09 112.295 -167.255 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.3 164.86 13.71 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 127.959 2.504 . . . . 38.88 109.086 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.312 2.9 pt -116.6 137.74 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 C-N-CA 126.691 1.996 . . . . 122.0 112.983 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.85 149.89 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.478 0 N-CA-C 104.485 -2.413 . . . . 142.55 104.485 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.2 m -107.17 128.2 54.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 102.631 -3.1 . . . . 78.3 102.631 167.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.14 168.08 30.72 Favored Glycine 0 CA--C 1.479 -2.174 0 C-N-CA 116.621 -2.704 . . . . 132.34 114.409 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -110.06 137.73 47.42 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 117.881 2.548 . . . . 178.17 117.881 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 21.8 t -68.5 129.05 32.85 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 114.003 -1.453 . . . . 110.83 114.388 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 24.8 p -133.15 -7.93 3.01 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.105 1.762 . . . . 113.29 112.472 176.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -160.66 154.62 22.77 Favored 'General case' 0 C--N 1.364 1.215 0 N-CA-C 104.14 -2.541 . . . . 71.12 104.14 -176.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.61 142.33 32.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.413 1.085 . . . . 135.68 113.906 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.55 166.9 10.22 Favored 'General case' 0 C--N 1.37 1.489 0 N-CA-C 104.621 -2.363 . . . . 141.25 104.621 171.746 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.98 82.14 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.127 -2.233 . . . . 271.48 114.731 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -106.13 1.61 26.39 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.148 2.979 . . . . 310.7 111.644 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.35 170.93 20.19 Favored Glycine 0 C--N 1.371 2.478 0 C-N-CA 126.009 1.766 . . . . 87.6 117.37 -158.381 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . 0.33 . . -141.81 137.05 31.23 Favored 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 102.445 -3.169 . . . . 79.41 102.445 168.441 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 27.3 m -99.89 118.14 35.69 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.307 2.243 . . . . 62.25 104.988 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.445 ' HB ' ' HB3' ' A' ' 39' ' ' LEU . 0.4 OUTLIER -102.22 142.31 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 C-N-CA 125.536 1.534 . . . . 93.73 110.567 -168.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 10.6 tp10 -94.85 123.47 38.33 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 122.959 1.361 . . . . 111.65 110.199 173.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 1.9 mt -117.23 -19.83 9.47 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 128.279 2.632 . . . . 122.61 109.381 -178.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 81.44 167.2 0.14 Allowed 'General case' 0 C--N 1.371 1.522 0 N-CA-C 118.9 2.926 . . . . 108.78 118.9 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t70 84.53 20.83 0.13 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 130.033 3.333 . . . . 249.36 109.04 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.41 6.47 Favored Glycine 0 C--N 1.371 2.516 0 C-N-CA 125.942 1.734 . . . . 261.8 114.209 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.42 137.17 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 128.195 2.598 . . . . 162.68 113.919 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 24.7 mt-10 -127.2 154.64 44.57 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.135 2.574 . . . . 124.5 111.667 -173.133 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.79 -161.17 10.69 Favored Glycine 0 N--CA 1.486 1.978 0 CA-C-O 118.526 -1.152 . . . . 66.69 115.723 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . 0.402 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 18.7 m-85 -106.81 115.42 30.16 Favored 'General case' 0 C--N 1.379 1.854 0 C-N-CA 126.069 1.748 . . . . 130.64 114.896 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.445 ' HB3' ' HB ' ' A' ' 29' ' ' VAL . 1.9 tm? -138.64 107.64 6.01 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 106.708 -1.59 . . . . 173.09 106.708 170.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.73 134.45 35.13 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.418 2.687 . . . . 234.38 105.638 160.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.45 20.48 Favored 'General case' 0 N--CA 1.476 0.828 1 N-CA-C 121.846 4.017 . . . . 67.0 121.846 -171.32 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -81.01 -42.39 21.2 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 116.994 2.22 . . . . 92.06 116.994 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.607 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 5.8 pt-20 -171.54 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.758 0 N-CA-C 105.639 -1.986 . . . . 241.64 105.639 -176.122 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . 0.607 ' H ' ' HG3' ' A' ' 43' ' ' GLU . . . -115.77 -125.72 0.29 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 105.218 -2.141 . . . . 115.06 105.218 171.615 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 t 176.77 -148.29 0.01 OUTLIER 'General case' 0 C--N 1.359 1.021 1 N-CA-C 99.626 -4.213 . . . . 89.7 99.626 176.417 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -58.33 72.65 0.01 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.762 3.225 . . . . 131.17 116.416 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -110.13 35.06 3.55 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 128.355 2.662 . . . . 115.97 110.65 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.32 87.0 mtm180 102.01 11.67 0.01 OUTLIER 'General case' 0 C--N 1.365 1.241 0 C-N-CA 130.468 3.507 . . . . 295.16 113.014 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.27 155.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 100.889 -3.745 . . . . 224.7 100.889 176.333 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -80.96 129.57 34.6 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 108.793 -0.818 . . . . 111.84 108.793 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -120.21 -113.87 0.33 Allowed 'General case' 0 CA--C 1.484 -1.568 1 N-CA-C 98.919 -4.475 . . . . 210.5 98.919 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.285 . . -48.46 -10.56 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 119.953 3.316 . . . . 72.77 119.953 169.828 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -62.26 -34.76 77.17 Favored 'General case' 0 C--N 1.367 1.35 0 CA-C-N 124.818 3.463 . . . . 87.74 118.361 -170.406 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 tp -82.11 -35.19 28.81 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 122.667 1.222 . . . . 161.64 114.026 167.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.499 9.9 p -97.33 18.96 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.117 1 C-N-CA 132.842 4.457 . . . . 155.98 116.118 -173.492 . . . . . . . . 3 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.54 132.17 43.95 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 100.747 -3.797 . . . . 155.03 100.747 157.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -112.35 151.78 29.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 C-N-CA 127.041 2.136 . . . . 156.32 106.353 173.291 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -75.65 122.35 29.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 126.566 1.946 . . . . 268.83 107.176 168.46 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.44 -2.89 42.95 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 121.164 -0.96 . . . . 172.39 112.64 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -102.68 141.5 35.39 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 105.899 -1.889 . . . . 159.43 105.899 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -119.0 133.08 56.05 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.343 1.457 . . . . 194.78 112.96 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . 0.251 5.0 t -140.54 164.83 21.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.209 0 C-N-CA 129.532 3.133 . . . . 166.4 108.2 -174.727 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -94.3 130.63 40.51 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 128.821 2.849 . . . . 114.41 117.745 -175.499 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -135.9 170.37 16.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.578 -1.326 . . . . 105.33 108.287 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -99.93 133.26 44.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 127.569 2.348 . . . . 93.58 108.864 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.81 108.99 21.01 Favored 'General case' 0 C--N 1.366 1.312 0 N-CA-C 105.478 -2.045 . . . . 129.39 105.478 -173.606 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 t -148.59 5.29 0.7 Allowed 'General case' 0 C--N 1.38 1.914 0 N-CA-C 116.981 2.215 . . . . 155.62 116.981 -161.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 135.68 3.78 Favored Glycine 0 C--N 1.349 1.292 0 N-CA-C 109.496 -1.442 . . . . 52.87 109.496 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.43 HG12 ' CZ ' ' A' ' 2' ' ' PHE 0.341 1.2 m -127.67 142.6 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 120.031 -1.864 . . . . 127.12 109.727 178.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -95.06 126.93 40.73 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.537 -0.912 . . . . 134.55 108.537 175.297 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -70.56 -17.36 62.92 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.485 1.914 . . . . 145.62 115.834 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -81.35 -34.4 31.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.043 2.537 . . . . 115.07 113.154 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.22 -14.89 15.0 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 120.553 -1.342 . . . . 103.56 112.808 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 56.58 42.65 26.87 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 129.374 3.07 . . . . 168.39 112.615 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.56 162.74 31.1 Favored 'General case' 0 N--CA 1.417 -2.077 0 C-N-CA 128.773 2.829 . . . . 71.7 108.878 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.417 HG22 ' CD2' ' A' ' 2' ' ' PHE 0.317 0.5 OUTLIER -95.54 141.25 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 1 C-N-CA 134.8 5.24 . . . . 171.51 117.227 -172.834 . . . . . . . . 5 4 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.9 m -113.16 129.55 56.48 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 131.364 3.866 . . . . 75.12 102.695 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.402 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -124.76 145.11 49.9 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.33 -1.359 . . . . 127.79 107.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 m -107.12 145.01 33.0 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 104.232 -2.507 . . . . 189.29 104.232 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . . 8.7 p -47.96 -16.21 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.427 2 N-CA-C 123.269 4.544 . . . . 139.9 123.269 -172.211 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -62.41 -42.28 99.32 Favored 'General case' 0 C--N 1.319 -0.734 2 C-N-CA 133.175 4.59 . . . . 366.01 122.88 -148.186 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 72.93 -52.67 0.71 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.202 2.201 . . . . 200.7 113.852 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -123.62 -160.94 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.833 2.053 . . . . 433.73 108.947 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.9 t70 77.08 78.81 0.08 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.573 1.949 . . . . 485.87 113.424 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -133.12 141.52 48.21 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.345 -1.724 . . . . 128.36 106.345 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.289 . . 76.98 -41.34 0.39 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.626 2.371 . . . . 324.71 116.878 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -85.88 28.38 0.8 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.018 1.727 . . . . 295.51 112.994 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -153.78 45.95 0.62 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 105.606 -1.998 . . . . 223.82 105.606 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt . . . . . 0 C--O 1.257 1.463 0 C-N-CA 128.569 2.748 . . . . 123.21 103.622 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.646 ' HE3' ' H ' ' A' ' 76' ' ' ILE . 7.8 ttp . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 108.946 -0.761 . . . . 107.41 108.946 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.458 0.0 OUTLIER -65.99 -29.41 69.78 Favored 'General case' 0 C--N 1.384 2.079 0 C-N-CA 125.346 1.458 . . . . 254.42 109.861 167.34 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -33.21 14.75 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 129.042 2.937 . . . . 212.44 112.396 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -78.41 -53.04 7.69 Favored 'General case' 0 C--N 1.378 1.813 1 C-N-CA 132.484 4.314 . . . . 205.99 115.417 166.813 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -33.53 63.86 Favored 'General case' 0 C--N 1.362 1.137 1 C-N-CA 135.028 5.331 . . . . 104.03 116.274 -178.897 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -49.85 -30.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 1 C-N-CA 131.848 4.059 . . . . 55.88 114.823 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.27 -21.2 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.011 2.524 . . . . 50.11 114.925 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.0 mt -95.48 -39.75 9.82 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 117.076 2.25 . . . . 125.51 117.076 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.78 155.9 43.32 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.086 2.154 . . . . 70.45 115.001 -171.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.414 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -106.17 145.9 30.93 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.508 1.523 . . . . 60.0 113.214 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -72.45 145.73 47.39 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 131.646 3.978 . . . . 147.71 114.747 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.28 -3.85 40.61 Favored Glycine 0 C--N 1.374 2.689 0 C-N-CA 124.833 1.206 . . . . 37.09 113.184 -168.141 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.97 133.12 42.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 130.048 3.339 . . . . 38.88 105.792 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mm -89.72 133.92 30.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 125.573 1.549 . . . . 122.0 109.427 -172.679 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.01 149.79 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.404 0 N-CA-C 102.593 -3.114 . . . . 142.55 102.593 -168.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.32 9.0 t -110.05 129.89 55.62 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 123.175 1.464 . . . . 78.3 111.609 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.5 170.54 18.3 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 114.043 -1.435 . . . . 132.34 112.343 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 22.0 pttm -110.7 144.32 39.82 Favored 'General case' 0 CA--C 1.479 -1.779 0 N-CA-C 114.573 1.323 . . . . 178.17 114.573 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.274 21.5 t -84.68 124.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 124.445 1.098 . . . . 110.83 110.946 -177.718 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 64.6 p -119.0 -35.48 3.63 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 116.987 2.217 . . . . 113.29 116.987 -166.516 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.17 148.86 4.95 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 103.289 -2.856 . . . . 71.12 103.289 -173.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.4 m -117.36 146.78 21.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 114.964 1.468 . . . . 135.68 114.964 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.435 ' HB2' ' HA3' ' A' ' 26' ' ' GLY . 4.1 m-20 -105.82 169.21 8.61 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.908 2.083 . . . . 141.25 107.318 178.041 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.05 65.47 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.048 2.139 . . . . 271.48 115.8 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -106.7 0.05 23.98 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 128.282 2.633 . . . . 310.7 110.887 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.435 ' HA3' ' HB2' ' A' ' 23' ' ' ASP . . . -122.72 162.87 16.34 Favored Glycine 0 CA--C 1.476 -2.355 0 CA-C-O 124.349 2.083 . . . . 87.6 117.766 -154.699 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.34 131.96 25.54 Favored 'General case' 0 N--CA 1.424 -1.736 1 N-CA-C 98.385 -4.672 . . . . 79.41 98.385 170.091 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.72 129.07 54.67 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 104.082 -2.562 . . . . 62.25 104.082 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -114.23 144.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 C-N-CA 125.591 1.556 . . . . 93.73 108.473 -171.137 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 82.7 tt0 -103.92 118.03 35.72 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.471 1.509 . . . . 111.65 108.373 173.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.29 -20.58 28.18 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 128.626 2.77 . . . . 122.61 112.0 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 80.03 165.54 0.18 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.659 1.984 . . . . 108.78 115.364 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 73.92 7.0 4.89 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.961 2.104 . . . . 249.36 111.322 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.66 20.32 Favored Glycine 0 C--N 1.366 2.202 0 C-N-CA 126.943 2.211 . . . . 261.8 114.181 -174.55 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -103.34 134.08 45.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.663 1.585 . . . . 162.68 113.149 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -127.71 154.3 45.5 Favored 'General case' 0 C--N 1.372 1.558 0 O-C-N 119.762 -1.836 . . . . 124.5 111.075 172.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . 0.445 ' HA3' HD12 ' A' ' 78' ' ' LEU . . . -160.83 -154.26 7.32 Favored Glycine 0 C--N 1.367 2.29 0 N-CA-C 108.158 -1.977 . . . . 66.69 108.158 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.66 139.06 41.7 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 118.958 2.948 . . . . 130.64 118.958 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -124.89 127.31 46.91 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 120.02 -1.675 . . . . 173.09 108.88 172.783 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ARG . . . . . 0.41 ' H ' ' CG2' ' A' ' 80' ' ' VAL . 3.7 mpt_? -80.43 135.03 36.07 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.545 -1.972 . . . . 234.38 112.712 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.12 -30.92 65.54 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.989 2.115 . . . . 67.0 113.874 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p -78.79 -37.51 40.69 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 130.447 3.499 . . . . 92.06 115.296 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.68 -23.34 34.22 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 115.421 1.637 . . . . 241.64 115.421 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -111.52 78.94 1.16 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.213 1.405 . . . . 115.06 108.92 179.165 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.0 p -142.35 -97.12 0.12 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.193 -0.942 . . . . 89.7 113.04 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.265 16.9 ttt-85 89.04 39.53 0.01 OUTLIER 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.065 3.746 . . . . 131.17 113.052 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . 0.251 0.5 OUTLIER -148.07 -115.65 0.07 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.895 1.278 . . . . 115.97 111.597 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -156.78 -103.58 0.03 OUTLIER 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.12 -1.613 . . . . 295.16 114.594 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 t -52.73 -39.96 32.91 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 1 C-N-CA 132.403 4.281 . . . . 224.7 117.171 -173.254 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -111.07 130.77 55.5 Favored 'General case' 0 C--N 1.349 0.574 1 N-CA-C 96.145 -5.502 . . . . 111.84 96.145 169.211 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 -113.74 0.24 Allowed 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 100.974 -3.713 . . . . 210.5 100.974 -177.384 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -13.05 0.2 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 116.833 2.16 . . . . 72.77 116.833 164.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -26.07 56.65 Favored 'General case' 0 C--N 1.381 1.945 0 O-C-N 119.777 -1.827 . . . . 87.74 112.717 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.67 -42.32 22.25 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 116.643 2.09 . . . . 161.64 116.643 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.323 31.9 m -115.26 16.39 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.06 0 N-CA-C 115.797 1.777 . . . . 155.98 115.797 -177.333 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -131.81 132.79 44.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 113.368 -3.333 . . . . 155.03 108.537 168.272 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -104.28 160.48 14.85 Favored 'General case' 0 CA--C 1.506 -0.735 1 CA-C-N 107.838 -4.256 . . . . 156.32 109.35 174.797 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 p -74.61 121.66 26.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 120.737 -1.227 . . . . 268.83 108.828 169.33 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.64 40.3 Favored Glycine 0 C--N 1.361 1.966 0 O-C-N 121.408 -0.808 . . . . 172.39 113.132 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -95.74 133.28 40.03 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.359 1.464 . . . . 159.43 108.671 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -96.25 148.96 22.19 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.512 2.041 . . . . 194.78 116.512 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.37 158.39 28.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.058 -1.46 . . . . 166.4 107.058 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -105.06 127.95 53.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.142 1.777 . . . . 114.41 108.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.84 168.15 20.28 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 119.81 -1.806 . . . . 105.33 108.418 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 31.8 ttpt -100.92 117.43 34.97 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 107.461 -1.311 . . . . 93.58 107.461 -174.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.19 104.8 16.85 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 104.902 -2.258 . . . . 129.39 104.902 -170.524 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -129.17 -45.45 1.24 Allowed 'General case' 0 C--N 1.381 1.956 0 N-CA-C 117.375 2.361 . . . . 155.62 117.375 -161.36 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.44 162.99 24.09 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 119.48 1.036 . . . . 52.87 112.657 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.259 0.2 OUTLIER -127.45 141.8 45.36 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 C-N-CA 127.559 2.344 . . . . 127.12 106.644 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.19 126.94 35.69 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.327 -2.101 . . . . 134.55 105.327 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -70.04 -16.65 63.18 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.265 1.826 . . . . 145.62 115.859 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.214 2.206 . . . . 115.07 112.782 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.25 -14.63 15.3 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 121.257 -0.902 . . . . 103.56 112.326 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 54.45 42.44 31.37 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.566 3.547 . . . . 168.39 114.215 -173.312 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.51 163.87 28.43 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.385 2.274 . . . . 71.7 105.568 -173.138 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.646 ' H ' ' HE3' ' A' ' 1' ' ' MET . 1.3 pp -93.16 138.45 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 C-N-CA 131.878 4.071 . . . . 171.51 114.755 -169.377 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -113.51 116.84 30.2 Favored 'General case' 0 N--CA 1.434 -1.243 1 C-N-CA 133.483 4.713 . . . . 75.12 103.424 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . 0.445 HD12 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -144.53 134.06 23.36 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 103.562 -2.755 . . . . 127.79 103.562 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 m -107.62 145.21 33.59 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 106.869 -1.53 . . . . 189.29 106.869 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.41 ' CG2' ' H ' ' A' ' 40' ' ' ARG 0.388 0.2 OUTLIER -48.91 -14.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 1 N-CA-C 123.42 4.6 . . . . 139.9 123.42 -176.987 . . . . . . . . 5 4 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ARG . . . . . 0.451 ' HE ' ' HA ' ' A' ' 85' ' ' GLU . 4.2 tpt180 -80.75 -23.47 39.37 Favored 'General case' 0 C--N 1.323 -0.58 1 N-CA-C 123.001 4.445 . . . . 366.01 123.001 -150.657 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 71.08 -55.33 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 117.83 2.53 . . . . 200.7 117.83 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -152.34 103.27 2.83 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.5 -1.375 . . . . 433.73 110.295 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 62.14 -102.11 0.11 Allowed 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.751 2.82 . . . . 485.87 115.627 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.451 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 20.7 pt-20 -158.82 125.65 4.74 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.904 -1.147 . . . . 128.36 107.904 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -179.0 164.78 1.48 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.554 1.541 . . . . 324.71 107.751 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.313 59.7 m-20 105.31 -23.42 0.01 OUTLIER 'General case' 0 C--N 1.373 1.616 0 C-N-CA 129.266 3.026 . . . . 295.51 111.25 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -96.31 -1.45 47.87 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.072 2.549 . . . . 223.82 109.108 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--O 1.26 1.619 1 C-N-CA 131.793 4.037 . . . . 123.21 102.334 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 30.9 t80 . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 115.622 1.712 . . . . 254.42 115.622 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.13 -40.17 60.96 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.929 2.492 . . . . 212.44 114.026 -171.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.29 -42.58 36.41 Favored 'General case' 0 C--N 1.365 1.282 1 C-N-CA 135.09 5.356 . . . . 205.99 114.249 173.252 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -33.7 76.36 Favored 'General case' 0 N--CA 1.44 -0.947 1 C-N-CA 134.599 5.16 . . . . 104.03 116.866 -172.27 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.481 HG22 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -49.05 -31.27 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 128.804 2.842 . . . . 55.88 114.402 -176.655 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.82 66.42 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.431 3.092 . . . . 50.11 114.709 174.057 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.78 -39.35 9.48 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 117.532 2.419 . . . . 125.51 117.532 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.24 127.78 46.18 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.067 2.947 . . . . 70.45 113.331 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -106.63 156.73 18.3 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.929 2.492 . . . . 60.0 115.926 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -64.73 146.61 54.52 Favored 'General case' 0 C--N 1.363 1.159 1 C-N-CA 132.703 4.401 . . . . 147.71 115.068 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.99 -4.23 38.73 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 123.312 1.506 . . . . 37.09 114.465 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.26 171.68 8.77 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 130.923 3.689 . . . . 38.88 108.188 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER -116.71 135.28 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 120.268 -1.52 . . . . 122.0 111.859 -177.737 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.9 t -135.9 145.57 30.94 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 N-CA-C 103.694 -2.706 . . . . 142.55 103.694 -170.634 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -97.36 127.82 43.65 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.408 0.683 . . . . 78.3 110.298 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.84 160.62 21.15 Favored Glycine 0 CA--C 1.477 -2.342 0 N-CA-C 110.891 -0.884 . . . . 132.34 110.891 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.272 16.3 pttp -110.9 130.89 55.45 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 117.164 2.283 . . . . 178.17 117.164 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.43 137.1 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.179 0.992 . . . . 110.83 111.827 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 30' ' ' GLU . 6.6 t -160.42 -30.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 119.199 -2.188 . . . . 113.29 116.663 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.0 154.16 35.46 Favored 'General case' 0 C--N 1.367 1.326 0 CA-C-N 119.879 1.218 . . . . 71.12 108.323 -171.439 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.08 146.0 22.09 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 117.695 2.48 . . . . 135.68 117.695 -174.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.308 2.1 m-20 -105.67 169.47 8.45 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 129.025 2.93 . . . . 141.25 105.011 172.155 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.21 89.63 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 118.853 -2.405 . . . . 271.48 115.255 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -106.97 0.89 24.05 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.646 3.178 . . . . 310.7 111.172 173.462 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.66 169.57 20.77 Favored Glycine 0 CA--C 1.475 -2.437 0 CA-C-O 123.925 1.847 . . . . 87.6 117.443 -156.046 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.69 131.52 37.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.817 -3.031 . . . . 79.41 102.817 167.844 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.8 114.87 29.35 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.805 -3.035 . . . . 62.25 102.805 174.145 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.263 7.9 p -102.72 133.23 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 C-N-CA 126.935 2.094 . . . . 93.73 106.483 -167.226 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' HG21 ' A' ' 20' ' ' THR 0.28 15.0 tp10 -83.65 122.55 28.76 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 123.5 1.619 . . . . 111.65 112.672 -173.578 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.328 1.1 tm? -123.04 2.88 9.34 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 112.154 -2.294 . . . . 122.61 111.818 -164.016 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.275 . . 78.16 155.14 0.15 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 120.856 3.65 . . . . 108.78 120.856 169.491 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 73.11 23.83 2.6 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.787 2.835 . . . . 249.36 109.542 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.19 -38.6 3.21 Favored Glycine 0 C--N 1.36 1.879 0 C-N-CA 126.001 1.763 . . . . 261.8 114.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.03 146.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 116.875 2.176 . . . . 162.68 116.875 -171.221 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -106.9 154.66 20.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 128.967 2.907 . . . . 124.5 113.635 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -139.7 8.79 Favored Glycine 0 C--N 1.362 1.991 0 N-CA-C 109.651 -1.379 . . . . 66.69 109.651 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -128.52 138.13 52.11 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.377 -2.249 . . . . 130.64 112.103 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.36 131.21 39.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 120.135 -1.603 . . . . 173.09 107.114 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 49.4 mtp180 . . . . . 0 C--N 1.356 0.876 0 C-N-CA 128.701 2.8 . . . . 234.38 112.834 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 CA--C 1.505 -0.779 0 CA-C-O 123.675 1.702 . . . . 156.32 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.1 122.5 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 C-N-CA 126.313 1.845 . . . . 268.83 109.958 166.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.9 -3.93 62.81 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 129.111 3.243 . . . . 172.39 114.093 -169.355 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.7 149.18 29.35 Favored 'General case' 0 C--N 1.368 1.395 0 O-C-N 120.335 -1.685 . . . . 159.43 107.349 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.65 152.25 24.56 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 119.159 3.022 . . . . 194.78 119.159 -170.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.62 160.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 126.768 2.027 . . . . 166.4 107.521 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -95.25 128.88 42.44 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.267 1.827 . . . . 114.41 111.875 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.61 170.3 14.94 Favored 'General case' 0 CA--C 1.478 -1.804 0 N-CA-C 103.06 -2.941 . . . . 105.33 103.06 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -98.48 141.02 31.86 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 104.906 -2.257 . . . . 93.58 104.906 -170.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.0 102.32 14.09 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 103.735 -2.691 . . . . 129.39 103.735 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -66.64 0.88 Allowed 'General case' 0 C--N 1.372 1.58 0 CA-C-N 113.879 -1.509 . . . . 155.62 114.359 -165.616 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.5 165.98 38.18 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 125.963 1.744 . . . . 52.87 110.279 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -122.09 142.4 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 C-N-CA 127.644 2.378 . . . . 127.12 108.297 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -94.42 127.88 40.61 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 106.441 -1.689 . . . . 134.55 106.441 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -67.23 -32.15 72.99 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.759 2.423 . . . . 145.62 115.835 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.92 -29.39 44.17 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.584 2.354 . . . . 115.07 113.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -102.68 -13.78 16.95 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 121.529 -0.732 . . . . 103.56 111.809 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 54.99 33.08 19.44 Favored 'General case' 0 C--N 1.37 1.477 1 C-N-CA 131.84 4.056 . . . . 168.39 116.79 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.06 164.49 27.2 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 129.83 3.252 . . . . 71.7 109.547 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.42 HG23 ' CG ' ' A' ' 2' ' ' PHE . 1.2 pp -94.47 140.54 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 1 C-N-CA 135.247 5.419 . . . . 171.51 114.259 -174.536 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -109.03 123.81 49.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.378 3.071 . . . . 75.12 105.725 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.86 133.54 53.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.63 1.972 . . . . 127.79 108.445 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 t -105.89 123.27 47.7 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.007 -2.59 . . . . 189.29 104.007 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.376 4.4 m -49.19 -16.94 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 1 N-CA-C 126.835 5.865 . . . . 139.9 126.835 -165.284 . . . . . . . . 4 3 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -81.49 -42.35 20.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 121.231 3.789 . . . . 366.01 121.231 -154.161 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.25 . . 115.78 -73.34 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 129.551 3.141 . . . . 200.7 108.747 -170.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt . . . . . 0 C--N 1.358 0.96 0 O-C-N 120.187 -1.571 . . . . 433.73 114.739 -176.115 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.509 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.271 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 112.895 0.702 . . . . 254.42 112.895 . . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -48.66 -34.28 11.53 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 128.222 2.609 . . . . 212.44 113.485 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.66 -33.16 53.52 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 138.648 6.779 . . . . 205.99 117.903 171.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -73.25 -33.2 65.16 Favored 'General case' 0 C--N 1.355 0.841 1 C-N-CA 133.685 4.794 . . . . 104.03 114.981 -172.316 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.455 HG22 ' CZ ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER -49.78 -30.9 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 131.513 3.925 . . . . 55.88 114.69 -177.479 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.08 -34.94 49.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.122 2.569 . . . . 50.11 113.451 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.23 -38.47 10.54 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 126.987 2.115 . . . . 125.51 115.414 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.66 127.7 47.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.551 2.34 . . . . 70.45 111.71 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HE3' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -104.13 156.16 18.11 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.361 2.264 . . . . 60.0 114.016 178.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -72.36 145.83 47.49 Favored 'General case' 0 C--N 1.364 1.202 1 C-N-CA 132.053 4.141 . . . . 147.71 114.842 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.25 -4.13 40.82 Favored Glycine 0 C--N 1.367 2.272 0 C-N-CA 125.865 1.698 . . . . 37.09 112.749 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.28 168.66 10.76 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 129.501 3.12 . . . . 38.88 110.514 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mm -109.83 135.33 49.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 125.19 1.396 . . . . 122.0 109.434 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 m -135.89 145.84 30.51 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 104.087 -2.56 . . . . 142.55 104.087 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -101.22 128.42 47.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 121.026 -1.047 . . . . 78.3 110.016 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.13 160.93 25.53 Favored Glycine 0 CA--C 1.478 -2.27 0 C-N-CA 120.224 -0.989 . . . . 132.34 113.245 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' ' 30' ' ' GLU . 8.8 ptpp? -114.22 139.06 49.7 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 116.836 2.161 . . . . 178.17 116.836 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.13 128.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.834 1.254 . . . . 110.83 114.109 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.8 p -129.36 -47.34 1.19 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.408 2.003 . . . . 113.29 116.408 -174.546 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.45 150.58 23.53 Favored 'General case' 0 CA--C 1.486 -1.503 0 N-CA-C 102.802 -3.036 . . . . 71.12 102.802 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 20.0 m -119.76 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 116.103 1.89 . . . . 135.68 116.103 -175.756 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -105.57 169.79 8.26 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.956 2.502 . . . . 141.25 105.41 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.09 64.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.887 2.18 . . . . 271.48 116.887 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -106.9 -0.14 23.45 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.287 2.235 . . . . 310.7 109.516 171.039 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.49 155.76 16.04 Favored Glycine 0 CA--C 1.476 -2.377 0 CA-C-O 123.571 1.65 . . . . 87.6 115.951 -160.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -139.98 132.15 28.1 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 100.485 -3.895 . . . . 79.41 100.485 168.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -101.76 114.92 29.42 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 102.718 -3.067 . . . . 62.25 102.718 173.331 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.44 139.32 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.749 -1.204 . . . . 93.73 107.749 -173.731 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB3' ' HG3' ' A' ' 18' ' ' LYS . 33.1 tt0 -90.72 126.24 35.93 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 124.9 1.28 . . . . 111.65 109.034 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.72 -9.57 18.06 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 127.877 2.471 . . . . 122.61 113.143 -170.088 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 76.11 151.41 0.12 Allowed 'General case' 0 C--N 1.357 0.902 0 N-CA-C 118.324 2.712 . . . . 108.78 118.324 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 77.52 11.23 2.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.463 1.905 . . . . 249.36 110.46 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.06 19.25 19.79 Favored Glycine 0 C--N 1.364 2.085 0 C-N-CA 125.914 1.721 . . . . 261.8 114.53 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.353 0.6 OUTLIER -109.53 146.02 15.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 120.364 -1.668 . . . . 162.68 111.377 178.255 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.29 154.72 44.56 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 128.414 2.686 . . . . 124.5 108.815 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.87 -152.57 6.11 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 119.295 -1.431 . . . . 66.69 111.252 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -107.29 139.22 42.1 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.52 2.044 . . . . 130.64 116.52 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 8.2 tt -125.55 119.64 28.69 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.265 -2.865 . . . . 173.09 103.265 168.644 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 C--N 1.366 1.319 0 CA-C-N 120.551 1.523 . . . . 234.38 112.933 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.551 0.691 . . . . 156.32 109.476 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.41 125.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.517 2.727 . . . . 268.83 109.161 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.94 82.15 Favored Glycine 0 C--N 1.361 1.949 0 C-N-CA 125.319 1.437 . . . . 172.39 114.06 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.05 135.3 39.24 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 105.32 -2.104 . . . . 159.43 105.32 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.01 150.97 27.75 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 115.158 1.54 . . . . 194.78 115.158 -173.086 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.53 160.6 27.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 C-N-CA 128.81 2.844 . . . . 166.4 108.174 -177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 124.28 39.15 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.029 2.132 . . . . 114.41 111.87 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.68 168.25 17.47 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 103.88 -2.637 . . . . 105.33 103.88 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -99.86 127.42 46.03 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 106.451 -1.685 . . . . 93.58 106.451 -170.266 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.86 104.27 16.2 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 104.419 -2.437 . . . . 129.39 104.419 -175.125 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.254 4.5 t -112.45 -49.42 2.95 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 114.878 1.436 . . . . 155.62 114.878 -162.705 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.59 156.55 26.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 121.431 -0.793 . . . . 52.87 112.117 -176.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.29 0.5 OUTLIER -117.59 142.44 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 127.097 2.159 . . . . 127.12 109.87 177.505 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.87 127.41 38.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.727 -1.583 . . . . 134.55 106.727 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -70.15 -31.71 69.35 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 116.566 2.061 . . . . 145.62 116.566 -173.234 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -65.13 -41.12 95.13 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.93 2.492 . . . . 115.07 116.158 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.65 -13.13 15.11 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 120.951 -1.093 . . . . 103.56 110.616 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.331 35.4 ttp180 62.22 53.54 2.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 128.497 2.719 . . . . 168.39 115.104 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.09 162.83 29.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 126.609 1.963 . . . . 71.7 108.596 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.351 2.1 pp -96.19 138.44 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 1 C-N-CA 133.063 4.545 . . . . 171.51 118.268 -176.621 . . . . . . . . 3 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -109.31 129.71 55.51 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 130.299 3.44 . . . . 75.12 105.417 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.51 146.7 52.1 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 106.527 -1.657 . . . . 127.79 106.527 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -107.47 136.86 46.54 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 106.419 -1.697 . . . . 189.29 106.419 164.313 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -49.31 -17.06 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 2 C-N-CA 133.778 4.831 . . . . 139.9 122.807 -173.751 . . . . . . . . 4 4 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.23 -23.35 38.11 Favored 'General case' 0 CA--C 1.507 -0.699 1 C-N-CA 132.731 4.413 . . . . 366.01 118.987 -156.722 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.37 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.715 2.406 . . . . 200.7 112.392 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 N--CA 1.449 -0.504 0 C-N-CA 126.471 1.908 . . . . 433.73 108.454 176.225 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.584 ' CG ' HG23 ' A' ' 76' ' ' ILE . 3.5 t80 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 113.61 0.967 . . . . 254.42 113.61 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ASN . . . . . 0.447 ' HB2' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -50.71 -43.33 57.82 Favored 'General case' 0 CA--C 1.57 1.742 0 C-N-CA 129.342 3.057 . . . . 212.44 113.055 -172.567 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -78.98 -52.47 8.2 Favored 'General case' 0 C--N 1.373 1.598 1 C-N-CA 133.678 4.791 . . . . 205.99 116.493 169.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.47 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 77.1 t90 -57.4 -33.82 68.24 Favored 'General case' 0 C--N 1.365 1.244 1 C-N-CA 135.598 5.559 . . . . 104.03 114.581 -175.511 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 p -49.62 -30.57 5.37 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 130.936 3.694 . . . . 55.88 115.01 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.19 64.52 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.0 2.12 . . . . 50.11 114.097 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.91 -39.84 9.6 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 116.701 2.111 . . . . 125.51 116.701 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASN . . . . . 0.47 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 30.8 m120 -126.69 139.81 52.87 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 128.0 2.52 . . . . 70.45 113.552 -172.414 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 157.08 18.01 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.893 2.477 . . . . 60.0 116.61 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm -68.68 147.49 51.79 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 134.308 5.043 . . . . 147.71 113.392 172.004 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.07 -4.08 38.46 Favored Glycine 0 C--N 1.361 1.919 0 C-N-CA 126.047 1.784 . . . . 37.09 112.716 -164.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.69 155.48 17.6 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.103 2.961 . . . . 38.88 109.027 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 pt -116.99 134.89 59.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.978 1.711 . . . . 122.0 111.009 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.75 160.76 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.704 0 O-C-N 119.4 -2.063 . . . . 142.55 105.727 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -95.7 127.57 41.84 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.077 0.465 . . . . 78.3 109.788 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.49 167.52 18.89 Favored Glycine 0 CA--C 1.486 -1.724 0 N-CA-C 111.01 -0.836 . . . . 132.34 111.01 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.295 33.6 pttt -110.75 139.17 46.28 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 117.482 2.401 . . . . 178.17 117.482 -171.015 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.07 130.7 35.62 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 113.526 0.936 . . . . 110.83 113.526 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.437 HG21 ' HB2' ' A' ' 30' ' ' GLU . 77.9 p -130.53 -41.18 1.22 Allowed 'General case' 0 C--N 1.367 1.367 0 N-CA-C 118.552 2.797 . . . . 113.29 118.552 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.8 11.7 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 104.825 -2.287 . . . . 71.12 104.825 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -117.59 147.48 20.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 117.568 2.433 . . . . 135.68 117.568 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.255 5.3 m-20 -105.59 170.71 7.73 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 129.1 2.96 . . . . 141.25 106.094 172.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.0 92.77 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 118.922 -2.361 . . . . 271.48 114.756 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -104.18 0.64 29.75 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 131.501 3.92 . . . . 310.7 110.534 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 150.17 16.83 Favored Glycine 0 C--N 1.366 2.215 0 CA-C-O 124.042 1.912 . . . . 87.6 115.245 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . . . -142.51 131.5 23.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 100.269 -3.975 . . . . 79.41 100.269 164.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.38 128.89 52.31 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 107.05 -1.463 . . . . 62.25 107.05 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.84 133.1 47.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 105.589 -2.004 . . . . 93.73 105.589 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' HB2' HG21 ' A' ' 20' ' ' THR . 34.5 tt0 -94.27 130.27 40.61 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 123.472 1.606 . . . . 111.65 108.506 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.35 -32.81 6.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 112.41 -2.177 . . . . 122.61 107.594 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.268 . . 94.7 161.26 0.02 OUTLIER 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.156 2.982 . . . . 108.78 117.401 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 96.73 5.1 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 130.515 3.526 . . . . 249.36 108.858 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.77 -25.78 16.05 Favored Glycine 0 C--N 1.365 2.174 0 C-N-CA 124.977 1.275 . . . . 261.8 111.284 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -89.5 137.29 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 127.013 2.125 . . . . 162.68 113.322 -178.226 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 27.0 mt-10 -127.08 155.49 43.19 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.912 2.885 . . . . 124.5 111.074 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.626 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -117.73 -166.98 14.09 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 109.576 -1.409 . . . . 66.69 109.576 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -115.14 138.07 51.32 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 120.621 2.211 . . . . 130.64 116.119 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 27' ' ' ALA 0.442 0.4 OUTLIER -121.17 124.78 45.55 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 118.865 -2.397 . . . . 173.09 110.453 164.261 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.367 1.367 0 N-CA-C 116.703 2.112 . . . . 234.38 116.703 -175.949 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 108.386 -0.968 . . . . 156.32 108.386 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.09 124.1 30.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 126.987 2.115 . . . . 268.83 111.3 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 -3.05 55.05 Favored Glycine 0 C--N 1.361 1.936 0 O-C-N 121.211 -0.93 . . . . 172.39 112.794 -172.152 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -108.92 151.83 25.76 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 107.415 -1.328 . . . . 159.43 107.415 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -107.4 152.94 23.5 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 115.902 1.815 . . . . 194.78 115.902 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.58 158.69 27.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 C-N-CA 127.086 2.154 . . . . 166.4 106.183 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -94.92 130.19 41.64 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.769 2.028 . . . . 114.41 111.154 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.74 166.18 23.54 Favored 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 120.557 -1.34 . . . . 105.33 107.578 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -101.54 126.59 48.37 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 125.865 1.666 . . . . 93.58 110.086 -174.051 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -96.71 113.11 24.64 Favored 'General case' 0 C--N 1.372 1.544 0 N-CA-C 106.678 -1.601 . . . . 129.39 106.678 -175.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.7 m -153.93 56.78 0.73 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 124.007 1.861 . . . . 155.62 107.935 -172.13 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.23 149.36 4.97 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 119.749 -1.844 . . . . 52.87 113.472 171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.328 0.1 OUTLIER -127.86 141.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 128.061 2.544 . . . . 127.12 109.615 176.127 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.35 127.99 42.86 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.44 1.896 . . . . 134.55 105.982 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -70.78 -22.79 62.34 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.503 2.038 . . . . 145.62 116.503 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.0 -40.39 65.24 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.221 2.208 . . . . 115.07 115.406 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 -12.85 15.32 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.819 -1.176 . . . . 103.56 110.504 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 62.78 39.86 10.48 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.812 2.445 . . . . 168.39 112.412 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.33 21.29 Favored 'General case' 0 N--CA 1.412 -2.345 0 C-N-CA 129.735 3.214 . . . . 71.7 108.162 -172.145 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 1.005 ' H ' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.17 139.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 1 C-N-CA 134.734 5.214 . . . . 171.51 114.795 -167.986 . . . . . . . . 4 4 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -113.14 115.83 28.89 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.542 -3.133 . . . . 75.12 102.542 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.63 HD12 ' HB ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -143.9 145.44 32.29 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 113.109 -1.859 . . . . 127.79 106.436 -173.179 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -107.13 145.03 32.99 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 125.185 1.394 . . . . 189.29 107.659 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.427 0.0 OUTLIER -49.84 -14.95 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 1 N-CA-C 123.805 4.743 . . . . 139.9 123.805 178.82 . . . . . . . . 4 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -81.29 -43.08 19.65 Favored 'General case' 0 N--CA 1.471 0.598 1 N-CA-C 122.021 4.082 . . . . 366.01 122.021 -155.281 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.293 . . 99.36 -0.68 0.03 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.269 2.628 . . . . 200.7 113.438 -171.218 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt . . . . . 0 C--N 1.364 1.213 0 O-C-N 120.962 -1.086 . . . . 433.73 109.595 175.289 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.544 ' CG ' HG23 ' A' ' 76' ' ' ILE 0.301 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 113.645 0.979 . . . . 254.42 113.645 . . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -49.51 -30.19 7.99 Favored 'General case' 0 CA--C 1.59 2.482 0 C-N-CA 126.02 1.728 . . . . 212.44 113.576 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -76.59 -50.81 12.91 Favored 'General case' 0 C--N 1.372 1.544 1 C-N-CA 132.878 4.471 . . . . 205.99 113.357 170.678 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.85 -33.81 69.05 Favored 'General case' 0 C--N 1.363 1.19 1 C-N-CA 133.956 4.903 . . . . 104.03 114.268 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.41 -31.46 8.69 Favored 'Isoleucine or valine' 0 C--N 1.371 1.541 0 C-N-CA 129.763 3.225 . . . . 55.88 116.012 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.38 -25.5 42.15 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.549 1.54 . . . . 50.11 113.47 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.02 -39.56 9.69 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.062 2.145 . . . . 125.51 115.914 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -113.52 148.34 36.24 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 115.033 1.494 . . . . 70.45 115.033 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -106.7 141.24 38.28 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 115.425 1.639 . . . . 60.0 115.425 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -73.09 144.59 46.96 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 128.262 2.625 . . . . 147.71 111.425 169.081 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.99 -3.92 41.46 Favored Glycine 0 C--N 1.367 2.255 0 CA-C-O 122.506 1.059 . . . . 37.09 112.817 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.93 168.69 9.95 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 129.249 3.02 . . . . 38.88 109.773 -172.287 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.16 136.28 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 125.965 1.706 . . . . 122.0 111.663 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.32 163.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 N-CA-C 105.757 -1.942 . . . . 142.55 105.757 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.8 m -115.08 130.87 57.04 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.689 -2.337 . . . . 78.3 104.689 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 31' ' ' LEU . . . -136.09 176.14 20.44 Favored Glycine 0 C--N 1.361 1.957 0 C-N-CA 120.145 -1.026 . . . . 132.34 115.042 174.799 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.259 18.9 ptmt -128.78 145.6 51.14 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 115.047 1.499 . . . . 178.17 115.047 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -78.09 123.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 C-N-CA 123.902 0.881 . . . . 110.83 112.124 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -129.35 -19.27 3.49 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 114.815 1.413 . . . . 113.29 114.815 -170.583 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.38 153.74 20.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 105.372 -2.085 . . . . 71.12 105.372 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.64 142.89 29.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 N-CA-C 114.16 1.17 . . . . 135.68 114.16 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.284 1.9 m-20 -106.64 169.22 8.66 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.289 2.236 . . . . 141.25 106.757 172.634 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.66 81.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.691 -1.881 . . . . 271.48 114.908 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -106.7 0.16 24.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.312 2.645 . . . . 310.7 110.202 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.97 163.07 21.71 Favored Glycine 0 CA--C 1.481 -2.092 0 CA-C-O 124.467 2.149 . . . . 87.6 116.582 -156.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.95 131.2 24.96 Favored 'General case' 0 N--CA 1.425 -1.689 1 N-CA-C 99.764 -4.161 . . . . 79.41 99.764 166.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -106.72 126.38 52.22 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.795 -2.298 . . . . 62.25 104.795 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -111.34 137.12 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.771 2.028 . . . . 93.73 107.978 -170.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.0 122.89 33.43 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.909 2.084 . . . . 111.65 106.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD23 ' HA3' ' A' ' 17' ' ' GLY . 11.2 mt -109.48 3.98 21.87 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 127.228 2.211 . . . . 122.61 113.878 -168.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.61 163.53 0.27 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.811 2.444 . . . . 108.78 117.535 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 72.32 7.97 5.74 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.81 2.044 . . . . 249.36 111.485 -171.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 13.8 51.68 Favored Glycine 0 C--N 1.365 2.189 0 C-N-CA 127.244 2.354 . . . . 261.8 113.551 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -95.06 145.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.138 0 C-N-CA 127.244 2.218 . . . . 162.68 113.815 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -127.84 154.92 44.9 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 128.536 2.734 . . . . 124.5 112.384 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.704 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -156.02 -151.61 5.97 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 119.488 -1.339 . . . . 66.69 110.808 167.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.34 137.97 44.41 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 118.316 2.709 . . . . 130.64 118.316 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.95 117.41 29.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 104.606 -2.368 . . . . 173.09 104.606 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--N 1.363 1.194 0 N-CA-C 114.87 1.433 . . . . 234.38 114.87 -173.509 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 122.87 1.319 . . . . 156.32 109.739 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.27 75.6 t -74.79 121.41 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 128.39 2.676 . . . . 268.83 109.759 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.13 -2.56 56.61 Favored Glycine 0 C--N 1.36 1.902 0 O-C-N 121.509 -0.744 . . . . 172.39 112.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.54 138.31 33.38 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.747 1.619 . . . . 159.43 108.36 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -89.05 152.79 21.47 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 117.908 2.558 . . . . 194.78 117.908 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.13 162.52 24.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 N-CA-C 105.433 -2.062 . . . . 166.4 105.433 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -124.51 142.85 51.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.73 -1.232 . . . . 114.41 108.723 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.37 169.84 16.91 Favored 'General case' 0 CA--C 1.488 -1.438 0 C-N-CA 117.412 -1.715 . . . . 105.33 109.78 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -100.34 130.34 46.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.659 -1.978 . . . . 93.58 105.659 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.72 104.53 16.56 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.176 -1.787 . . . . 129.39 106.176 -172.159 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.3 2.5 t -113.1 -37.86 4.64 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 118.916 -1.114 . . . . 155.62 113.781 -166.491 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.05 179.76 39.45 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 120.234 -0.984 . . . . 52.87 114.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.2 OUTLIER -124.77 138.92 52.54 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 C-N-CA 126.903 2.081 . . . . 127.12 107.59 175.311 . . . . . . . . 4 4 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -100.98 127.37 47.51 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 104.524 -2.398 . . . . 134.55 104.524 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.04 -16.59 63.18 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.483 1.66 . . . . 145.62 115.483 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.41 -35.67 65.87 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 128.76 2.824 . . . . 115.07 112.861 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.296 76.4 m-20 -101.27 -14.95 17.45 Favored 'General case' 0 C--N 1.362 1.146 0 O-C-N 120.718 -1.239 . . . . 103.56 112.446 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 58.21 32.91 22.61 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.05 2.54 . . . . 168.39 111.921 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 166.62 22.32 Favored 'General case' 0 N--CA 1.42 -1.965 0 C-N-CA 130.577 3.551 . . . . 71.7 111.581 -167.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.544 HG23 ' CG ' ' A' ' 2' ' ' PHE . 8.2 pt -93.79 138.8 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 131.693 3.997 . . . . 171.51 114.936 -175.445 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -113.46 116.14 29.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.744 3.218 . . . . 75.12 103.568 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.704 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -136.43 133.94 37.18 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 102.734 -3.061 . . . . 127.79 102.734 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -107.94 144.3 35.4 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.431 1.492 . . . . 189.29 107.344 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.353 1.5 p -48.32 -14.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 1 N-CA-C 122.336 4.198 . . . . 139.9 122.336 -172.902 . . . . . . . . 3 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.35 -25.14 65.61 Favored 'General case' 0 C--N 1.316 -0.89 2 C-N-CA 134.649 5.18 . . . . 366.01 122.366 -151.554 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 69.65 -56.82 0.56 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.578 1.951 . . . . 200.7 115.396 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.4 tptt . . . . . 0 C--N 1.349 0.572 0 N-CA-C 107.647 -1.242 . . . . 433.73 107.647 177.632 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.486 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.259 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 N-CA-C 113.842 1.053 . . . . 254.42 113.842 . . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -49.05 -32.13 8.96 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 126.507 1.923 . . . . 212.44 114.942 -167.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -78.13 -33.28 50.57 Favored 'General case' 0 C--N 1.373 1.601 1 C-N-CA 137.162 6.185 . . . . 205.99 117.779 169.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -33.55 73.7 Favored 'General case' 0 C--N 1.353 0.731 1 C-N-CA 134.055 4.942 . . . . 104.03 115.342 -171.871 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.445 HG23 ' H ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -49.95 -32.07 7.8 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 C-N-CA 130.827 3.651 . . . . 55.88 115.019 -174.594 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.31 64.64 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 129.326 3.05 . . . . 50.11 113.682 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -95.94 -40.5 9.25 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.047 -1.033 . . . . 125.51 113.615 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -128.07 124.63 37.5 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.603 1.961 . . . . 70.45 110.232 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.32 156.64 18.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.631 1.973 . . . . 60.0 115.162 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -56.24 145.25 27.17 Favored 'General case' 0 C--N 1.361 1.089 1 C-N-CA 132.197 4.199 . . . . 147.71 115.746 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 -3.61 39.88 Favored Glycine 0 C--N 1.368 2.319 0 CA-C-O 122.844 1.247 . . . . 37.09 114.349 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.0 173.68 6.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 128.654 2.782 . . . . 38.88 111.142 -169.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.96 134.78 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 O-C-N 120.132 -1.605 . . . . 122.0 108.091 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.32 145.41 32.93 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 N-CA-C 104.064 -2.569 . . . . 142.55 104.064 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -99.63 129.49 45.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.927 0.891 . . . . 78.3 111.362 -173.459 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.31 28.21 Favored Glycine 0 C--N 1.361 1.948 0 C-N-CA 119.534 -1.317 . . . . 132.34 114.85 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 0.0 OUTLIER -123.9 150.87 44.18 Favored 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 115.729 1.751 . . . . 178.17 115.729 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.19 130.02 36.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.485 0 CA-C-N 114.683 -1.144 . . . . 110.83 113.521 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.577 ' HA ' HG23 ' A' ' 58' ' ' VAL . 5.1 t -139.23 -14.46 1.14 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 116.596 2.072 . . . . 113.29 116.596 -174.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.34 154.93 10.77 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 120.594 1.543 . . . . 71.12 106.847 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 m -117.21 142.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 120.762 -1.211 . . . . 135.68 113.224 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.295 1.9 m-20 -106.36 169.6 8.42 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.319 2.247 . . . . 141.25 105.242 171.046 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.7 82.53 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 118.728 -2.483 . . . . 271.48 115.87 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -106.75 0.22 24.01 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.206 3.002 . . . . 310.7 109.296 172.412 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.16 161.46 13.47 Favored Glycine 0 CA--C 1.478 -2.26 0 CA-C-O 124.389 2.105 . . . . 87.6 117.205 -162.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -135.49 131.58 36.28 Favored 'General case' 0 N--CA 1.422 -1.84 1 N-CA-C 98.573 -4.603 . . . . 79.41 98.573 167.11 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.99 121.63 43.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.872 -2.27 . . . . 62.25 104.872 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.71 139.51 27.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.023 -1.473 . . . . 93.73 107.023 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -94.59 126.63 40.0 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 107.624 -1.25 . . . . 111.65 107.624 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 78' ' ' LEU . 1.8 mt -106.28 -2.04 22.78 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.805 2.042 . . . . 122.61 113.194 -172.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 74.73 162.28 0.25 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 118.487 2.773 . . . . 108.78 118.487 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 70.0 8.21 6.58 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 126.567 1.947 . . . . 249.36 111.908 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 10.57 42.71 Favored Glycine 0 C--N 1.362 1.994 0 C-N-CA 126.237 1.875 . . . . 261.8 113.441 -172.059 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.49 141.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 CA-C-N 119.983 1.892 . . . . 162.68 112.581 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -127.82 155.2 44.48 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.992 2.517 . . . . 124.5 111.994 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.73 -153.67 6.73 Favored Glycine 0 C--N 1.368 2.352 0 C-N-CA 119.003 -1.57 . . . . 66.69 110.826 169.094 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.453 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.7 m-85 -106.6 140.08 40.03 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.423 2.379 . . . . 130.64 117.423 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' HG13 ' A' ' 80' ' ' VAL . 7.1 tt -122.6 120.09 32.75 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 103.901 -2.629 . . . . 173.09 103.901 166.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 . . . . . 0 C--N 1.365 1.255 0 O-C-N 119.846 -1.784 . . . . 234.38 115.694 -176.842 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 106.868 -1.53 . . . . 156.32 106.868 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.577 HG23 ' HA ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -74.89 122.75 29.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.975 0 C-N-CA 127.088 2.155 . . . . 268.83 109.703 177.042 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -3.06 39.96 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.749 0.69 . . . . 172.39 111.774 -168.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.9 149.91 29.21 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 118.484 1.142 . . . . 159.43 109.154 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -92.94 154.79 17.97 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 118.926 2.936 . . . . 194.78 118.926 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 m -134.26 161.99 39.79 Favored 'Isoleucine or valine' 0 C--N 1.372 1.563 0 C-N-CA 126.982 2.113 . . . . 166.4 105.519 172.243 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.65 119.34 35.2 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 101.714 -3.439 . . . . 114.41 101.714 172.246 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.08 168.43 16.78 Favored 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 116.276 -2.169 . . . . 105.33 105.669 -166.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -99.36 130.32 45.63 Favored 'General case' 0 CA--C 1.487 -1.468 0 N-CA-C 106.849 -1.537 . . . . 93.58 106.849 -169.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.86 103.74 15.63 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 104.791 -2.3 . . . . 129.39 104.791 -171.619 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.2 p -98.72 -68.97 0.78 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 115.479 -0.782 . . . . 155.62 110.891 -168.033 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.93 174.39 37.54 Favored Glycine 0 CA--C 1.494 -1.264 0 CA-C-O 123.275 1.486 . . . . 52.87 115.16 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.486 HG11 ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -125.66 141.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 129.491 3.116 . . . . 127.12 106.817 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -100.94 127.92 47.2 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 103.394 -2.817 . . . . 134.55 103.394 167.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -49.86 -29.76 8.67 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 129.979 3.312 . . . . 145.62 118.0 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -71.86 -24.33 61.67 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.093 2.957 . . . . 115.07 114.606 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.284 64.8 m-80 -102.76 -14.58 16.58 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 120.523 -1.361 . . . . 103.56 111.315 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 48.58 31.08 2.74 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 132.309 4.244 . . . . 168.39 111.777 -165.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.94 161.87 34.03 Favored 'General case' 0 N--CA 1.419 -2.012 0 C-N-CA 125.764 1.626 . . . . 71.7 111.14 -170.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.44 HG23 ' CG ' ' A' ' 2' ' ' PHE . 13.8 pt -95.57 139.39 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 1 C-N-CA 135.444 5.497 . . . . 171.51 118.472 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -110.45 133.72 53.01 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 130.576 3.55 . . . . 75.12 106.454 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 31' ' ' LEU . 1.5 mt -128.09 145.97 50.84 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.09 -1.448 . . . . 127.79 107.09 175.054 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 p -106.98 126.97 53.02 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 105.367 -2.086 . . . . 189.29 105.367 167.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.54 HG13 ' HG ' ' A' ' 39' ' ' LEU . 1.5 t -47.89 -17.06 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 2 N-CA-C 126.602 5.778 . . . . 139.9 126.602 -162.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -80.47 -43.35 21.0 Favored 'General case' 0 C--N 1.328 -0.361 1 N-CA-C 122.545 4.276 . . . . 366.01 122.545 -154.135 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.253 . . 98.82 -16.95 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 128.138 2.575 . . . . 200.7 111.122 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt . . . . . 0 C--N 1.354 0.784 0 C-N-CA 124.414 1.086 . . . . 433.73 113.018 -178.606 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.401 0.0 OUTLIER . . . . . 0 CA--C 1.503 -0.836 0 N-CA-C 113.136 0.791 . . . . 254.42 113.136 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -31.59 7.75 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 128.669 2.788 . . . . 212.44 113.086 -170.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -77.94 -50.9 11.29 Favored 'General case' 0 C--N 1.375 1.7 1 C-N-CA 137.419 6.288 . . . . 205.99 116.566 168.091 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.64 45.24 Favored 'General case' 0 C--N 1.355 0.829 1 C-N-CA 136.259 5.824 . . . . 104.03 117.282 -177.356 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 6' ' ' VAL . 1.7 t -49.95 -30.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 C-N-CA 131.007 3.723 . . . . 55.88 113.767 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.45 77.14 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.2 2.6 . . . . 50.11 114.343 171.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.26 -39.26 9.74 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.645 2.378 . . . . 125.51 116.922 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -112.17 152.56 28.2 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.801 . . . . 70.45 115.325 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -106.84 135.7 47.93 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 117.091 2.256 . . . . 60.0 117.091 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -74.67 145.02 43.51 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.252 3.021 . . . . 147.71 112.927 167.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.05 -4.12 57.28 Favored Glycine 0 C--N 1.372 2.53 0 CA-C-O 122.889 1.272 . . . . 37.09 113.151 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.42 163.66 12.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 129.151 2.98 . . . . 38.88 108.809 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.57 135.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.927 1.691 . . . . 122.0 111.219 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.85 160.14 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.676 0 N-CA-C 105.527 -2.027 . . . . 142.55 105.527 -170.791 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 t -98.23 127.83 44.37 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.559 1.171 . . . . 78.3 108.583 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.4 166.34 24.19 Favored Glycine 0 CA--C 1.481 -2.088 0 N-CA-C 109.77 -1.332 . . . . 132.34 109.77 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.92 142.43 46.79 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 117.873 2.545 . . . . 178.17 117.873 -174.603 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 132.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-N 114.487 -1.233 . . . . 110.83 113.601 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.252 3.4 m -142.5 -45.08 0.32 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 118.958 -2.339 . . . . 113.29 116.615 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 149.17 28.23 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.094 -2.558 . . . . 71.12 104.094 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.269 16.0 m -117.71 147.24 21.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 115.179 1.548 . . . . 135.68 115.179 -176.416 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.66 168.85 8.83 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.268 2.227 . . . . 141.25 105.629 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.15 75.55 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 119.75 -1.844 . . . . 271.48 115.077 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.5 -0.09 24.26 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.4 3.08 . . . . 310.7 110.279 174.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.14 160.29 21.92 Favored Glycine 0 CA--C 1.479 -2.171 0 N-CA-C 118.699 2.24 . . . . 87.6 118.699 -156.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.71 25.43 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 101.875 -3.38 . . . . 79.41 101.875 165.073 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -100.72 125.0 47.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 103.283 -2.858 . . . . 62.25 103.283 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.02 142.32 21.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 125.339 1.456 . . . . 93.73 108.045 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -89.74 127.76 36.0 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.352 1.061 . . . . 111.65 110.006 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.64 0.39 20.63 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 128.095 2.558 . . . . 122.61 111.445 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 66.54 157.34 0.11 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 119.251 3.056 . . . . 108.78 119.251 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.28 12.58 4.82 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.628 1.971 . . . . 249.36 111.604 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.59 23.64 18.13 Favored Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.901 1.715 . . . . 261.8 113.201 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.6 t -104.13 137.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.683 1.593 . . . . 162.68 109.582 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.84 154.41 45.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 126.027 1.731 . . . . 124.5 108.982 174.274 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.45 -158.98 7.91 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.807 -0.917 . . . . 66.69 110.807 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.522 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.6 m-85 -106.4 139.13 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.884 2.073 . . . . 130.64 113.446 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 80' ' ' VAL 0.273 1.0 OUTLIER -133.85 133.57 41.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 102.56 -3.126 . . . . 173.09 102.56 175.405 . . . . . . . . 4 4 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.526 ' H ' HG13 ' A' ' 80' ' ' VAL . 40.0 mtp180 . . . . . 0 C--N 1.35 0.596 0 O-C-N 119.003 -2.311 . . . . 234.38 112.497 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.799 0.809 . . . . 156.32 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 p -57.04 123.32 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 127.258 2.223 . . . . 268.83 111.946 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.55 -3.01 86.51 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 120.711 -1.243 . . . . 172.39 115.68 -167.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -99.94 142.82 30.9 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 105.378 -2.082 . . . . 159.43 105.378 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -100.36 143.98 29.91 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.608 2.818 . . . . 194.78 118.608 -166.305 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 t -119.06 147.99 22.25 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 127.677 2.391 . . . . 166.4 107.749 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -95.12 119.46 33.67 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 106.545 -1.65 . . . . 114.41 106.545 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.16 160.62 34.25 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 104.697 -2.334 . . . . 105.33 104.697 -169.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -100.2 136.24 40.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 125.807 1.643 . . . . 93.58 109.454 -166.738 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.19 105.15 17.15 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 106.325 -1.731 . . . . 129.39 106.325 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.9 p -92.44 -46.1 7.82 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 114.171 -1.377 . . . . 155.62 113.859 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.17 176.04 47.58 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 110.431 -1.068 . . . . 52.87 110.431 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.269 0.4 OUTLIER -125.15 142.62 41.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 126.96 2.104 . . . . 127.12 107.893 -178.128 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.97 125.52 33.44 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.615 -1.995 . . . . 134.55 105.615 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -70.83 -29.93 66.21 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.941 2.2 . . . . 145.62 116.941 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -71.89 -40.57 68.79 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 127.049 2.14 . . . . 115.07 115.488 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -12.44 15.38 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.198 -0.939 . . . . 103.56 111.192 174.621 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.357 64.8 mtp85 67.08 54.39 0.75 Allowed 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.575 2.435 . . . . 168.39 117.575 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.95 162.83 30.61 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.338 1.855 . . . . 71.7 108.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pp -94.59 138.76 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 1 C-N-CA 132.897 4.479 . . . . 171.51 112.651 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.4 m -113.51 131.1 56.18 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.949 2.9 . . . . 75.12 105.582 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.522 ' H ' ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -122.73 146.52 47.42 Favored 'General case' 0 CA--C 1.486 -1.514 0 CA-C-O 123.482 1.611 . . . . 127.79 106.886 175.435 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.9 m -106.66 136.59 46.19 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 101.652 -3.462 . . . . 189.29 101.652 169.055 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.526 HG13 ' H ' ' A' ' 40' ' ' ARG . 5.4 m -49.29 -16.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 1 N-CA-C 125.83 5.493 . . . . 139.9 125.83 -174.503 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -68.75 -42.79 77.02 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 121.733 3.975 . . . . 366.01 121.733 -146.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 78.64 -58.75 0.43 Allowed 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.551 1.941 . . . . 200.7 110.789 -171.314 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.348 0.53 0 C-N-CA 130.516 3.527 . . . . 433.73 105.908 172.648 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.531 ' CG ' HG23 ' A' ' 76' ' ' ILE . 47.3 t80 . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 117.534 2.42 . . . . 254.42 117.534 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.05 22.55 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 127.047 2.139 . . . . 212.44 114.077 -168.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -78.88 -52.48 8.24 Favored 'General case' 0 C--N 1.367 1.337 1 C-N-CA 135.927 5.691 . . . . 205.99 117.27 168.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.355 0.809 1 C-N-CA 134.876 5.27 . . . . 104.03 115.975 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.02 -31.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 130.591 3.556 . . . . 55.88 115.112 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.46 2.704 . . . . 50.11 114.409 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -96.28 -39.12 9.81 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.017 2.228 . . . . 125.51 117.017 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.31 140.98 37.62 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.508 1.923 . . . . 70.45 115.16 -170.355 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -105.65 154.66 20.13 Favored 'General case' 0 C--N 1.367 1.368 0 N-CA-C 115.854 1.798 . . . . 60.0 115.854 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -73.91 143.97 45.54 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 129.343 3.057 . . . . 147.71 111.518 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.47 -4.51 47.47 Favored Glycine 0 C--N 1.366 2.232 0 CA-C-O 123.906 1.837 . . . . 37.09 112.261 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.06 164.93 12.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 129.581 3.152 . . . . 38.88 107.777 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 pt -114.87 135.43 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.687 0 C-N-CA 124.811 1.244 . . . . 122.0 109.009 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 t -131.53 144.74 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.34 0 N-CA-C 102.27 -3.233 . . . . 142.55 102.27 -171.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -104.74 127.9 52.67 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 122.616 1.198 . . . . 78.3 108.56 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.94 164.58 28.21 Favored Glycine 0 CA--C 1.48 -2.131 0 CA-C-N 114.788 -1.096 . . . . 132.34 112.461 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -109.82 131.64 54.88 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 118.351 2.722 . . . . 178.17 118.351 -167.539 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 58' ' ' VAL . 9.9 p -65.97 128.84 29.6 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 115.648 1.721 . . . . 110.83 115.648 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.527 ' HA ' HG23 ' A' ' 58' ' ' VAL 0.258 0.2 OUTLIER -138.65 -42.81 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 1 N-CA-C 122.152 4.13 . . . . 113.29 122.152 -168.473 . . . . . . . . 5 4 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.02 154.56 29.79 Favored 'General case' 0 CA--C 1.499 -1.019 0 O-C-N 119.381 -2.074 . . . . 71.12 107.01 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.45 147.2 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 117.97 2.581 . . . . 135.68 117.97 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.276 24.5 m-20 -105.94 168.79 8.89 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.381 2.672 . . . . 141.25 105.511 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 116.913 2.19 . . . . 271.48 116.913 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -106.99 0.66 23.86 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 129.223 3.009 . . . . 310.7 110.678 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.93 162.87 17.82 Favored Glycine 0 CA--C 1.467 -2.937 0 N-CA-C 117.751 1.86 . . . . 87.6 117.751 -154.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.18 145.37 35.58 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 124.413 2.054 . . . . 79.41 105.471 168.401 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -110.41 130.43 55.56 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.573 -1.649 . . . . 62.25 109.02 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.37 132.97 47.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 C-N-CA 126.609 1.964 . . . . 93.73 106.505 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.11 121.24 27.17 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 122.936 1.35 . . . . 111.65 110.139 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.57 -10.24 11.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.441 -1.709 . . . . 122.61 110.024 -171.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.261 . . 85.49 165.79 0.09 Allowed 'General case' 0 C--N 1.364 1.213 0 C-N-CA 129.738 3.215 . . . . 108.78 119.185 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 82.03 8.05 0.93 Allowed 'General case' 0 C--N 1.364 1.228 0 C-N-CA 130.539 3.535 . . . . 249.36 110.806 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.67 -11.77 53.6 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.676 1.608 . . . . 261.8 113.736 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.31 143.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 125.103 1.361 . . . . 162.68 110.927 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.78 154.38 27.49 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.732 1.613 . . . . 124.5 112.097 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.64 -163.72 28.14 Favored Glycine 0 C--N 1.363 2.077 0 C-N-CA 125.176 1.369 . . . . 66.69 110.187 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.92 138.24 42.44 Favored 'General case' 0 C--N 1.364 1.238 0 O-C-N 120.099 -1.824 . . . . 130.64 114.352 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.19 132.23 41.32 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 102.507 -3.146 . . . . 173.09 102.507 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 66.4 mtp180 . . . . . 0 C--N 1.348 0.505 0 C-N-CA 127.687 2.395 . . . . 234.38 113.964 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.224 -0.288 0 N-CA-C 115.991 1.849 . . . . 156.32 115.991 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.36 123.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 129.057 2.943 . . . . 268.83 115.092 171.015 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.29 -3.64 64.11 Favored Glycine 0 C--N 1.362 2.006 0 C-N-CA 125.5 1.524 . . . . 172.39 113.531 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.82 130.51 34.66 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.334 1.854 . . . . 159.43 107.568 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -105.18 149.84 25.58 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.785 1.772 . . . . 194.78 115.785 -174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.91 158.81 36.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 127.248 2.219 . . . . 166.4 106.362 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -95.18 122.4 37.82 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.595 1.958 . . . . 114.41 106.563 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.22 169.66 15.09 Favored 'General case' 0 CA--C 1.477 -1.855 0 N-CA-C 102.346 -3.205 . . . . 105.33 102.346 -166.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -99.03 136.35 39.13 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 104.842 -2.281 . . . . 93.58 104.842 -170.729 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -96.49 103.72 15.65 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 102.002 -3.332 . . . . 129.39 102.002 -177.1 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.281 12.9 t -107.39 -55.77 2.3 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 112.829 0.677 . . . . 155.62 112.829 -164.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.9 165.12 29.24 Favored Glycine 0 C--N 1.351 1.368 0 N-CA-C 110.498 -1.041 . . . . 52.87 110.498 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.5 OUTLIER -124.41 142.29 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.904 0 C-N-CA 126.001 1.72 . . . . 127.12 107.536 178.774 . . . . . . . . 4 4 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -92.37 128.17 38.12 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.709 -1.589 . . . . 134.55 106.709 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.68 -20.59 62.68 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.641 1.576 . . . . 145.62 114.726 -178.967 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.46 -40.62 70.19 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 127.641 2.376 . . . . 115.07 115.493 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -12.94 15.25 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.349 -1.47 . . . . 103.56 109.919 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 63.32 46.41 4.47 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.109 2.564 . . . . 168.39 111.759 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.97 162.68 31.39 Favored 'General case' 0 N--CA 1.417 -2.121 0 C-N-CA 128.633 2.773 . . . . 71.7 109.19 -170.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.531 HG23 ' CG ' ' A' ' 2' ' ' PHE 0.266 8.9 pt -95.23 140.92 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 1 C-N-CA 134.106 4.963 . . . . 171.51 115.874 -173.016 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -111.66 130.77 55.66 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 103.333 -2.84 . . . . 75.12 103.333 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 145.1 50.88 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.449 -1.315 . . . . 127.79 107.449 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.1 t -106.62 123.24 47.82 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 103.907 -2.627 . . . . 189.29 103.907 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.411 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.379 11.7 m -49.23 -17.64 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 N-CA-C 127.552 6.13 . . . . 139.9 127.552 -167.081 . . . . . . . . 4 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -81.54 -42.31 20.36 Favored 'General case' 0 C--N 1.329 -0.322 1 C-N-CA 133.215 4.606 . . . . 366.01 118.914 -163.476 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 90.3 11.32 0.06 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.384 3.074 . . . . 200.7 114.746 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 pttm . . . . . 0 C--N 1.356 0.85 0 C-N-CA 126.754 2.022 . . . . 433.73 107.288 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.48 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 37.5 t80 . . . . . 0 CA--C 1.469 -2.171 0 N-CA-C 115.52 1.674 . . . . 254.42 115.52 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -50.84 -49.93 57.84 Favored 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 124.479 1.112 . . . . 212.44 113.249 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -80.01 -52.74 7.46 Favored 'General case' 0 C--N 1.378 1.836 1 C-N-CA 131.997 4.119 . . . . 205.99 116.634 163.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.408 ' HB3' ' HA ' ' A' ' 2' ' ' PHE . 40.9 t90 -52.63 -32.05 39.85 Favored 'General case' 0 C--N 1.373 1.593 1 C-N-CA 133.269 4.628 . . . . 104.03 116.28 -174.616 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.89 -31.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 C-N-CA 130.786 3.634 . . . . 55.88 114.189 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.32 -30.62 64.94 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.19 1.796 . . . . 50.11 114.559 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 tp -96.42 -39.78 9.42 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 115.923 1.823 . . . . 125.51 115.923 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -102.41 145.32 29.7 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 120.669 -1.269 . . . . 70.45 114.312 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -106.89 154.6 20.8 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-O 123.674 1.702 . . . . 60.0 115.476 -173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.78 125.5 28.26 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.035 -1.666 . . . . 147.71 109.499 165.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.65 -4.76 39.94 Favored Glycine 0 C--N 1.36 1.889 0 C-N-CA 123.916 0.769 . . . . 37.09 114.14 -162.614 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.5 161.37 16.26 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.81 1.644 . . . . 38.88 108.627 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.66 135.42 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 119.611 -1.931 . . . . 122.0 111.974 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.41 151.64 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.608 0 O-C-N 119.42 -2.05 . . . . 142.55 106.1 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 p -95.53 127.28 41.43 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.051 0.453 . . . . 78.3 110.049 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.07 151.18 17.07 Favored Glycine 0 CA--C 1.475 -2.466 0 N-CA-C 110.184 -1.166 . . . . 132.34 110.184 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.255 22.7 pttm -110.94 130.06 55.7 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 125.208 1.403 . . . . 178.17 114.161 -175.674 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.34 128.46 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 115.964 1.838 . . . . 110.83 115.964 -171.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.9 p -129.84 -54.1 1.14 Allowed 'General case' 0 C--N 1.369 1.438 0 N-CA-C 118.265 2.691 . . . . 113.29 118.265 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.72 134.01 36.69 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 104.556 -2.387 . . . . 71.12 104.556 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.23 141.03 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 115.863 1.801 . . . . 135.68 115.863 -169.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.262 1.4 m-20 -105.87 169.32 8.55 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.19 2.596 . . . . 141.25 104.806 170.117 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.09 70.88 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.348 -2.095 . . . . 271.48 116.555 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -107.45 -0.12 22.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.241 2.616 . . . . 310.7 110.491 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.94 145.03 17.81 Favored Glycine 0 CA--C 1.473 -2.538 0 C-N-CA 124.477 1.037 . . . . 87.6 114.218 -162.524 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.74 136.69 29.17 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.222 -2.14 . . . . 79.41 105.222 165.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 118.61 37.24 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 107.429 -1.323 . . . . 62.25 107.429 172.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.78 144.57 13.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.876 -1.157 . . . . 93.73 107.876 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -87.19 126.19 34.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.256 1.503 . . . . 111.65 111.248 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.95 -31.28 7.2 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 128.935 2.894 . . . . 122.61 109.906 -175.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.263 . . 96.71 163.98 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.738 3.215 . . . . 108.78 116.286 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . 0.257 7.7 t70 84.46 10.7 0.38 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 131.123 3.769 . . . . 249.36 110.67 -173.721 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.69 -30.82 7.8 Favored Glycine 0 C--N 1.363 2.065 0 C-N-CA 125.676 1.608 . . . . 261.8 113.785 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.74 143.05 12.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 126.699 2.0 . . . . 162.68 111.514 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.67 155.16 29.31 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 128.717 2.807 . . . . 124.5 110.317 -173.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' A' ' 76' ' ' ILE . . . -117.06 -161.67 12.32 Favored Glycine 0 C--N 1.368 2.34 0 CA-C-N 118.783 0.719 . . . . 66.69 111.366 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . 0.251 0.2 OUTLIER -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 119.141 3.015 . . . . 130.64 119.141 -172.559 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HA ' HG22 ' A' ' 80' ' ' VAL . 9.3 tt -130.03 114.63 16.03 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.245 -1.391 . . . . 173.09 107.245 171.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 C--N 1.371 1.521 0 C-N-CA 125.717 1.607 . . . . 234.38 113.738 176.215 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 118.287 2.699 . . . . 156.32 118.287 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.33 128.26 18.72 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 C-N-CA 132.242 4.217 . . . . 268.83 112.658 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.61 83.88 Favored Glycine 0 C--N 1.358 1.78 0 C-N-CA 128.05 2.738 . . . . 172.39 114.521 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -97.12 140.18 32.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.774 1.629 . . . . 159.43 107.667 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.9 150.06 28.25 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.804 2.149 . . . . 194.78 116.804 -173.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.56 156.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 127.001 2.12 . . . . 166.4 107.559 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.83 125.86 39.76 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.175 2.19 . . . . 114.41 112.701 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.9 171.03 14.06 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 105.827 -1.916 . . . . 105.33 105.827 -169.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -99.05 135.76 39.99 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.295 -1.743 . . . . 93.58 106.295 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.7 105.33 17.31 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 105.038 -2.208 . . . . 129.39 105.038 -176.737 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.3 t -150.04 15.97 0.84 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 116.788 2.144 . . . . 155.62 116.788 -167.722 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.24 136.28 4.08 Favored Glycine 0 C--N 1.351 1.364 0 N-CA-C 109.948 -1.261 . . . . 52.87 109.948 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.436 0.5 OUTLIER -128.33 143.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 119.902 -1.94 . . . . 127.12 112.388 -179.721 . . . . . . . . 4 4 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -95.13 126.66 40.61 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.944 -1.502 . . . . 134.55 106.944 170.398 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -70.54 -25.93 63.33 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.526 1.93 . . . . 145.62 114.637 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -81.36 -31.68 33.27 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.222 2.609 . . . . 115.07 113.27 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -99.55 -14.6 18.96 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.894 -1.129 . . . . 103.56 113.391 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 59.96 40.21 19.18 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.511 2.324 . . . . 168.39 112.919 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.31 33.12 Favored 'General case' 0 N--CA 1.419 -1.983 0 C-N-CA 128.825 2.85 . . . . 71.7 111.505 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.523 ' O ' ' HA2' ' A' ' 37' ' ' GLY 0.422 1.5 pp -96.9 141.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 1 C-N-CA 137.425 6.29 . . . . 171.51 116.912 179.343 . . . . . . . . 4 3 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.1 m -110.62 136.59 49.48 Favored 'General case' 0 C--O 1.25 1.113 1 C-N-CA 132.659 4.384 . . . . 75.12 104.411 173.484 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 76' ' ' ILE . 5.1 mt -129.7 146.93 51.44 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 123.25 1.5 . . . . 127.79 109.436 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 p -106.52 122.21 45.84 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 105.145 -2.168 . . . . 189.29 105.145 169.538 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 39' ' ' LEU 0.428 0.0 OUTLIER -50.09 -17.57 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 2 N-CA-C 126.079 5.585 . . . . 139.9 126.079 -166.001 . . . . . . . . 5 4 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -82.41 -34.39 28.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 131.141 3.776 . . . . 366.01 119.795 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 104.77 -55.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.101 0 C-N-CA 130.092 3.357 . . . . 200.7 107.908 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 102.099 -3.297 . . . . 433.73 102.099 177.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.468 ' CE2' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 N-CA-C 114.537 1.31 . . . . 254.42 114.537 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -49.09 -34.24 13.43 Favored 'General case' 0 CA--C 1.59 2.483 0 C-N-CA 127.639 2.376 . . . . 212.44 112.355 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.24 -34.42 55.91 Favored 'General case' 0 C--N 1.371 1.539 1 C-N-CA 137.493 6.317 . . . . 205.99 116.554 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -33.69 65.71 Favored 'General case' 0 C--N 1.35 0.591 1 C-N-CA 133.945 4.898 . . . . 104.03 115.668 -171.616 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -50.61 -31.14 9.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 C-N-CA 130.977 3.711 . . . . 55.88 115.009 -176.154 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.98 64.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 129.141 2.976 . . . . 50.11 113.645 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -95.69 -39.69 9.76 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.966 1.307 . . . . 125.51 113.872 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.06 125.63 41.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 128.227 2.611 . . . . 70.45 110.407 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 142.85 27.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 130.42 3.488 . . . . 60.0 118.039 -175.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.91 143.94 47.53 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.879 3.272 . . . . 147.71 113.256 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.07 52.78 Favored Glycine 0 C--N 1.375 2.74 0 CA-C-O 123.079 1.377 . . . . 37.09 114.417 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.15 -173.41 2.31 Favored 'General case' 0 CA--C 1.497 -1.075 0 C-N-CA 129.845 3.258 . . . . 38.88 109.197 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -112.41 137.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 128.111 2.564 . . . . 122.0 111.855 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -135.3 145.36 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 103.117 -2.92 . . . . 142.55 103.117 -176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 p -95.65 129.0 42.99 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.003 1.321 . . . . 78.3 109.105 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.25 167.36 29.02 Favored Glycine 0 C--N 1.368 2.323 0 C-N-CA 117.004 -2.522 . . . . 132.34 114.692 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.252 52.1 pttt -120.46 141.62 50.01 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 115.89 1.811 . . . . 178.17 115.89 -178.053 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.3 127.58 31.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.754 0 N-CA-C 114.119 1.155 . . . . 110.83 114.119 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.426 ' HA ' HG23 ' A' ' 58' ' ' VAL . 12.4 t -129.35 -7.49 4.74 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.026 -1.046 . . . . 113.29 113.424 -178.067 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.75 154.62 5.47 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.049 -2.204 . . . . 71.12 105.049 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -117.05 141.15 36.68 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-O 121.6 0.714 . . . . 135.68 109.403 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.274 2.6 m-20 -106.18 168.69 8.97 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.094 -1.817 . . . . 141.25 106.094 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -39.13 78.7 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 119.571 -1.956 . . . . 271.48 114.983 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -106.43 0.66 24.98 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 128.863 2.865 . . . . 310.7 110.849 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.38 169.52 19.2 Favored Glycine 0 C--N 1.365 2.143 0 N-CA-C 119.5 2.56 . . . . 87.6 119.5 -158.211 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.06 24.44 Favored 'General case' 0 N--CA 1.427 -1.618 1 N-CA-C 99.606 -4.22 . . . . 79.41 99.606 168.018 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.92 120.81 42.71 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.145 -2.168 . . . . 62.25 105.145 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.27 139.95 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 C-N-CA 124.919 1.287 . . . . 93.73 111.29 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.33 115.93 29.48 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.613 1.965 . . . . 111.65 107.971 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -27.61 18.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 127.806 2.442 . . . . 122.61 111.854 -174.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.304 . . 89.31 176.07 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.727 2.411 . . . . 108.78 113.511 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.9 t70 73.23 3.79 4.72 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.114 2.166 . . . . 249.36 111.905 -171.118 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.99 7.79 56.03 Favored Glycine 0 C--N 1.365 2.157 0 C-N-CA 126.996 2.236 . . . . 261.8 113.234 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.287 0.8 OUTLIER -101.97 138.32 26.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 O-C-N 119.84 -1.976 . . . . 162.68 113.494 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.83 154.59 45.28 Favored 'General case' 0 C--N 1.37 1.482 0 O-C-N 120.122 -1.611 . . . . 124.5 110.768 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -160.67 9.67 Favored Glycine 0 C--N 1.37 2.463 0 CA-C-N 119.712 1.142 . . . . 66.69 113.429 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -105.35 139.16 40.41 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 128.252 2.621 . . . . 130.64 113.493 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.62 132.63 44.2 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 104.25 -2.5 . . . . 173.09 104.25 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 . . . . . 0 C--N 1.358 0.964 0 O-C-N 119.155 -2.216 . . . . 234.38 115.019 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 123.382 1.563 . . . . 156.32 111.64 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -75.44 122.55 29.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 127.694 2.397 . . . . 268.83 106.689 162.72 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -3.28 40.83 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 120.977 -1.077 . . . . 172.39 112.219 -168.322 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.73 143.99 34.04 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.076 1.75 . . . . 159.43 106.618 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -112.35 153.93 26.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 117.68 2.474 . . . . 194.78 117.68 -173.091 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.8 t -140.24 152.87 21.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 103.76 -2.681 . . . . 166.4 103.76 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -95.62 132.06 41.17 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 107.856 -1.164 . . . . 114.41 107.856 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.93 169.31 15.96 Favored 'General case' 0 CA--C 1.475 -1.907 0 O-C-N 119.75 -1.844 . . . . 105.33 106.028 -168.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -99.04 140.66 32.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.424 -2.065 . . . . 93.58 105.424 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CE1' HG21 ' A' ' 76' ' ' ILE 0.283 0.5 OUTLIER -95.87 102.53 14.33 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.474 -3.158 . . . . 129.39 102.474 -176.318 . . . . . . . . 4 4 . 1 . 009 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.8 p -91.48 -62.15 1.5 Allowed 'General case' 0 C--N 1.384 2.072 0 N-CA-C 116.561 2.06 . . . . 155.62 116.561 -163.391 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.88 148.32 17.55 Favored Glycine 0 CA--C 1.491 -1.446 0 N-CA-C 106.028 -2.829 . . . . 52.87 106.028 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.605 HG12 HG22 ' A' ' 76' ' ' ILE . 0.7 OUTLIER -122.14 142.16 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.387 -1.338 . . . . 127.12 107.387 -179.709 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -97.37 128.59 44.32 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 121.229 -0.919 . . . . 134.55 111.111 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.08 -20.19 62.38 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.942 2.097 . . . . 145.62 116.034 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.26 -40.64 23.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.63 1.972 . . . . 115.07 114.594 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -12.49 15.42 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 121.275 -0.89 . . . . 103.56 110.077 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 62.73 49.28 3.83 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.973 2.909 . . . . 168.39 114.942 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 163.02 30.66 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 126.958 2.103 . . . . 71.7 112.029 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 HG12 ' A' ' 69' ' ' VAL . 1.3 pp -95.41 137.45 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 1 C-N-CA 132.608 4.363 . . . . 171.51 113.046 177.838 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -113.99 123.1 48.9 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 129.61 3.164 . . . . 75.12 104.358 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -113.67 144.71 42.47 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.665 -1.605 . . . . 127.79 106.665 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -107.58 145.43 33.24 Favored 'General case' 0 C--O 1.205 -1.266 0 N-CA-C 103.343 -2.836 . . . . 189.29 103.343 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.289 11.1 m -49.12 -15.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 1 N-CA-C 125.589 5.403 . . . . 139.9 125.589 -177.44 . . . . . . . . 3 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -58.97 -21.75 59.1 Favored 'General case' 0 C--N 1.327 -0.389 2 C-N-CA 132.142 4.177 . . . . 366.01 121.958 -146.074 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.54 -31.5 0.19 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.813 2.445 . . . . 200.7 115.546 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.5 mttp . . . . . 0 C--N 1.348 0.517 0 C-N-CA 131.451 3.9 . . . . 433.73 101.588 176.286 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.679 ' CG ' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.495 -1.136 0 N-CA-C 111.999 0.37 . . . . 254.42 111.999 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -32.62 11.32 Favored 'General case' 0 CA--C 1.592 2.587 0 C-N-CA 128.158 2.583 . . . . 212.44 113.494 -160.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -77.71 -50.32 12.65 Favored 'General case' 0 C--N 1.369 1.45 1 C-N-CA 138.223 6.609 . . . . 205.99 116.456 172.139 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.595 ' CD1' HG21 ' A' ' 35' ' ' VAL 0.263 0.2 OUTLIER -52.83 -31.87 41.34 Favored 'General case' 0 C--N 1.353 0.742 1 C-N-CA 135.007 5.323 . . . . 104.03 118.959 -177.158 . . . . . . . . 5 4 . 1 . 010 nuclear build core ' A' A ' 6' ' ' VAL . . . . . 0.479 HG22 ' CE2' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -49.02 -30.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 C-N-CA 130.987 3.715 . . . . 55.88 114.237 -176.138 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.3 72.48 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 129.748 3.219 . . . . 50.11 115.45 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 tp -96.0 -40.55 9.2 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 119.589 3.181 . . . . 125.51 119.589 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -127.61 158.04 38.59 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 119.724 -1.86 . . . . 70.45 112.534 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.26 147.55 26.92 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.36 1.464 . . . . 60.0 113.49 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -73.36 126.03 29.22 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 119.661 -1.899 . . . . 147.71 110.667 169.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -4.77 41.27 Favored Glycine 0 C--N 1.364 2.092 0 C-N-CA 125.021 1.295 . . . . 37.09 113.223 -164.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.29 164.99 12.07 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 125.608 1.563 . . . . 38.88 108.58 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.25 0.1 OUTLIER -116.75 136.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 127.264 2.225 . . . . 122.0 112.707 -174.809 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.0 165.76 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.3 0 N-CA-C 104.802 -2.296 . . . . 142.55 104.802 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.8 p -111.55 128.1 55.92 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 120.775 -1.203 . . . . 78.3 108.052 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.83 164.36 17.07 Favored Glycine 0 CA--C 1.483 -1.942 0 C-N-CA 121.114 -0.565 . . . . 132.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.34 135.89 53.53 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.866 2.066 . . . . 178.17 115.248 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG13 ' HA ' ' A' ' 58' ' ' VAL . 8.5 p -66.81 131.45 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 117.031 2.234 . . . . 110.83 117.031 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -127.4 -44.64 1.54 Allowed 'General case' 0 C--N 1.368 1.395 0 N-CA-C 118.174 2.657 . . . . 113.29 118.174 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.27 7.81 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.827 -2.286 . . . . 71.12 104.827 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.19 146.98 20.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 116.868 2.173 . . . . 135.68 116.868 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.06 169.91 8.22 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 128.009 2.524 . . . . 141.25 106.401 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.56 45.61 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.996 2.221 . . . . 271.48 116.996 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 0.19 23.02 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 128.097 2.559 . . . . 310.7 111.102 169.852 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.91 151.78 16.88 Favored Glycine 0 C--N 1.368 2.346 0 C-N-CA 126.621 2.058 . . . . 87.6 114.329 -165.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -142.46 137.61 30.43 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 101.173 -3.639 . . . . 79.41 101.173 167.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.23 55.5 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.845 -1.909 . . . . 62.25 105.845 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.99 137.73 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 106.403 -1.702 . . . . 93.73 106.403 -172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -92.64 124.76 36.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.301 1.84 . . . . 111.65 107.7 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 78' ' ' LEU . 1.4 mm? -103.38 -2.35 27.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 128.812 2.845 . . . . 122.61 115.004 -167.913 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.266 . . 75.2 140.58 0.07 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 118.917 2.932 . . . . 108.78 118.917 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 90.67 9.54 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 129.582 3.153 . . . . 249.36 108.347 -172.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.92 35.21 6.47 Favored Glycine 0 C--N 1.365 2.19 0 C-N-CA 126.248 1.88 . . . . 261.8 110.996 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' VAL . . . . . 0.595 HG21 ' CD1' ' A' ' 5' ' ' TRP . 21.2 t -110.63 145.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 C-N-CA 128.183 2.593 . . . . 162.68 112.208 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.65 154.95 44.66 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 126.977 2.111 . . . . 124.5 112.236 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.85 -152.35 6.19 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.18 -1.568 . . . . 66.69 109.18 165.073 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -111.11 138.73 47.17 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 119.165 3.024 . . . . 130.64 119.165 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 8.1 tt -114.38 110.02 19.24 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 106.337 -1.727 . . . . 173.09 106.337 168.74 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--N 1.364 1.225 0 C-N-CA 124.967 1.307 . . . . 234.38 112.568 -177.662 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 106.715 -1.587 . . . . 156.32 106.715 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.568 ' HA ' HG13 ' A' ' 19' ' ' VAL . 60.3 t -60.51 125.66 17.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.36 2.264 . . . . 268.83 114.873 -175.532 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.19 -3.62 64.34 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 124.778 1.18 . . . . 172.39 113.868 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.43 129.68 34.77 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 126.302 1.841 . . . . 159.43 108.451 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -95.72 153.55 17.68 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 119.527 3.158 . . . . 194.78 119.527 -168.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.7 162.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.155 2.182 . . . . 166.4 107.153 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -94.86 132.77 39.31 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.244 1.818 . . . . 114.41 109.121 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.77 168.93 18.14 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.872 -1.899 . . . . 105.33 105.872 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -101.34 131.25 47.5 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.932 1.693 . . . . 93.58 107.075 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.63 104.93 16.96 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.576 -3.12 . . . . 129.39 102.576 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.1 m -108.92 -50.45 3.01 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 114.42 1.267 . . . . 155.62 114.42 -160.618 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.86 173.96 41.49 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.369 -0.832 . . . . 52.87 112.305 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.443 HG11 ' CE2' ' A' ' 2' ' ' PHE 0.351 0.3 OUTLIER -126.19 141.89 44.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.199 0 C-N-CA 127.224 2.209 . . . . 127.12 110.33 179.42 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -95.04 128.15 41.65 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.154 -1.054 . . . . 134.55 108.154 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.4 mtt-85 -70.27 -21.85 62.92 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 128.455 2.702 . . . . 145.62 116.573 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.02 -35.66 31.62 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.882 2.073 . . . . 115.07 112.969 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.15 -14.42 15.39 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 121.532 -0.73 . . . . 103.56 112.969 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 54.22 42.1 31.67 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.877 3.271 . . . . 168.39 114.677 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.03 165.65 24.86 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 130.005 3.322 . . . . 71.7 109.442 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.679 HG23 ' CG ' ' A' ' 2' ' ' PHE 0.253 16.8 pt -93.9 139.36 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.81 1 C-N-CA 132.039 4.136 . . . . 171.51 114.353 -176.822 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -110.9 115.81 30.15 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 131.465 3.906 . . . . 75.12 100.991 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD22 HD11 ' A' ' 31' ' ' LEU . 3.2 pp -138.39 140.78 39.52 Favored 'General case' 0 CA--C 1.458 -2.563 0 N-CA-C 101.839 -3.393 . . . . 127.79 101.839 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.31 144.55 32.84 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 105.999 -1.852 . . . . 189.29 105.999 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.439 0.0 OUTLIER -51.13 -15.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 1 N-CA-C 123.507 4.632 . . . . 139.9 123.507 178.021 . . . . . . . . 4 3 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.13 -42.38 21.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 131.166 3.786 . . . . 366.01 119.437 -157.134 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 70.68 -45.47 0.6 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.795 2.438 . . . . 200.7 115.95 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 N--CA 1.447 -0.623 0 C-N-CA 127.372 2.269 . . . . 433.73 108.299 178.837 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 76' ' ' ILE . 35.4 t80 . . . . . 0 CA--C 1.507 -0.696 0 CA-C-O 118.199 -0.905 . . . . 254.42 112.381 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -50.49 -43.61 55.67 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.646 1.578 . . . . 212.44 114.394 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -79.23 -52.76 7.71 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.385 3.474 . . . . 205.99 115.73 164.834 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 2' ' ' PHE 0.262 60.4 t90 -54.77 -32.93 60.71 Favored 'General case' 0 C--N 1.373 1.6 1 C-N-CA 133.818 4.847 . . . . 104.03 116.228 -176.065 . . . . . . . . 4 3 . 1 . 011 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.21 -30.85 7.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 C-N-CA 131.49 3.916 . . . . 55.88 114.836 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.99 71.69 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 125.954 1.702 . . . . 50.11 113.565 172.245 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.8 tp -95.64 -40.29 9.48 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 114.24 1.2 . . . . 125.51 114.24 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.23 126.37 42.62 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 125.516 1.526 . . . . 70.45 114.879 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.37 158.19 17.06 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 131.426 3.89 . . . . 60.0 112.178 175.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.13 145.3 7.91 Favored 'General case' 0 C--N 1.366 1.287 1 C-N-CA 132.263 4.225 . . . . 147.71 117.601 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.71 40.32 Favored Glycine 0 C--N 1.371 2.496 0 C-N-CA 125.979 1.752 . . . . 37.09 112.295 -167.255 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.3 164.86 13.71 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 127.959 2.504 . . . . 38.88 109.086 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.312 2.9 pt -116.6 137.74 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 C-N-CA 126.691 1.996 . . . . 122.0 112.983 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.85 149.89 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.478 0 N-CA-C 104.485 -2.413 . . . . 142.55 104.485 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.2 m -107.17 128.2 54.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 102.631 -3.1 . . . . 78.3 102.631 167.744 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.14 168.08 30.72 Favored Glycine 0 CA--C 1.479 -2.174 0 C-N-CA 116.621 -2.704 . . . . 132.34 114.409 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -110.06 137.73 47.42 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 117.881 2.548 . . . . 178.17 117.881 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.443 HG13 ' HB1' ' A' ' 27' ' ' ALA . 21.8 t -68.5 129.05 32.85 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 114.003 -1.453 . . . . 110.83 114.388 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.433 ' HA ' HG23 ' A' ' 58' ' ' VAL . 24.8 p -133.15 -7.93 3.01 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.105 1.762 . . . . 113.29 112.472 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 28' ' ' THR . . . -160.66 154.62 22.77 Favored 'General case' 0 C--N 1.364 1.215 0 N-CA-C 104.14 -2.541 . . . . 71.12 104.14 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.61 142.33 32.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.413 1.085 . . . . 135.68 113.906 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.55 166.9 10.22 Favored 'General case' 0 C--N 1.37 1.489 0 N-CA-C 104.621 -2.363 . . . . 141.25 104.621 171.746 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.98 82.14 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.127 -2.233 . . . . 271.48 114.731 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -106.13 1.61 26.39 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.148 2.979 . . . . 310.7 111.644 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.35 170.93 20.19 Favored Glycine 0 C--N 1.371 2.478 0 C-N-CA 126.009 1.766 . . . . 87.6 117.37 -158.381 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.33 . . -141.81 137.05 31.23 Favored 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 102.445 -3.169 . . . . 79.41 102.445 168.441 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' THR . . . . . 0.438 ' HB ' ' HB3' ' A' ' 21' ' ' ALA . 27.3 m -99.89 118.14 35.69 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.307 2.243 . . . . 62.25 104.988 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.31 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 C-N-CA 125.536 1.534 . . . . 93.73 110.567 -168.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 10.6 tp10 -94.85 123.47 38.33 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 122.959 1.361 . . . . 111.65 110.199 173.461 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 HD11 ' A' ' 76' ' ' ILE . 1.9 mt -117.23 -19.83 9.47 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 128.279 2.632 . . . . 122.61 109.381 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 81.44 167.2 0.14 Allowed 'General case' 0 C--N 1.371 1.522 0 N-CA-C 118.9 2.926 . . . . 108.78 118.9 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t70 84.53 20.83 0.13 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 130.033 3.333 . . . . 249.36 109.04 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.41 6.47 Favored Glycine 0 C--N 1.371 2.516 0 C-N-CA 125.942 1.734 . . . . 261.8 114.209 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.42 137.17 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 128.195 2.598 . . . . 162.68 113.919 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 24.7 mt-10 -127.2 154.64 44.57 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.135 2.574 . . . . 124.5 111.667 -173.133 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.79 -161.17 10.69 Favored Glycine 0 N--CA 1.486 1.978 0 CA-C-O 118.526 -1.152 . . . . 66.69 115.723 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 18.7 m-85 -106.81 115.42 30.16 Favored 'General case' 0 C--N 1.379 1.854 0 C-N-CA 126.069 1.748 . . . . 130.64 114.896 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.627 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.9 tm? -138.64 107.64 6.01 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 106.708 -1.59 . . . . 173.09 106.708 170.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HD2' ' H ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.703 0 C-N-CA 128.418 2.687 . . . . 234.38 105.638 160.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 CA--C 1.497 -1.064 0 N-CA-C 106.353 -1.721 . . . . 156.32 106.353 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -75.65 122.35 29.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 126.566 1.946 . . . . 268.83 107.176 168.46 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.44 -2.89 42.95 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 121.164 -0.96 . . . . 172.39 112.64 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -102.68 141.5 35.39 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 105.899 -1.889 . . . . 159.43 105.899 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -119.0 133.08 56.05 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.343 1.457 . . . . 194.78 112.96 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 63' ' ' GLU 0.251 5.0 t -140.54 164.83 21.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.209 0 C-N-CA 129.532 3.133 . . . . 166.4 108.2 -174.727 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.512 ' H ' HG12 ' A' ' 62' ' ' VAL . 29.4 tt0 -94.3 130.63 40.51 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 128.821 2.849 . . . . 114.41 117.745 -175.499 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . 0.588 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . -135.9 170.37 16.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.578 -1.326 . . . . 105.33 108.287 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -99.93 133.26 44.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 127.569 2.348 . . . . 93.58 108.864 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.81 108.99 21.01 Favored 'General case' 0 C--N 1.366 1.312 0 N-CA-C 105.478 -2.045 . . . . 129.39 105.478 -173.606 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 t -148.59 5.29 0.7 Allowed 'General case' 0 C--N 1.38 1.914 0 N-CA-C 116.981 2.215 . . . . 155.62 116.981 -161.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 135.68 3.78 Favored Glycine 0 C--N 1.349 1.292 0 N-CA-C 109.496 -1.442 . . . . 52.87 109.496 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.46 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.341 1.2 m -127.67 142.6 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 120.031 -1.864 . . . . 127.12 109.727 178.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -95.06 126.93 40.73 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.537 -0.912 . . . . 134.55 108.537 175.297 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -70.56 -17.36 62.92 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.485 1.914 . . . . 145.62 115.834 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -81.35 -34.4 31.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.043 2.537 . . . . 115.07 113.154 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.22 -14.89 15.0 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 120.553 -1.342 . . . . 103.56 112.808 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 56.58 42.65 26.87 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 129.374 3.07 . . . . 168.39 112.615 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.56 162.74 31.1 Favored 'General case' 0 N--CA 1.417 -2.077 0 C-N-CA 128.773 2.829 . . . . 71.7 108.878 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.573 HG23 ' CD2' ' A' ' 2' ' ' PHE 0.317 0.5 OUTLIER -95.54 141.25 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 1 C-N-CA 134.8 5.24 . . . . 171.51 117.227 -172.834 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.9 m -113.16 129.55 56.48 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 131.364 3.866 . . . . 75.12 102.695 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -124.76 145.11 49.9 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.33 -1.359 . . . . 127.79 107.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 m -107.12 145.01 33.0 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 104.232 -2.507 . . . . 189.29 104.232 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 80' ' ' VAL . 8.7 p -47.96 -16.21 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.427 2 N-CA-C 123.269 4.544 . . . . 139.9 123.269 -172.211 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -62.41 -42.28 99.32 Favored 'General case' 0 C--N 1.319 -0.734 2 C-N-CA 133.175 4.59 . . . . 366.01 122.88 -148.186 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 72.93 -52.67 0.71 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.202 2.201 . . . . 200.7 113.852 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 pttt . . . . . 0 C--N 1.351 0.673 0 C-N-CA 126.833 2.053 . . . . 433.73 108.947 177.639 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.458 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 121.594 0.711 . . . . 254.42 109.861 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -33.21 14.75 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 129.042 2.937 . . . . 212.44 112.396 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -78.41 -53.04 7.69 Favored 'General case' 0 C--N 1.378 1.813 1 C-N-CA 132.484 4.314 . . . . 205.99 115.417 166.813 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -33.53 63.86 Favored 'General case' 0 C--N 1.362 1.137 1 C-N-CA 135.028 5.331 . . . . 104.03 116.274 -178.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -49.85 -30.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 1 C-N-CA 131.848 4.059 . . . . 55.88 114.823 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.27 -21.2 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.011 2.524 . . . . 50.11 114.925 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.0 mt -95.48 -39.75 9.82 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 117.076 2.25 . . . . 125.51 117.076 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -127.78 155.9 43.32 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.086 2.154 . . . . 70.45 115.001 -171.409 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -106.17 145.9 30.93 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.508 1.523 . . . . 60.0 113.214 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -72.45 145.73 47.39 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 131.646 3.978 . . . . 147.71 114.747 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.28 -3.85 40.61 Favored Glycine 0 C--N 1.374 2.689 0 C-N-CA 124.833 1.206 . . . . 37.09 113.184 -168.141 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.97 133.12 42.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 130.048 3.339 . . . . 38.88 105.792 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mm -89.72 133.92 30.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 125.573 1.549 . . . . 122.0 109.427 -172.679 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.01 149.79 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.404 0 N-CA-C 102.593 -3.114 . . . . 142.55 102.593 -168.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.32 9.0 t -110.05 129.89 55.62 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 123.175 1.464 . . . . 78.3 111.609 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.5 170.54 18.3 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 114.043 -1.435 . . . . 132.34 112.343 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 22.0 pttm -110.7 144.32 39.82 Favored 'General case' 0 CA--C 1.479 -1.779 0 N-CA-C 114.573 1.323 . . . . 178.17 114.573 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.274 21.5 t -84.68 124.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 124.445 1.098 . . . . 110.83 110.946 -177.718 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' THR . . . . . 0.521 ' HA ' HG23 ' A' ' 58' ' ' VAL . 64.6 p -119.0 -35.48 3.63 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 116.987 2.217 . . . . 113.29 116.987 -166.516 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.17 148.86 4.95 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 103.289 -2.856 . . . . 71.12 103.289 -173.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.4 m -117.36 146.78 21.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 114.964 1.468 . . . . 135.68 114.964 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 169.21 8.61 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.908 2.083 . . . . 141.25 107.318 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.05 65.47 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.048 2.139 . . . . 271.48 115.8 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -106.7 0.05 23.98 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 128.282 2.633 . . . . 310.7 110.887 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.72 162.87 16.34 Favored Glycine 0 CA--C 1.476 -2.355 0 CA-C-O 124.349 2.083 . . . . 87.6 117.766 -154.699 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -141.34 131.96 25.54 Favored 'General case' 0 N--CA 1.424 -1.736 1 N-CA-C 98.385 -4.672 . . . . 79.41 98.385 170.091 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.72 129.07 54.67 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 104.082 -2.562 . . . . 62.25 104.082 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -114.23 144.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 C-N-CA 125.591 1.556 . . . . 93.73 108.473 -171.137 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 82.7 tt0 -103.92 118.03 35.72 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.471 1.509 . . . . 111.65 108.373 173.724 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.29 -20.58 28.18 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 128.626 2.77 . . . . 122.61 112.0 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 80.03 165.54 0.18 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.659 1.984 . . . . 108.78 115.364 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 73.92 7.0 4.89 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.961 2.104 . . . . 249.36 111.322 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.66 20.32 Favored Glycine 0 C--N 1.366 2.202 0 C-N-CA 126.943 2.211 . . . . 261.8 114.181 -174.55 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -103.34 134.08 45.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.663 1.585 . . . . 162.68 113.149 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 34.3 mt-10 -127.71 154.3 45.5 Favored 'General case' 0 C--N 1.372 1.558 0 O-C-N 119.762 -1.836 . . . . 124.5 111.075 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -160.83 -154.26 7.32 Favored Glycine 0 C--N 1.367 2.29 0 N-CA-C 108.158 -1.977 . . . . 66.69 108.158 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.66 139.06 41.7 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 118.958 2.948 . . . . 130.64 118.958 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.572 HD21 HG13 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -124.89 127.31 46.91 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 120.02 -1.675 . . . . 173.09 108.88 172.783 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ARG . . . . . 0.433 ' H ' ' CG2' ' A' ' 80' ' ' VAL . 3.7 mpt_? . . . . . 0 C--N 1.365 1.279 0 O-C-N 119.545 -1.972 . . . . 234.38 112.712 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 CA--C 1.506 -0.735 0 CA-C-O 121.747 0.784 . . . . 156.32 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 20' ' ' THR . 4.3 p -74.61 121.66 26.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 120.737 -1.227 . . . . 268.83 108.828 169.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.64 40.3 Favored Glycine 0 C--N 1.361 1.966 0 O-C-N 121.408 -0.808 . . . . 172.39 113.132 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -95.74 133.28 40.03 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.359 1.464 . . . . 159.43 108.671 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -96.25 148.96 22.19 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.512 2.041 . . . . 194.78 116.512 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.37 158.39 28.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.058 -1.46 . . . . 166.4 107.058 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -105.06 127.95 53.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.142 1.777 . . . . 114.41 108.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.84 168.15 20.28 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 119.81 -1.806 . . . . 105.33 108.418 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HG2' HG23 ' A' ' 67' ' ' THR . 31.8 ttpt -100.92 117.43 34.97 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 107.461 -1.311 . . . . 93.58 107.461 -174.234 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.19 104.8 16.85 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 104.902 -2.258 . . . . 129.39 104.902 -170.524 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -129.17 -45.45 1.24 Allowed 'General case' 0 C--N 1.381 1.956 0 N-CA-C 117.375 2.361 . . . . 155.62 117.375 -161.36 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.44 162.99 24.09 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 119.48 1.036 . . . . 52.87 112.657 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.259 0.2 OUTLIER -127.45 141.8 45.36 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 C-N-CA 127.559 2.344 . . . . 127.12 106.644 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.19 126.94 35.69 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.327 -2.101 . . . . 134.55 105.327 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -70.04 -16.65 63.18 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.265 1.826 . . . . 145.62 115.859 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.214 2.206 . . . . 115.07 112.782 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.25 -14.63 15.3 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 121.257 -0.902 . . . . 103.56 112.326 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 54.45 42.44 31.37 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.566 3.547 . . . . 168.39 114.215 -173.312 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.51 163.87 28.43 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.385 2.274 . . . . 71.7 105.568 -173.138 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.16 138.45 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 C-N-CA 131.878 4.071 . . . . 171.51 114.755 -169.377 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -113.51 116.84 30.2 Favored 'General case' 0 N--CA 1.434 -1.243 1 C-N-CA 133.483 4.713 . . . . 75.12 103.424 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.411 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -144.53 134.06 23.36 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 103.562 -2.755 . . . . 127.79 103.562 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 m -107.62 145.21 33.59 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 106.869 -1.53 . . . . 189.29 106.869 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.572 HG13 HD21 ' A' ' 39' ' ' LEU 0.388 0.2 OUTLIER -48.91 -14.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 1 N-CA-C 123.42 4.6 . . . . 139.9 123.42 -176.987 . . . . . . . . 5 4 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -80.75 -23.47 39.37 Favored 'General case' 0 C--N 1.323 -0.58 1 N-CA-C 123.001 4.445 . . . . 366.01 123.001 -150.657 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 71.08 -55.33 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 117.83 2.53 . . . . 200.7 117.83 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--N 1.355 0.813 0 O-C-N 120.5 -1.375 . . . . 433.73 110.295 -177.952 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB2' ' H ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.82 0.819 . . . . 107.41 110.835 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 30.9 t80 -55.09 -35.26 64.4 Favored 'General case' 0 N--CA 1.437 -1.082 1 C-N-CA 134.208 5.003 . . . . 254.42 115.622 173.753 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.13 -40.17 60.96 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.929 2.492 . . . . 212.44 114.026 -171.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.29 -42.58 36.41 Favored 'General case' 0 C--N 1.365 1.282 1 C-N-CA 135.09 5.356 . . . . 205.99 114.249 173.252 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -33.7 76.36 Favored 'General case' 0 N--CA 1.44 -0.947 1 C-N-CA 134.599 5.16 . . . . 104.03 116.866 -172.27 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG22 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -49.05 -31.27 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 128.804 2.842 . . . . 55.88 114.402 -176.655 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.82 66.42 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.431 3.092 . . . . 50.11 114.709 174.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.78 -39.35 9.48 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 117.532 2.419 . . . . 125.51 117.532 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.24 127.78 46.18 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.067 2.947 . . . . 70.45 113.331 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -106.63 156.73 18.3 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.929 2.492 . . . . 60.0 115.926 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -64.73 146.61 54.52 Favored 'General case' 0 C--N 1.363 1.159 1 C-N-CA 132.703 4.401 . . . . 147.71 115.068 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.99 -4.23 38.73 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 123.312 1.506 . . . . 37.09 114.465 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.26 171.68 8.77 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 130.923 3.689 . . . . 38.88 108.188 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER -116.71 135.28 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 120.268 -1.52 . . . . 122.0 111.859 -177.737 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.9 t -135.9 145.57 30.94 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 N-CA-C 103.694 -2.706 . . . . 142.55 103.694 -170.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -97.36 127.82 43.65 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.408 0.683 . . . . 78.3 110.298 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.84 160.62 21.15 Favored Glycine 0 CA--C 1.477 -2.342 0 N-CA-C 110.891 -0.884 . . . . 132.34 110.891 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.272 16.3 pttp -110.9 130.89 55.45 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 117.164 2.283 . . . . 178.17 117.164 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.43 137.1 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.179 0.992 . . . . 110.83 111.827 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 30' ' ' GLU . 6.6 t -160.42 -30.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 119.199 -2.188 . . . . 113.29 116.663 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.0 154.16 35.46 Favored 'General case' 0 C--N 1.367 1.326 0 CA-C-N 119.879 1.218 . . . . 71.12 108.323 -171.439 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.08 146.0 22.09 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 117.695 2.48 . . . . 135.68 117.695 -174.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.308 2.1 m-20 -105.67 169.47 8.45 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 129.025 2.93 . . . . 141.25 105.011 172.155 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.21 89.63 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 118.853 -2.405 . . . . 271.48 115.255 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -106.97 0.89 24.05 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.646 3.178 . . . . 310.7 111.172 173.462 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.66 169.57 20.77 Favored Glycine 0 CA--C 1.475 -2.437 0 CA-C-O 123.925 1.847 . . . . 87.6 117.443 -156.046 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.69 131.52 37.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.817 -3.031 . . . . 79.41 102.817 167.844 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.8 114.87 29.35 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.805 -3.035 . . . . 62.25 102.805 174.145 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.263 7.9 p -102.72 133.23 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 C-N-CA 126.935 2.094 . . . . 93.73 106.483 -167.226 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' HG21 ' A' ' 20' ' ' THR 0.28 15.0 tp10 -83.65 122.55 28.76 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 123.5 1.619 . . . . 111.65 112.672 -173.578 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.328 1.1 tm? -123.04 2.88 9.34 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 112.154 -2.294 . . . . 122.61 111.818 -164.016 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.275 . . 78.16 155.14 0.15 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 120.856 3.65 . . . . 108.78 120.856 169.491 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 73.11 23.83 2.6 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.787 2.835 . . . . 249.36 109.542 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.19 -38.6 3.21 Favored Glycine 0 C--N 1.36 1.879 0 C-N-CA 126.001 1.763 . . . . 261.8 114.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.03 146.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 116.875 2.176 . . . . 162.68 116.875 -171.221 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -106.9 154.66 20.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 128.967 2.907 . . . . 124.5 113.635 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -139.7 8.79 Favored Glycine 0 C--N 1.362 1.991 0 N-CA-C 109.651 -1.379 . . . . 66.69 109.651 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -128.52 138.13 52.11 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.377 -2.249 . . . . 130.64 112.103 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.36 131.21 39.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 120.135 -1.603 . . . . 173.09 107.114 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 49.4 mtp180 -80.58 156.43 26.45 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 128.701 2.8 . . . . 234.38 112.834 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.12 -25.41 8.82 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 129.723 3.209 . . . . 67.0 118.265 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -67.92 -18.79 64.88 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 129.282 3.033 . . . . 92.06 114.625 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . 0.268 47.0 mm-40 73.0 -53.08 0.71 Allowed 'General case' 0 C--N 1.368 1.375 0 C-N-CA 128.125 2.57 . . . . 241.64 115.956 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 176.38 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.243 2.617 . . . . 115.06 108.39 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.272 68.1 p 89.44 -112.72 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 127.078 2.151 . . . . 89.7 108.53 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 173.13 -35.98 0.0 OUTLIER 'General case' 0 C--N 1.351 0.635 0 C-N-CA 129.788 3.235 . . . . 131.17 106.682 -176.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.89 -80.83 0.38 Allowed 'General case' 0 C--N 1.36 1.051 0 O-C-N 121.108 -0.995 . . . . 115.97 111.022 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -154.15 159.14 41.3 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.607 -1.308 . . . . 295.16 108.234 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.482 HG23 ' H ' ' A' ' 50' ' ' GLU 0.427 17.0 m 65.75 -106.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.254 1 C-N-CA 133.113 4.565 . . . . 224.7 111.343 -177.645 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 49' ' ' VAL . 11.5 mp0 -117.25 128.44 55.08 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 106.637 -1.616 . . . . 111.84 106.637 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.439 36.9 m-20 -122.4 -112.6 0.32 Allowed 'General case' 0 CA--C 1.489 -1.395 1 N-CA-C 99.901 -4.111 . . . . 210.5 99.901 163.833 . . . . . . . . 3 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.534 ' HB1' HD23 ' A' ' 56' ' ' LEU . . . -48.43 -12.22 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.007 2.523 . . . . 72.77 117.649 165.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -60.53 -26.07 66.6 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 130.044 3.338 . . . . 87.74 114.12 -174.191 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.14 -20.67 40.85 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.681 1.992 . . . . 161.64 115.047 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.405 4.9 p -120.95 17.64 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.502 0 C-N-CA 125.743 1.617 . . . . 155.98 114.765 -172.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.534 HD23 ' HB1' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -133.08 132.71 42.05 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.868 -3.012 . . . . 155.03 102.868 162.033 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -111.9 164.37 13.17 Favored 'General case' 0 CA--C 1.505 -0.779 1 C-N-CA 134.638 5.175 . . . . 156.32 112.476 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.1 122.5 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 C-N-CA 126.313 1.845 . . . . 268.83 109.958 166.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.9 -3.93 62.81 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 129.111 3.243 . . . . 172.39 114.093 -169.355 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.7 149.18 29.35 Favored 'General case' 0 C--N 1.368 1.395 0 O-C-N 120.335 -1.685 . . . . 159.43 107.349 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.65 152.25 24.56 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 119.159 3.022 . . . . 194.78 119.159 -170.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.62 160.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 126.768 2.027 . . . . 166.4 107.521 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -95.25 128.88 42.44 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.267 1.827 . . . . 114.41 111.875 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.61 170.3 14.94 Favored 'General case' 0 CA--C 1.478 -1.804 0 N-CA-C 103.06 -2.941 . . . . 105.33 103.06 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -98.48 141.02 31.86 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 104.906 -2.257 . . . . 93.58 104.906 -170.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.0 102.32 14.09 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 103.735 -2.691 . . . . 129.39 103.735 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -66.64 0.88 Allowed 'General case' 0 C--N 1.372 1.58 0 CA-C-N 113.879 -1.509 . . . . 155.62 114.359 -165.616 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.5 165.98 38.18 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 125.963 1.744 . . . . 52.87 110.279 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -122.09 142.4 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 C-N-CA 127.644 2.378 . . . . 127.12 108.297 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -94.42 127.88 40.61 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 106.441 -1.689 . . . . 134.55 106.441 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -67.23 -32.15 72.99 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.759 2.423 . . . . 145.62 115.835 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.92 -29.39 44.17 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.584 2.354 . . . . 115.07 113.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -102.68 -13.78 16.95 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 121.529 -0.732 . . . . 103.56 111.809 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 54.99 33.08 19.44 Favored 'General case' 0 C--N 1.37 1.477 1 C-N-CA 131.84 4.056 . . . . 168.39 116.79 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.06 164.49 27.2 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 129.83 3.252 . . . . 71.7 109.547 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.42 HG23 ' CG ' ' A' ' 2' ' ' PHE . 1.2 pp -94.47 140.54 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 1 C-N-CA 135.247 5.419 . . . . 171.51 114.259 -174.536 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -109.03 123.81 49.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.378 3.071 . . . . 75.12 105.725 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.86 133.54 53.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.63 1.972 . . . . 127.79 108.445 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 t -105.89 123.27 47.7 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.007 -2.59 . . . . 189.29 104.007 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.376 4.4 m -49.19 -16.94 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 1 N-CA-C 126.835 5.865 . . . . 139.9 126.835 -165.284 . . . . . . . . 4 3 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -81.49 -42.35 20.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 121.231 3.789 . . . . 366.01 121.231 -154.161 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.25 . . 115.78 -73.34 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 129.551 3.141 . . . . 200.7 108.747 -170.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -93.58 -48.99 6.1 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 120.187 -1.571 . . . . 433.73 114.739 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.7 t70 73.7 -71.6 0.13 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.841 2.057 . . . . 485.87 113.953 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -88.68 56.4 3.75 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 126.401 1.88 . . . . 128.36 112.592 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -152.31 59.88 0.83 Allowed 'General case' 0 C--N 1.352 0.69 0 N-CA-C 107.715 -1.217 . . . . 324.71 107.715 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -123.32 -13.89 7.56 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.448 1.499 . . . . 295.51 113.408 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 169.86 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.727 -1.953 . . . . 223.82 105.727 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm . . . . . 0 C--O 1.261 1.707 0 C-N-CA 129.177 2.991 . . . . 123.21 110.759 -178.412 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 9.9 ptm . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.499 0.666 . . . . 107.41 109.423 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.509 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.271 0.0 OUTLIER -51.9 -28.67 17.07 Favored 'General case' 0 C--N 1.357 0.923 1 C-N-CA 132.448 4.299 . . . . 254.42 112.895 168.79 . . . . . . . . 5 4 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -48.66 -34.28 11.53 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 128.222 2.609 . . . . 212.44 113.485 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.66 -33.16 53.52 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 138.648 6.779 . . . . 205.99 117.903 171.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -73.25 -33.2 65.16 Favored 'General case' 0 C--N 1.355 0.841 1 C-N-CA 133.685 4.794 . . . . 104.03 114.981 -172.316 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.455 HG22 ' CZ ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER -49.78 -30.9 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 131.513 3.925 . . . . 55.88 114.69 -177.479 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.08 -34.94 49.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.122 2.569 . . . . 50.11 113.451 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.23 -38.47 10.54 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 126.987 2.115 . . . . 125.51 115.414 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.66 127.7 47.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.551 2.34 . . . . 70.45 111.71 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HE3' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -104.13 156.16 18.11 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.361 2.264 . . . . 60.0 114.016 178.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -72.36 145.83 47.49 Favored 'General case' 0 C--N 1.364 1.202 1 C-N-CA 132.053 4.141 . . . . 147.71 114.842 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.25 -4.13 40.82 Favored Glycine 0 C--N 1.367 2.272 0 C-N-CA 125.865 1.698 . . . . 37.09 112.749 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.28 168.66 10.76 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 129.501 3.12 . . . . 38.88 110.514 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mm -109.83 135.33 49.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 125.19 1.396 . . . . 122.0 109.434 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 m -135.89 145.84 30.51 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 104.087 -2.56 . . . . 142.55 104.087 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -101.22 128.42 47.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 121.026 -1.047 . . . . 78.3 110.016 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.13 160.93 25.53 Favored Glycine 0 CA--C 1.478 -2.27 0 C-N-CA 120.224 -0.989 . . . . 132.34 113.245 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' ' 30' ' ' GLU . 8.8 ptpp? -114.22 139.06 49.7 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 116.836 2.161 . . . . 178.17 116.836 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.13 128.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.834 1.254 . . . . 110.83 114.109 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.8 p -129.36 -47.34 1.19 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.408 2.003 . . . . 113.29 116.408 -174.546 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.45 150.58 23.53 Favored 'General case' 0 CA--C 1.486 -1.503 0 N-CA-C 102.802 -3.036 . . . . 71.12 102.802 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 20.0 m -119.76 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 116.103 1.89 . . . . 135.68 116.103 -175.756 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -105.57 169.79 8.26 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.956 2.502 . . . . 141.25 105.41 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.09 64.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.887 2.18 . . . . 271.48 116.887 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -106.9 -0.14 23.45 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.287 2.235 . . . . 310.7 109.516 171.039 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.49 155.76 16.04 Favored Glycine 0 CA--C 1.476 -2.377 0 CA-C-O 123.571 1.65 . . . . 87.6 115.951 -160.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -139.98 132.15 28.1 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 100.485 -3.895 . . . . 79.41 100.485 168.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -101.76 114.92 29.42 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 102.718 -3.067 . . . . 62.25 102.718 173.331 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.44 139.32 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.749 -1.204 . . . . 93.73 107.749 -173.731 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB3' ' HG3' ' A' ' 18' ' ' LYS . 33.1 tt0 -90.72 126.24 35.93 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 124.9 1.28 . . . . 111.65 109.034 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.72 -9.57 18.06 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 127.877 2.471 . . . . 122.61 113.143 -170.088 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 76.11 151.41 0.12 Allowed 'General case' 0 C--N 1.357 0.902 0 N-CA-C 118.324 2.712 . . . . 108.78 118.324 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 77.52 11.23 2.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.463 1.905 . . . . 249.36 110.46 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.06 19.25 19.79 Favored Glycine 0 C--N 1.364 2.085 0 C-N-CA 125.914 1.721 . . . . 261.8 114.53 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.353 0.6 OUTLIER -109.53 146.02 15.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 120.364 -1.668 . . . . 162.68 111.377 178.255 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.29 154.72 44.56 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 128.414 2.686 . . . . 124.5 108.815 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.87 -152.57 6.11 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 119.295 -1.431 . . . . 66.69 111.252 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -107.29 139.22 42.1 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.52 2.044 . . . . 130.64 116.52 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 8.2 tt -125.55 119.64 28.69 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.265 -2.865 . . . . 173.09 103.265 168.644 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -81.06 135.27 35.8 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 120.551 1.523 . . . . 234.38 112.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.24 75.6 Favored 'General case' 0 C--N 1.374 1.664 0 C-N-CA 125.672 1.589 . . . . 67.0 113.92 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 m -59.73 -18.77 45.44 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.777 2.831 . . . . 92.06 116.712 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -108.98 28.56 8.35 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 126.631 1.973 . . . . 241.64 110.56 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.81 -62.18 0.09 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.716 -1.24 . . . . 115.06 109.261 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.8 p -114.61 -45.05 3.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.428 1.491 . . . . 89.7 114.038 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' A' ' 47' ' ' ASP . 17.3 tpt180 94.95 178.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 C-N-CA 130.581 3.553 . . . . 131.17 106.595 -167.33 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 46' ' ' ARG . 26.8 t0 -123.04 1.82 9.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.468 1.507 . . . . 115.97 109.945 177.817 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -128.61 4.03 5.55 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 125.86 1.664 . . . . 295.16 111.861 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.626 HG22 ' H ' ' A' ' 50' ' ' GLU . 9.9 p -165.42 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.915 0 N-CA-C 103.742 -2.688 . . . . 224.7 103.742 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.626 ' H ' HG22 ' A' ' 49' ' ' VAL . 54.5 mt-10 -111.29 131.19 55.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 129.79 3.236 . . . . 111.84 107.069 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.273 48.4 m-20 -118.9 -113.85 0.33 Allowed 'General case' 0 CA--C 1.49 -1.339 1 N-CA-C 99.783 -4.154 . . . . 210.5 99.783 173.548 . . . . . . . . 3 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.381 . . -55.92 -9.57 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 118.668 2.84 . . . . 72.77 118.668 168.039 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.06 67.27 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 123.386 2.812 . . . . 87.74 116.604 -164.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -80.39 -20.67 43.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 126.963 2.105 . . . . 161.64 113.255 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.351 2.6 m -109.44 17.55 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.815 0 C-N-CA 127.092 2.157 . . . . 155.98 113.297 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.4 131.45 43.63 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 100.637 -3.838 . . . . 155.03 100.637 168.562 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -112.46 160.85 17.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 111.119 -2.764 . . . . 156.32 109.476 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.41 125.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.517 2.727 . . . . 268.83 109.161 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.94 82.15 Favored Glycine 0 C--N 1.361 1.949 0 C-N-CA 125.319 1.437 . . . . 172.39 114.06 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.05 135.3 39.24 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 105.32 -2.104 . . . . 159.43 105.32 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.01 150.97 27.75 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 115.158 1.54 . . . . 194.78 115.158 -173.086 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.53 160.6 27.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 C-N-CA 128.81 2.844 . . . . 166.4 108.174 -177.512 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 124.28 39.15 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.029 2.132 . . . . 114.41 111.87 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.68 168.25 17.47 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 103.88 -2.637 . . . . 105.33 103.88 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -99.86 127.42 46.03 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 106.451 -1.685 . . . . 93.58 106.451 -170.266 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.86 104.27 16.2 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 104.419 -2.437 . . . . 129.39 104.419 -175.125 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.254 4.5 t -112.45 -49.42 2.95 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 114.878 1.436 . . . . 155.62 114.878 -162.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.59 156.55 26.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 121.431 -0.793 . . . . 52.87 112.117 -176.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.29 0.5 OUTLIER -117.59 142.44 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 127.097 2.159 . . . . 127.12 109.87 177.505 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.87 127.41 38.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.727 -1.583 . . . . 134.55 106.727 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -70.15 -31.71 69.35 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 116.566 2.061 . . . . 145.62 116.566 -173.234 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -65.13 -41.12 95.13 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.93 2.492 . . . . 115.07 116.158 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.65 -13.13 15.11 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 120.951 -1.093 . . . . 103.56 110.616 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.331 35.4 ttp180 62.22 53.54 2.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 128.497 2.719 . . . . 168.39 115.104 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -132.09 162.83 29.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 126.609 1.963 . . . . 71.7 108.596 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.495 ' H ' ' HE1' ' A' ' 1' ' ' MET 0.351 2.1 pp -96.19 138.44 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 1 C-N-CA 133.063 4.545 . . . . 171.51 118.268 -176.621 . . . . . . . . 4 3 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -109.31 129.71 55.51 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 130.299 3.44 . . . . 75.12 105.417 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.51 146.7 52.1 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 106.527 -1.657 . . . . 127.79 106.527 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -107.47 136.86 46.54 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 106.419 -1.697 . . . . 189.29 106.419 164.313 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -49.31 -17.06 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 2 C-N-CA 133.778 4.831 . . . . 139.9 122.807 -173.751 . . . . . . . . 4 4 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.23 -23.35 38.11 Favored 'General case' 0 CA--C 1.507 -0.699 1 C-N-CA 132.731 4.413 . . . . 366.01 118.987 -156.722 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.37 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.715 2.406 . . . . 200.7 112.392 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -130.86 20.01 5.03 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.471 1.908 . . . . 433.73 108.454 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 73.62 48.48 0.15 Allowed 'General case' 0 C--N 1.368 1.394 0 C-N-CA 128.123 2.569 . . . . 485.87 114.34 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 66.89 -127.73 0.19 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.401 2.28 . . . . 128.36 113.627 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -140.3 64.75 1.43 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.44 -1.689 . . . . 324.71 106.44 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -136.32 32.63 2.83 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.931 1.292 . . . . 295.51 107.826 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -142.5 -29.96 0.56 Allowed 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.1 1.76 . . . . 223.82 109.187 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.518 0 N-CA-C 102.469 -3.16 . . . . 123.21 102.469 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.497 ' SD ' HD11 ' A' ' 76' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 114.863 1.431 . . . . 107.41 114.863 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.584 ' CG ' HG23 ' A' ' 76' ' ' ILE . 3.5 t80 -50.79 -40.5 55.4 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.466 2.706 . . . . 254.42 113.61 177.001 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ASN . . . . . 0.447 ' HB2' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -50.71 -43.33 57.82 Favored 'General case' 0 CA--C 1.57 1.742 0 C-N-CA 129.342 3.057 . . . . 212.44 113.055 -172.567 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -78.98 -52.47 8.2 Favored 'General case' 0 C--N 1.373 1.598 1 C-N-CA 133.678 4.791 . . . . 205.99 116.493 169.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.47 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 77.1 t90 -57.4 -33.82 68.24 Favored 'General case' 0 C--N 1.365 1.244 1 C-N-CA 135.598 5.559 . . . . 104.03 114.581 -175.511 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 p -49.62 -30.57 5.37 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 130.936 3.694 . . . . 55.88 115.01 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.19 64.52 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.0 2.12 . . . . 50.11 114.097 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.91 -39.84 9.6 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 116.701 2.111 . . . . 125.51 116.701 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASN . . . . . 0.47 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 30.8 m120 -126.69 139.81 52.87 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 128.0 2.52 . . . . 70.45 113.552 -172.414 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 157.08 18.01 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.893 2.477 . . . . 60.0 116.61 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm -68.68 147.49 51.79 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 134.308 5.043 . . . . 147.71 113.392 172.004 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.07 -4.08 38.46 Favored Glycine 0 C--N 1.361 1.919 0 C-N-CA 126.047 1.784 . . . . 37.09 112.716 -164.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.69 155.48 17.6 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.103 2.961 . . . . 38.88 109.027 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 pt -116.99 134.89 59.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.978 1.711 . . . . 122.0 111.009 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.75 160.76 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.704 0 O-C-N 119.4 -2.063 . . . . 142.55 105.727 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -95.7 127.57 41.84 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.077 0.465 . . . . 78.3 109.788 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.49 167.52 18.89 Favored Glycine 0 CA--C 1.486 -1.724 0 N-CA-C 111.01 -0.836 . . . . 132.34 111.01 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.295 33.6 pttt -110.75 139.17 46.28 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 117.482 2.401 . . . . 178.17 117.482 -171.015 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.07 130.7 35.62 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 113.526 0.936 . . . . 110.83 113.526 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.437 HG21 ' HB2' ' A' ' 30' ' ' GLU . 77.9 p -130.53 -41.18 1.22 Allowed 'General case' 0 C--N 1.367 1.367 0 N-CA-C 118.552 2.797 . . . . 113.29 118.552 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.8 11.7 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 104.825 -2.287 . . . . 71.12 104.825 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -117.59 147.48 20.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 117.568 2.433 . . . . 135.68 117.568 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.255 5.3 m-20 -105.59 170.71 7.73 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 129.1 2.96 . . . . 141.25 106.094 172.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.0 92.77 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 118.922 -2.361 . . . . 271.48 114.756 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -104.18 0.64 29.75 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 131.501 3.92 . . . . 310.7 110.534 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 150.17 16.83 Favored Glycine 0 C--N 1.366 2.215 0 CA-C-O 124.042 1.912 . . . . 87.6 115.245 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . . . -142.51 131.5 23.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 100.269 -3.975 . . . . 79.41 100.269 164.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.38 128.89 52.31 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 107.05 -1.463 . . . . 62.25 107.05 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.84 133.1 47.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 105.589 -2.004 . . . . 93.73 105.589 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' HB2' HG21 ' A' ' 20' ' ' THR . 34.5 tt0 -94.27 130.27 40.61 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 123.472 1.606 . . . . 111.65 108.506 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.35 -32.81 6.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 112.41 -2.177 . . . . 122.61 107.594 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.268 . . 94.7 161.26 0.02 OUTLIER 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.156 2.982 . . . . 108.78 117.401 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 96.73 5.1 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 130.515 3.526 . . . . 249.36 108.858 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.77 -25.78 16.05 Favored Glycine 0 C--N 1.365 2.174 0 C-N-CA 124.977 1.275 . . . . 261.8 111.284 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -89.5 137.29 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 127.013 2.125 . . . . 162.68 113.322 -178.226 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 27.0 mt-10 -127.08 155.49 43.19 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.912 2.885 . . . . 124.5 111.074 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.626 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -117.73 -166.98 14.09 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 109.576 -1.409 . . . . 66.69 109.576 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -115.14 138.07 51.32 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 120.621 2.211 . . . . 130.64 116.119 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 27' ' ' ALA 0.442 0.4 OUTLIER -121.17 124.78 45.55 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 118.865 -2.397 . . . . 173.09 110.453 164.261 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -79.85 138.34 37.17 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 116.703 2.112 . . . . 234.38 116.703 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.63 -31.52 71.59 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.345 2.658 . . . . 67.0 114.051 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.0 m -71.81 -19.38 62.0 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.675 3.19 . . . . 92.06 114.479 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.43 -53.87 2.64 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.276 1.83 . . . . 241.64 110.615 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.546 ' HB1' HD21 ' A' ' 56' ' ' LEU . . . -92.66 67.96 4.64 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.648 -1.907 . . . . 115.06 113.655 -176.108 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 t -147.7 159.13 44.13 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.135 -1.431 . . . . 89.7 107.135 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -114.04 -9.06 13.01 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.637 1.575 . . . . 131.17 110.722 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -148.16 -162.71 1.61 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.721 2.008 . . . . 115.97 109.086 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -123.35 178.38 5.17 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.099 2.16 . . . . 295.16 107.724 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.269 29.0 t 80.41 -64.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.544 0 C-N-CA 128.245 2.618 . . . . 224.7 110.876 -177.342 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -106.08 129.96 54.08 Favored 'General case' 0 C--N 1.353 0.754 1 N-CA-C 98.308 -4.701 . . . . 111.84 98.308 169.118 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -114.65 -111.84 0.35 Allowed 'General case' 0 CA--C 1.479 -1.771 0 N-CA-C 101.447 -3.538 . . . . 210.5 101.447 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.325 . . -53.79 -12.69 0.57 Allowed 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.72 -2.037 . . . . 72.77 115.652 164.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -78.91 -26.18 43.74 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 119.571 -1.956 . . . . 87.74 113.198 169.225 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.3 tp -81.12 -41.91 21.74 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 116.429 2.011 . . . . 161.64 116.429 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.314 1.4 p -114.15 16.42 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.028 0 N-CA-C 115.519 1.674 . . . . 155.98 115.519 -172.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.546 HD21 ' HB1' ' A' ' 44' ' ' ALA . 3.9 mm? -131.76 133.04 44.33 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 114.129 -3.029 . . . . 155.03 104.987 166.094 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -99.43 139.39 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 111.238 -2.71 . . . . 156.32 108.386 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.09 124.1 30.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 126.987 2.115 . . . . 268.83 111.3 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 -3.05 55.05 Favored Glycine 0 C--N 1.361 1.936 0 O-C-N 121.211 -0.93 . . . . 172.39 112.794 -172.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -108.92 151.83 25.76 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 107.415 -1.328 . . . . 159.43 107.415 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -107.4 152.94 23.5 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 115.902 1.815 . . . . 194.78 115.902 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.58 158.69 27.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 C-N-CA 127.086 2.154 . . . . 166.4 106.183 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -94.92 130.19 41.64 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.769 2.028 . . . . 114.41 111.154 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.74 166.18 23.54 Favored 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 120.557 -1.34 . . . . 105.33 107.578 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -101.54 126.59 48.37 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 125.865 1.666 . . . . 93.58 110.086 -174.051 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -96.71 113.11 24.64 Favored 'General case' 0 C--N 1.372 1.544 0 N-CA-C 106.678 -1.601 . . . . 129.39 106.678 -175.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.7 m -153.93 56.78 0.73 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 124.007 1.861 . . . . 155.62 107.935 -172.13 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.23 149.36 4.97 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 119.749 -1.844 . . . . 52.87 113.472 171.723 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.328 0.1 OUTLIER -127.86 141.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 128.061 2.544 . . . . 127.12 109.615 176.127 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.35 127.99 42.86 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.44 1.896 . . . . 134.55 105.982 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -70.78 -22.79 62.34 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.503 2.038 . . . . 145.62 116.503 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.0 -40.39 65.24 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.221 2.208 . . . . 115.07 115.406 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 -12.85 15.32 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.819 -1.176 . . . . 103.56 110.504 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 62.78 39.86 10.48 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.812 2.445 . . . . 168.39 112.412 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -126.34 164.33 21.29 Favored 'General case' 0 N--CA 1.412 -2.345 0 C-N-CA 129.735 3.214 . . . . 71.7 108.162 -172.145 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 1.005 ' H ' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.17 139.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 1 C-N-CA 134.734 5.214 . . . . 171.51 114.795 -167.986 . . . . . . . . 4 4 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -113.14 115.83 28.89 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.542 -3.133 . . . . 75.12 102.542 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.63 HD12 ' HB ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -143.9 145.44 32.29 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 113.109 -1.859 . . . . 127.79 106.436 -173.179 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -107.13 145.03 32.99 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 125.185 1.394 . . . . 189.29 107.659 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.427 0.0 OUTLIER -49.84 -14.95 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 1 N-CA-C 123.805 4.743 . . . . 139.9 123.805 178.82 . . . . . . . . 4 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -81.29 -43.08 19.65 Favored 'General case' 0 N--CA 1.471 0.598 1 N-CA-C 122.021 4.082 . . . . 366.01 122.021 -155.281 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.293 . . 99.36 -0.68 0.03 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.269 2.628 . . . . 200.7 113.438 -171.218 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -166.18 138.81 3.95 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 120.962 -1.086 . . . . 433.73 109.595 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -164.82 172.45 12.92 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 106.356 -1.72 . . . . 485.87 106.356 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -144.62 149.64 36.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 104.878 -2.267 . . . . 128.36 104.878 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.36 117.02 22.74 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.34 1.456 . . . . 324.71 108.446 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.278 25.2 t70 120.67 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.016 2.926 . . . . 295.51 108.284 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -88.58 -34.41 17.35 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 123.24 1.495 . . . . 223.82 108.037 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.271 2.222 0 C-N-CA 130.292 3.437 . . . . 123.21 102.896 171.753 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HB2' ' H ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.91 -0.404 . . . . 107.41 109.91 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.544 ' CG ' HG23 ' A' ' 76' ' ' ILE 0.301 0.0 OUTLIER -59.39 -30.72 68.63 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.622 2.769 . . . . 254.42 113.645 177.772 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -49.51 -30.19 7.99 Favored 'General case' 0 CA--C 1.59 2.482 0 C-N-CA 126.02 1.728 . . . . 212.44 113.576 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -76.59 -50.81 12.91 Favored 'General case' 0 C--N 1.372 1.544 1 C-N-CA 132.878 4.471 . . . . 205.99 113.357 170.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.85 -33.81 69.05 Favored 'General case' 0 C--N 1.363 1.19 1 C-N-CA 133.956 4.903 . . . . 104.03 114.268 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.41 -31.46 8.69 Favored 'Isoleucine or valine' 0 C--N 1.371 1.541 0 C-N-CA 129.763 3.225 . . . . 55.88 116.012 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.38 -25.5 42.15 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.549 1.54 . . . . 50.11 113.47 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.02 -39.56 9.69 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.062 2.145 . . . . 125.51 115.914 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -113.52 148.34 36.24 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 115.033 1.494 . . . . 70.45 115.033 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -106.7 141.24 38.28 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 115.425 1.639 . . . . 60.0 115.425 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -73.09 144.59 46.96 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 128.262 2.625 . . . . 147.71 111.425 169.081 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.99 -3.92 41.46 Favored Glycine 0 C--N 1.367 2.255 0 CA-C-O 122.506 1.059 . . . . 37.09 112.817 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.93 168.69 9.95 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 129.249 3.02 . . . . 38.88 109.773 -172.287 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.16 136.28 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 125.965 1.706 . . . . 122.0 111.663 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.32 163.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 N-CA-C 105.757 -1.942 . . . . 142.55 105.757 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.8 m -115.08 130.87 57.04 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.689 -2.337 . . . . 78.3 104.689 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 31' ' ' LEU . . . -136.09 176.14 20.44 Favored Glycine 0 C--N 1.361 1.957 0 C-N-CA 120.145 -1.026 . . . . 132.34 115.042 174.799 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.259 18.9 ptmt -128.78 145.6 51.14 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 115.047 1.499 . . . . 178.17 115.047 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -78.09 123.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 C-N-CA 123.902 0.881 . . . . 110.83 112.124 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -129.35 -19.27 3.49 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 114.815 1.413 . . . . 113.29 114.815 -170.583 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.38 153.74 20.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 105.372 -2.085 . . . . 71.12 105.372 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.64 142.89 29.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 N-CA-C 114.16 1.17 . . . . 135.68 114.16 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.284 1.9 m-20 -106.64 169.22 8.66 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.289 2.236 . . . . 141.25 106.757 172.634 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.66 81.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.691 -1.881 . . . . 271.48 114.908 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -106.7 0.16 24.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.312 2.645 . . . . 310.7 110.202 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.97 163.07 21.71 Favored Glycine 0 CA--C 1.481 -2.092 0 CA-C-O 124.467 2.149 . . . . 87.6 116.582 -156.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.95 131.2 24.96 Favored 'General case' 0 N--CA 1.425 -1.689 1 N-CA-C 99.764 -4.161 . . . . 79.41 99.764 166.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -106.72 126.38 52.22 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.795 -2.298 . . . . 62.25 104.795 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -111.34 137.12 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.771 2.028 . . . . 93.73 107.978 -170.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.0 122.89 33.43 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.909 2.084 . . . . 111.65 106.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD23 ' HA3' ' A' ' 17' ' ' GLY . 11.2 mt -109.48 3.98 21.87 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 127.228 2.211 . . . . 122.61 113.878 -168.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.61 163.53 0.27 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.811 2.444 . . . . 108.78 117.535 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 72.32 7.97 5.74 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.81 2.044 . . . . 249.36 111.485 -171.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 13.8 51.68 Favored Glycine 0 C--N 1.365 2.189 0 C-N-CA 127.244 2.354 . . . . 261.8 113.551 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -95.06 145.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.138 0 C-N-CA 127.244 2.218 . . . . 162.68 113.815 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' H ' ' HB2' ' A' ' 1' ' ' MET . 45.6 mt-10 -127.84 154.92 44.9 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 128.536 2.734 . . . . 124.5 112.384 176.646 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.704 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -156.02 -151.61 5.97 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 119.488 -1.339 . . . . 66.69 110.808 167.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.34 137.97 44.41 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 118.316 2.709 . . . . 130.64 118.316 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.95 117.41 29.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 104.606 -2.368 . . . . 173.09 104.606 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -80.17 133.9 36.09 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 114.87 1.433 . . . . 234.38 114.87 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.69 -25.82 60.42 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 119.771 -1.831 . . . . 67.0 113.782 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 p -76.54 -31.26 57.5 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 130.296 3.438 . . . . 92.06 113.626 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -103.48 -37.31 7.64 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 124.502 1.121 . . . . 241.64 113.565 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.52 -26.25 50.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 116.083 1.883 . . . . 115.06 116.083 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.9 p -88.77 -161.79 0.79 Allowed 'General case' 0 C--N 1.36 1.045 0 N-CA-C 115.816 1.784 . . . . 89.7 115.816 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -113.65 -1.17 14.09 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.559 -1.338 . . . . 131.17 110.307 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 69.43 70.62 0.25 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 129.012 2.925 . . . . 115.97 113.667 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -139.2 -152.52 0.42 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.076 1.35 . . . . 295.16 109.205 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.1 -32.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.225 0 O-C-N 119.791 -1.818 . . . . 224.7 115.698 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.75 131.13 57.03 Favored 'General case' 0 N--CA 1.446 -0.627 1 N-CA-C 99.832 -4.136 . . . . 111.84 99.832 170.516 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.35 -113.12 0.21 Allowed 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 100.325 -3.954 . . . . 210.5 100.325 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.73 -14.26 0.12 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 117.691 2.478 . . . . 72.77 117.691 168.621 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -26.8 46.81 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 120.356 1.435 . . . . 87.74 113.568 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.15 -42.2 21.25 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 116.83 2.159 . . . . 161.64 116.83 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.9 15.94 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.813 0 N-CA-C 113.654 0.983 . . . . 155.98 113.654 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.21 133.35 42.62 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 113.548 -3.261 . . . . 155.03 106.361 167.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -111.15 159.96 17.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 110.218 -3.174 . . . . 156.32 109.739 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.27 75.6 t -74.79 121.41 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 128.39 2.676 . . . . 268.83 109.759 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.13 -2.56 56.61 Favored Glycine 0 C--N 1.36 1.902 0 O-C-N 121.509 -0.744 . . . . 172.39 112.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.54 138.31 33.38 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.747 1.619 . . . . 159.43 108.36 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -89.05 152.79 21.47 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 117.908 2.558 . . . . 194.78 117.908 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.13 162.52 24.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 N-CA-C 105.433 -2.062 . . . . 166.4 105.433 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -124.51 142.85 51.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.73 -1.232 . . . . 114.41 108.723 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.37 169.84 16.91 Favored 'General case' 0 CA--C 1.488 -1.438 0 C-N-CA 117.412 -1.715 . . . . 105.33 109.78 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -100.34 130.34 46.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.659 -1.978 . . . . 93.58 105.659 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.72 104.53 16.56 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.176 -1.787 . . . . 129.39 106.176 -172.159 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.3 2.5 t -113.1 -37.86 4.64 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 118.916 -1.114 . . . . 155.62 113.781 -166.491 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.05 179.76 39.45 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 120.234 -0.984 . . . . 52.87 114.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.2 OUTLIER -124.77 138.92 52.54 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 C-N-CA 126.903 2.081 . . . . 127.12 107.59 175.311 . . . . . . . . 4 4 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -100.98 127.37 47.51 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 104.524 -2.398 . . . . 134.55 104.524 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.04 -16.59 63.18 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.483 1.66 . . . . 145.62 115.483 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.41 -35.67 65.87 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 128.76 2.824 . . . . 115.07 112.861 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.296 76.4 m-20 -101.27 -14.95 17.45 Favored 'General case' 0 C--N 1.362 1.146 0 O-C-N 120.718 -1.239 . . . . 103.56 112.446 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 58.21 32.91 22.61 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.05 2.54 . . . . 168.39 111.921 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -134.07 166.62 22.32 Favored 'General case' 0 N--CA 1.42 -1.965 0 C-N-CA 130.577 3.551 . . . . 71.7 111.581 -167.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.544 HG23 ' CG ' ' A' ' 2' ' ' PHE . 8.2 pt -93.79 138.8 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 131.693 3.997 . . . . 171.51 114.936 -175.445 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -113.46 116.14 29.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.744 3.218 . . . . 75.12 103.568 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.704 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -136.43 133.94 37.18 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 102.734 -3.061 . . . . 127.79 102.734 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -107.94 144.3 35.4 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.431 1.492 . . . . 189.29 107.344 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.353 1.5 p -48.32 -14.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 1 N-CA-C 122.336 4.198 . . . . 139.9 122.336 -172.902 . . . . . . . . 3 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.35 -25.14 65.61 Favored 'General case' 0 C--N 1.316 -0.89 2 C-N-CA 134.649 5.18 . . . . 366.01 122.366 -151.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 69.65 -56.82 0.56 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.578 1.951 . . . . 200.7 115.396 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -159.44 67.73 0.41 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 107.647 -1.242 . . . . 433.73 107.647 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -166.43 161.96 16.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 103.798 -2.667 . . . . 485.87 103.798 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -146.39 -169.99 3.4 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.442 2.297 . . . . 128.36 105.208 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.47 158.32 43.38 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.224 -1.769 . . . . 324.71 106.224 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.255 16.9 t70 96.14 -20.67 0.05 Allowed 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.867 2.867 . . . . 295.51 110.932 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -139.54 85.39 2.04 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.295 2.238 . . . . 223.82 105.391 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.269 2.082 0 N-CA-C 102.946 -2.983 . . . . 123.21 102.946 179.794 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 1.3 ppp? . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 111.695 0.257 . . . . 107.41 111.695 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.259 0.0 OUTLIER -50.88 -31.05 16.21 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 130.301 3.441 . . . . 254.42 113.842 176.785 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.7 p-10 -49.05 -32.13 8.96 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 126.507 1.923 . . . . 212.44 114.942 -167.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -78.13 -33.28 50.57 Favored 'General case' 0 C--N 1.373 1.601 1 C-N-CA 137.162 6.185 . . . . 205.99 117.779 169.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -33.55 73.7 Favored 'General case' 0 C--N 1.353 0.731 1 C-N-CA 134.055 4.942 . . . . 104.03 115.342 -171.871 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.445 HG23 ' H ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -49.95 -32.07 7.8 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 C-N-CA 130.827 3.651 . . . . 55.88 115.019 -174.594 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.31 64.64 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 129.326 3.05 . . . . 50.11 113.682 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -95.94 -40.5 9.25 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.047 -1.033 . . . . 125.51 113.615 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -128.07 124.63 37.5 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.603 1.961 . . . . 70.45 110.232 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.32 156.64 18.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.631 1.973 . . . . 60.0 115.162 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -56.24 145.25 27.17 Favored 'General case' 0 C--N 1.361 1.089 1 C-N-CA 132.197 4.199 . . . . 147.71 115.746 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 -3.61 39.88 Favored Glycine 0 C--N 1.368 2.319 0 CA-C-O 122.844 1.247 . . . . 37.09 114.349 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.0 173.68 6.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 128.654 2.782 . . . . 38.88 111.142 -169.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.96 134.78 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 O-C-N 120.132 -1.605 . . . . 122.0 108.091 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.32 145.41 32.93 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 N-CA-C 104.064 -2.569 . . . . 142.55 104.064 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -99.63 129.49 45.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.927 0.891 . . . . 78.3 111.362 -173.459 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.31 28.21 Favored Glycine 0 C--N 1.361 1.948 0 C-N-CA 119.534 -1.317 . . . . 132.34 114.85 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 0.0 OUTLIER -123.9 150.87 44.18 Favored 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 115.729 1.751 . . . . 178.17 115.729 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.19 130.02 36.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.485 0 CA-C-N 114.683 -1.144 . . . . 110.83 113.521 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.577 ' HA ' HG23 ' A' ' 58' ' ' VAL . 5.1 t -139.23 -14.46 1.14 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 116.596 2.072 . . . . 113.29 116.596 -174.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.34 154.93 10.77 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 120.594 1.543 . . . . 71.12 106.847 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 m -117.21 142.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 120.762 -1.211 . . . . 135.68 113.224 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.295 1.9 m-20 -106.36 169.6 8.42 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.319 2.247 . . . . 141.25 105.242 171.046 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.7 82.53 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 118.728 -2.483 . . . . 271.48 115.87 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -106.75 0.22 24.01 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.206 3.002 . . . . 310.7 109.296 172.412 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.16 161.46 13.47 Favored Glycine 0 CA--C 1.478 -2.26 0 CA-C-O 124.389 2.105 . . . . 87.6 117.205 -162.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -135.49 131.58 36.28 Favored 'General case' 0 N--CA 1.422 -1.84 1 N-CA-C 98.573 -4.603 . . . . 79.41 98.573 167.11 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.99 121.63 43.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.872 -2.27 . . . . 62.25 104.872 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.71 139.51 27.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.023 -1.473 . . . . 93.73 107.023 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -94.59 126.63 40.0 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 107.624 -1.25 . . . . 111.65 107.624 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 78' ' ' LEU . 1.8 mt -106.28 -2.04 22.78 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.805 2.042 . . . . 122.61 113.194 -172.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 74.73 162.28 0.25 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 118.487 2.773 . . . . 108.78 118.487 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 70.0 8.21 6.58 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 126.567 1.947 . . . . 249.36 111.908 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 10.57 42.71 Favored Glycine 0 C--N 1.362 1.994 0 C-N-CA 126.237 1.875 . . . . 261.8 113.441 -172.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.49 141.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 CA-C-N 119.983 1.892 . . . . 162.68 112.581 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -127.82 155.2 44.48 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.992 2.517 . . . . 124.5 111.994 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.73 -153.67 6.73 Favored Glycine 0 C--N 1.368 2.352 0 C-N-CA 119.003 -1.57 . . . . 66.69 110.826 169.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.453 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.7 m-85 -106.6 140.08 40.03 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.423 2.379 . . . . 130.64 117.423 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' HG13 ' A' ' 80' ' ' VAL . 7.1 tt -122.6 120.09 32.75 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 103.901 -2.629 . . . . 173.09 103.901 166.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -80.72 135.23 35.97 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.846 -1.784 . . . . 234.38 115.694 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.39 -25.51 60.59 Favored 'General case' 0 C--N 1.371 1.535 0 N-CA-C 115.002 1.482 . . . . 67.0 115.002 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -74.14 -18.9 60.73 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.254 1.821 . . . . 92.06 113.635 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -109.41 -34.33 6.56 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.631 1.572 . . . . 241.64 112.689 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.56 ' HB1' HD21 ' A' ' 56' ' ' LEU . . . -99.91 -13.35 19.19 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 116.129 1.9 . . . . 115.06 116.129 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.266 22.1 p -97.06 143.79 27.56 Favored 'General case' 0 C--N 1.369 1.415 0 O-C-N 120.047 -1.658 . . . . 89.7 115.016 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -112.11 116.42 30.47 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 101.112 -3.662 . . . . 131.17 101.112 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -87.37 99.62 12.12 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 126.028 1.731 . . . . 115.97 113.546 -171.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -157.15 79.52 0.9 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.07 -1.455 . . . . 295.16 107.07 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.251 39.1 t 75.06 -52.78 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.64 0 C-N-CA 127.682 2.393 . . . . 224.7 112.05 -174.12 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -96.19 150.28 20.71 Favored 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 132.227 4.211 . . . . 111.84 104.203 172.759 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.17 -114.21 0.32 Allowed 'General case' 0 CA--C 1.475 -1.904 1 N-CA-C 96.258 -5.46 . . . . 210.5 96.258 179.167 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.367 . . -54.49 -13.12 0.84 Allowed 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 115.773 1.768 . . . . 72.77 115.773 169.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -24.98 62.23 Favored 'General case' 0 C--N 1.375 1.701 0 O-C-N 119.442 -2.036 . . . . 87.74 113.254 168.764 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.1 tp -80.52 -43.01 21.43 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 117.122 2.267 . . . . 161.64 117.122 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.307 7.8 p -128.23 16.28 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.922 0 O-C-N 121.326 -0.859 . . . . 155.98 112.807 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.56 HD21 ' HB1' ' A' ' 44' ' ' ALA . 3.2 mm? -132.36 133.76 44.36 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 102.358 -3.201 . . . . 155.03 102.358 162.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 p -108.88 138.7 44.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 111.464 -2.607 . . . . 156.32 106.868 168.079 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.577 HG23 ' HA ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -74.89 122.75 29.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.975 0 C-N-CA 127.088 2.155 . . . . 268.83 109.703 177.042 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -3.06 39.96 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.749 0.69 . . . . 172.39 111.774 -168.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.9 149.91 29.21 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 118.484 1.142 . . . . 159.43 109.154 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -92.94 154.79 17.97 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 118.926 2.936 . . . . 194.78 118.926 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 m -134.26 161.99 39.79 Favored 'Isoleucine or valine' 0 C--N 1.372 1.563 0 C-N-CA 126.982 2.113 . . . . 166.4 105.519 172.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.65 119.34 35.2 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 101.714 -3.439 . . . . 114.41 101.714 172.246 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.08 168.43 16.78 Favored 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 116.276 -2.169 . . . . 105.33 105.669 -166.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -99.36 130.32 45.63 Favored 'General case' 0 CA--C 1.487 -1.468 0 N-CA-C 106.849 -1.537 . . . . 93.58 106.849 -169.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.86 103.74 15.63 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 104.791 -2.3 . . . . 129.39 104.791 -171.619 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.2 p -98.72 -68.97 0.78 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 115.479 -0.782 . . . . 155.62 110.891 -168.033 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.93 174.39 37.54 Favored Glycine 0 CA--C 1.494 -1.264 0 CA-C-O 123.275 1.486 . . . . 52.87 115.16 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.486 HG11 ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -125.66 141.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 129.491 3.116 . . . . 127.12 106.817 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -100.94 127.92 47.2 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 103.394 -2.817 . . . . 134.55 103.394 167.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -49.86 -29.76 8.67 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 129.979 3.312 . . . . 145.62 118.0 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -71.86 -24.33 61.67 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.093 2.957 . . . . 115.07 114.606 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.284 64.8 m-80 -102.76 -14.58 16.58 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 120.523 -1.361 . . . . 103.56 111.315 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 48.58 31.08 2.74 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 132.309 4.244 . . . . 168.39 111.777 -165.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -134.94 161.87 34.03 Favored 'General case' 0 N--CA 1.419 -2.012 0 C-N-CA 125.764 1.626 . . . . 71.7 111.14 -170.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.44 HG23 ' CG ' ' A' ' 2' ' ' PHE . 13.8 pt -95.57 139.39 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 1 C-N-CA 135.444 5.497 . . . . 171.51 118.472 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -110.45 133.72 53.01 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 130.576 3.55 . . . . 75.12 106.454 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 31' ' ' LEU . 1.5 mt -128.09 145.97 50.84 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.09 -1.448 . . . . 127.79 107.09 175.054 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 p -106.98 126.97 53.02 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 105.367 -2.086 . . . . 189.29 105.367 167.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.54 HG13 ' HG ' ' A' ' 39' ' ' LEU . 1.5 t -47.89 -17.06 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 2 N-CA-C 126.602 5.778 . . . . 139.9 126.602 -162.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -80.47 -43.35 21.0 Favored 'General case' 0 C--N 1.328 -0.361 1 N-CA-C 122.545 4.276 . . . . 366.01 122.545 -154.135 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.253 . . 98.82 -16.95 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 128.138 2.575 . . . . 200.7 111.122 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -135.4 38.49 2.91 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.414 1.086 . . . . 433.73 113.018 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.303 15.1 t70 83.38 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.371 2.268 . . . . 485.87 116.306 172.733 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -135.28 -82.02 0.42 Allowed 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.619 1.967 . . . . 128.36 110.001 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.278 . . 84.14 9.45 0.48 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.915 2.486 . . . . 324.71 114.863 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -97.15 4.58 51.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.433 2.293 . . . . 295.51 110.507 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 161.15 -153.32 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.911 2 N-CA-C 96.12 -5.511 . . . . 223.82 96.12 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 C--O 1.261 1.691 0 N-CA-C 103.505 -2.776 . . . . 123.21 103.505 172.86 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ppp? . . . . . 0 N--CA 1.505 2.279 0 N-CA-C 113.175 0.806 . . . . 107.41 113.175 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.401 0.0 OUTLIER -60.54 -29.12 68.94 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 130.103 3.361 . . . . 254.42 113.136 175.385 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -31.59 7.75 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 128.669 2.788 . . . . 212.44 113.086 -170.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -77.94 -50.9 11.29 Favored 'General case' 0 C--N 1.375 1.7 1 C-N-CA 137.419 6.288 . . . . 205.99 116.566 168.091 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.64 45.24 Favored 'General case' 0 C--N 1.355 0.829 1 C-N-CA 136.259 5.824 . . . . 104.03 117.282 -177.356 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 6' ' ' VAL . 1.7 t -49.95 -30.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 C-N-CA 131.007 3.723 . . . . 55.88 113.767 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.45 77.14 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.2 2.6 . . . . 50.11 114.343 171.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.26 -39.26 9.74 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.645 2.378 . . . . 125.51 116.922 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -112.17 152.56 28.2 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.801 . . . . 70.45 115.325 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -106.84 135.7 47.93 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 117.091 2.256 . . . . 60.0 117.091 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -74.67 145.02 43.51 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.252 3.021 . . . . 147.71 112.927 167.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.05 -4.12 57.28 Favored Glycine 0 C--N 1.372 2.53 0 CA-C-O 122.889 1.272 . . . . 37.09 113.151 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.42 163.66 12.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 129.151 2.98 . . . . 38.88 108.809 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.57 135.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.927 1.691 . . . . 122.0 111.219 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.85 160.14 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.676 0 N-CA-C 105.527 -2.027 . . . . 142.55 105.527 -170.791 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 t -98.23 127.83 44.37 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.559 1.171 . . . . 78.3 108.583 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.4 166.34 24.19 Favored Glycine 0 CA--C 1.481 -2.088 0 N-CA-C 109.77 -1.332 . . . . 132.34 109.77 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.92 142.43 46.79 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 117.873 2.545 . . . . 178.17 117.873 -174.603 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 132.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-N 114.487 -1.233 . . . . 110.83 113.601 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.252 3.4 m -142.5 -45.08 0.32 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 118.958 -2.339 . . . . 113.29 116.615 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 149.17 28.23 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.094 -2.558 . . . . 71.12 104.094 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.269 16.0 m -117.71 147.24 21.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 115.179 1.548 . . . . 135.68 115.179 -176.416 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.66 168.85 8.83 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.268 2.227 . . . . 141.25 105.629 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.15 75.55 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 119.75 -1.844 . . . . 271.48 115.077 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.5 -0.09 24.26 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.4 3.08 . . . . 310.7 110.279 174.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.14 160.29 21.92 Favored Glycine 0 CA--C 1.479 -2.171 0 N-CA-C 118.699 2.24 . . . . 87.6 118.699 -156.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.71 25.43 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 101.875 -3.38 . . . . 79.41 101.875 165.073 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -100.72 125.0 47.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 103.283 -2.858 . . . . 62.25 103.283 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.02 142.32 21.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 125.339 1.456 . . . . 93.73 108.045 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -89.74 127.76 36.0 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.352 1.061 . . . . 111.65 110.006 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.64 0.39 20.63 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 128.095 2.558 . . . . 122.61 111.445 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 66.54 157.34 0.11 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 119.251 3.056 . . . . 108.78 119.251 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.28 12.58 4.82 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.628 1.971 . . . . 249.36 111.604 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.59 23.64 18.13 Favored Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.901 1.715 . . . . 261.8 113.201 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.6 t -104.13 137.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.683 1.593 . . . . 162.68 109.582 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.84 154.41 45.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 126.027 1.731 . . . . 124.5 108.982 174.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.45 -158.98 7.91 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.807 -0.917 . . . . 66.69 110.807 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.522 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.6 m-85 -106.4 139.13 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.884 2.073 . . . . 130.64 113.446 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 80' ' ' VAL 0.273 1.0 OUTLIER -133.85 133.57 41.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 102.56 -3.126 . . . . 173.09 102.56 175.405 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.526 ' H ' HG13 ' A' ' 80' ' ' VAL . 40.0 mtp180 -80.35 156.06 26.9 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.003 -2.311 . . . . 234.38 112.497 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -24.13 7.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 131.665 3.986 . . . . 67.0 118.633 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 p -73.95 -19.67 60.6 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 129.862 3.265 . . . . 92.06 113.311 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 72.02 -66.4 0.3 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 130.996 3.718 . . . . 241.64 115.213 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 169.72 173.14 0.05 Allowed 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 130.894 3.678 . . . . 115.06 103.02 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.9 p -170.86 -86.87 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 102.096 -3.298 . . . . 89.7 102.096 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -173.05 -63.79 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 129.247 3.019 . . . . 131.17 103.982 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -134.57 -68.37 0.54 Allowed 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.329 -0.857 . . . . 115.97 109.661 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -95.9 -143.53 0.27 Allowed 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.443 1.497 . . . . 295.16 113.434 -175.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 m -31.33 -101.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.374 1 C-N-CA 135.034 5.333 . . . . 224.7 118.997 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.5 127.29 54.42 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 119.717 -1.865 . . . . 111.84 106.258 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.491 7.2 m-20 -123.0 -113.1 0.31 Allowed 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 100.476 -3.898 . . . . 210.5 100.476 165.448 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.45 -12.74 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 118.725 2.861 . . . . 72.77 118.725 168.011 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 129.855 3.262 . . . . 87.74 114.856 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . 0.355 1.4 pp -81.19 -19.98 42.17 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.554 1.942 . . . . 161.64 114.394 172.175 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.486 4.8 p -113.5 18.88 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 C-N-CA 128.429 2.691 . . . . 155.98 114.563 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -130.26 130.48 44.63 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 101.712 -3.44 . . . . 155.03 101.712 169.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 t -112.62 163.71 14.2 Favored 'General case' 0 C--N 1.329 -0.311 1 C-N-CA 134.8 5.24 . . . . 156.32 112.969 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 p -57.04 123.32 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 127.258 2.223 . . . . 268.83 111.946 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.55 -3.01 86.51 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 120.711 -1.243 . . . . 172.39 115.68 -167.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -99.94 142.82 30.9 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 105.378 -2.082 . . . . 159.43 105.378 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -100.36 143.98 29.91 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.608 2.818 . . . . 194.78 118.608 -166.305 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 t -119.06 147.99 22.25 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 127.677 2.391 . . . . 166.4 107.749 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -95.12 119.46 33.67 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 106.545 -1.65 . . . . 114.41 106.545 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.16 160.62 34.25 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 104.697 -2.334 . . . . 105.33 104.697 -169.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -100.2 136.24 40.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 125.807 1.643 . . . . 93.58 109.454 -166.738 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.19 105.15 17.15 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 106.325 -1.731 . . . . 129.39 106.325 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.9 p -92.44 -46.1 7.82 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 114.171 -1.377 . . . . 155.62 113.859 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.17 176.04 47.58 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 110.431 -1.068 . . . . 52.87 110.431 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.269 0.4 OUTLIER -125.15 142.62 41.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 126.96 2.104 . . . . 127.12 107.893 -178.128 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.97 125.52 33.44 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.615 -1.995 . . . . 134.55 105.615 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -70.83 -29.93 66.21 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.941 2.2 . . . . 145.62 116.941 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -71.89 -40.57 68.79 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 127.049 2.14 . . . . 115.07 115.488 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -12.44 15.38 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.198 -0.939 . . . . 103.56 111.192 174.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.357 64.8 mtp85 67.08 54.39 0.75 Allowed 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.575 2.435 . . . . 168.39 117.575 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.95 162.83 30.61 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.338 1.855 . . . . 71.7 108.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pp -94.59 138.76 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 1 C-N-CA 132.897 4.479 . . . . 171.51 112.651 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.4 m -113.51 131.1 56.18 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.949 2.9 . . . . 75.12 105.582 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.522 ' H ' ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -122.73 146.52 47.42 Favored 'General case' 0 CA--C 1.486 -1.514 0 CA-C-O 123.482 1.611 . . . . 127.79 106.886 175.435 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.9 m -106.66 136.59 46.19 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 101.652 -3.462 . . . . 189.29 101.652 169.055 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.526 HG13 ' H ' ' A' ' 40' ' ' ARG . 5.4 m -49.29 -16.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 1 N-CA-C 125.83 5.493 . . . . 139.9 125.83 -174.503 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -68.75 -42.79 77.02 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 121.733 3.975 . . . . 366.01 121.733 -146.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 78.64 -58.75 0.43 Allowed 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.551 1.941 . . . . 200.7 110.789 -171.314 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 164.98 123.06 0.01 OUTLIER 'General case' 0 C--N 1.348 0.53 0 C-N-CA 130.516 3.527 . . . . 433.73 105.908 172.648 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -148.83 -178.06 6.14 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.416 -1.428 . . . . 485.87 110.892 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.53 0.1 57.14 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.842 2.057 . . . . 128.36 116.007 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.06 62.33 7.44 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 119.821 -1.799 . . . . 324.71 113.708 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -148.63 18.31 1.03 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.885 1.274 . . . . 295.51 111.249 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -158.52 54.9 0.44 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.706 -1.961 . . . . 223.82 105.706 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt . . . . . 0 C--O 1.266 1.94 0 N-CA-C 103.924 -2.621 . . . . 123.21 103.924 -176.553 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.532 ' HE3' ' HB3' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 112.393 0.516 . . . . 107.41 112.393 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.532 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 47.3 t80 -52.62 -38.33 59.98 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 131.221 3.808 . . . . 254.42 117.534 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.05 22.55 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 127.047 2.139 . . . . 212.44 114.077 -168.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -78.88 -52.48 8.24 Favored 'General case' 0 C--N 1.367 1.337 1 C-N-CA 135.927 5.691 . . . . 205.99 117.27 168.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.355 0.809 1 C-N-CA 134.876 5.27 . . . . 104.03 115.975 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.02 -31.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 130.591 3.556 . . . . 55.88 115.112 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.46 2.704 . . . . 50.11 114.409 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -96.28 -39.12 9.81 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.017 2.228 . . . . 125.51 117.017 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.31 140.98 37.62 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.508 1.923 . . . . 70.45 115.16 -170.355 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -105.65 154.66 20.13 Favored 'General case' 0 C--N 1.367 1.368 0 N-CA-C 115.854 1.798 . . . . 60.0 115.854 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -73.91 143.97 45.54 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 129.343 3.057 . . . . 147.71 111.518 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.47 -4.51 47.47 Favored Glycine 0 C--N 1.366 2.232 0 CA-C-O 123.906 1.837 . . . . 37.09 112.261 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.06 164.93 12.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 129.581 3.152 . . . . 38.88 107.777 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 pt -114.87 135.43 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.687 0 C-N-CA 124.811 1.244 . . . . 122.0 109.009 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 t -131.53 144.74 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.34 0 N-CA-C 102.27 -3.233 . . . . 142.55 102.27 -171.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -104.74 127.9 52.67 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 122.616 1.198 . . . . 78.3 108.56 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.94 164.58 28.21 Favored Glycine 0 CA--C 1.48 -2.131 0 CA-C-N 114.788 -1.096 . . . . 132.34 112.461 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -109.82 131.64 54.88 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 118.351 2.722 . . . . 178.17 118.351 -167.539 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 58' ' ' VAL . 9.9 p -65.97 128.84 29.6 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 115.648 1.721 . . . . 110.83 115.648 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.527 ' HA ' HG23 ' A' ' 58' ' ' VAL 0.258 0.2 OUTLIER -138.65 -42.81 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 1 N-CA-C 122.152 4.13 . . . . 113.29 122.152 -168.473 . . . . . . . . 5 4 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.02 154.56 29.79 Favored 'General case' 0 CA--C 1.499 -1.019 0 O-C-N 119.381 -2.074 . . . . 71.12 107.01 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.45 147.2 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 117.97 2.581 . . . . 135.68 117.97 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.276 24.5 m-20 -105.94 168.79 8.89 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.381 2.672 . . . . 141.25 105.511 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 116.913 2.19 . . . . 271.48 116.913 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -106.99 0.66 23.86 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 129.223 3.009 . . . . 310.7 110.678 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.93 162.87 17.82 Favored Glycine 0 CA--C 1.467 -2.937 0 N-CA-C 117.751 1.86 . . . . 87.6 117.751 -154.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.18 145.37 35.58 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 124.413 2.054 . . . . 79.41 105.471 168.401 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -110.41 130.43 55.56 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.573 -1.649 . . . . 62.25 109.02 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.37 132.97 47.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 C-N-CA 126.609 1.964 . . . . 93.73 106.505 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.11 121.24 27.17 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 122.936 1.35 . . . . 111.65 110.139 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.57 -10.24 11.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.441 -1.709 . . . . 122.61 110.024 -171.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.261 . . 85.49 165.79 0.09 Allowed 'General case' 0 C--N 1.364 1.213 0 C-N-CA 129.738 3.215 . . . . 108.78 119.185 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 82.03 8.05 0.93 Allowed 'General case' 0 C--N 1.364 1.228 0 C-N-CA 130.539 3.535 . . . . 249.36 110.806 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.67 -11.77 53.6 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.676 1.608 . . . . 261.8 113.736 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 1' ' ' MET . 5.9 t -100.31 143.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 125.103 1.361 . . . . 162.68 110.927 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.78 154.38 27.49 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.732 1.613 . . . . 124.5 112.097 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.64 -163.72 28.14 Favored Glycine 0 C--N 1.363 2.077 0 C-N-CA 125.176 1.369 . . . . 66.69 110.187 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.92 138.24 42.44 Favored 'General case' 0 C--N 1.364 1.238 0 O-C-N 120.099 -1.824 . . . . 130.64 114.352 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.19 132.23 41.32 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 102.507 -3.146 . . . . 173.09 102.507 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 66.4 mtp180 -82.0 156.05 24.86 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 127.687 2.395 . . . . 234.38 113.964 174.617 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.39 -25.44 9.84 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.853 3.261 . . . . 67.0 119.034 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 p -71.55 -32.41 68.1 Favored 'General case' 0 C--N 1.362 1.133 1 C-N-CA 132.923 4.489 . . . . 92.06 112.045 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . 0.258 45.8 mt-10 71.96 -70.34 0.16 Allowed 'General case' 0 C--N 1.356 0.879 1 C-N-CA 133.492 4.717 . . . . 241.64 115.746 174.312 . . . . . . . . 3 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.36 69.17 0.5 Allowed 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.184 -2.525 . . . . 115.06 104.184 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.1 p -96.9 -140.98 0.28 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.226 1.41 . . . . 89.7 109.559 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -178.9 -54.13 0.01 OUTLIER 'General case' 0 C--N 1.351 0.639 0 N-CA-C 105.515 -2.032 . . . . 131.17 105.515 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -90.08 51.73 2.11 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.43 2.292 . . . . 115.97 110.516 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 59.65 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.656 3.182 . . . . 295.16 117.439 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.286 13.0 p -81.62 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.021 0 C-N-CA 127.996 2.518 . . . . 224.7 114.841 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -116.96 128.93 55.68 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 121.428 1.922 . . . . 111.84 110.279 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -118.35 -114.36 0.33 Allowed 'General case' 0 C--N 1.375 1.686 1 N-CA-C 98.713 -4.551 . . . . 210.5 98.713 164.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -10.76 0.44 Allowed 'General case' 0 N--CA 1.439 -0.976 1 C-N-CA 134.161 4.985 . . . . 72.77 116.459 162.176 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -58.86 -25.8 63.63 Favored 'General case' 0 C--N 1.376 1.758 0 C-N-CA 130.121 3.368 . . . . 87.74 115.521 -165.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -76.76 -20.77 56.11 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.411 1.884 . . . . 161.64 111.944 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.441 2.8 p -116.62 18.21 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 C-N-CA 126.399 1.88 . . . . 155.98 114.6 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.28 132.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 126.559 3.076 . . . . 155.03 106.467 166.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -111.24 162.8 14.6 Favored 'General case' 0 C--N 1.325 -0.462 2 C-N-CA 134.946 5.299 . . . . 156.32 115.991 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.36 123.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 129.057 2.943 . . . . 268.83 115.092 171.015 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.29 -3.64 64.11 Favored Glycine 0 C--N 1.362 2.006 0 C-N-CA 125.5 1.524 . . . . 172.39 113.531 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.82 130.51 34.66 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.334 1.854 . . . . 159.43 107.568 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -105.18 149.84 25.58 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.785 1.772 . . . . 194.78 115.785 -174.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.91 158.81 36.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 127.248 2.219 . . . . 166.4 106.362 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -95.18 122.4 37.82 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.595 1.958 . . . . 114.41 106.563 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.22 169.66 15.09 Favored 'General case' 0 CA--C 1.477 -1.855 0 N-CA-C 102.346 -3.205 . . . . 105.33 102.346 -166.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -99.03 136.35 39.13 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 104.842 -2.281 . . . . 93.58 104.842 -170.729 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -96.49 103.72 15.65 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 102.002 -3.332 . . . . 129.39 102.002 -177.1 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.281 12.9 t -107.39 -55.77 2.3 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 112.829 0.677 . . . . 155.62 112.829 -164.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.9 165.12 29.24 Favored Glycine 0 C--N 1.351 1.368 0 N-CA-C 110.498 -1.041 . . . . 52.87 110.498 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.5 OUTLIER -124.41 142.29 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.904 0 C-N-CA 126.001 1.72 . . . . 127.12 107.536 178.774 . . . . . . . . 4 4 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -92.37 128.17 38.12 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.709 -1.589 . . . . 134.55 106.709 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.68 -20.59 62.68 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.641 1.576 . . . . 145.62 114.726 -178.967 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.46 -40.62 70.19 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 127.641 2.376 . . . . 115.07 115.493 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -12.94 15.25 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.349 -1.47 . . . . 103.56 109.919 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 63.32 46.41 4.47 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.109 2.564 . . . . 168.39 111.759 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.97 162.68 31.39 Favored 'General case' 0 N--CA 1.417 -2.121 0 C-N-CA 128.633 2.773 . . . . 71.7 109.19 -170.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.531 HG23 ' CG ' ' A' ' 2' ' ' PHE 0.266 8.9 pt -95.23 140.92 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 1 C-N-CA 134.106 4.963 . . . . 171.51 115.874 -173.016 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -111.66 130.77 55.66 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 103.333 -2.84 . . . . 75.12 103.333 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 145.1 50.88 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.449 -1.315 . . . . 127.79 107.449 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.1 t -106.62 123.24 47.82 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 103.907 -2.627 . . . . 189.29 103.907 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.411 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.379 11.7 m -49.23 -17.64 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 N-CA-C 127.552 6.13 . . . . 139.9 127.552 -167.081 . . . . . . . . 4 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -81.54 -42.31 20.36 Favored 'General case' 0 C--N 1.329 -0.322 1 C-N-CA 133.215 4.606 . . . . 366.01 118.914 -163.476 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 90.3 11.32 0.06 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.384 3.074 . . . . 200.7 114.746 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -139.08 160.95 38.57 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 126.754 2.022 . . . . 433.73 107.288 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.98 163.05 21.26 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 126.599 1.96 . . . . 485.87 113.298 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -122.65 -141.28 0.32 Allowed 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.764 -1.21 . . . . 128.36 108.685 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.66 16.74 1.99 Allowed 'General case' 0 C--N 1.361 1.092 0 O-C-N 120.004 -1.685 . . . . 324.71 111.773 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -146.78 15.09 1.21 Allowed 'General case' 0 C--N 1.348 0.512 0 N-CA-C 106.115 -1.809 . . . . 295.51 106.115 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 178.34 158.37 0.49 Allowed 'General case' 0 C--N 1.361 1.083 0 N-CA-C 102.736 -3.061 . . . . 223.82 102.736 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.263 1.768 0 CA-C-N 120.64 1.564 . . . . 123.21 107.975 -178.407 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.735 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.562 0 N-CA-C 106.794 -1.558 . . . . 107.41 106.794 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 37.5 t80 -49.75 -34.71 19.88 Favored 'General case' 0 CA--C 1.469 -2.171 1 C-N-CA 135.628 5.571 . . . . 254.42 115.52 -176.808 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -50.84 -49.93 57.84 Favored 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 124.479 1.112 . . . . 212.44 113.249 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -80.01 -52.74 7.46 Favored 'General case' 0 C--N 1.378 1.836 1 C-N-CA 131.997 4.119 . . . . 205.99 116.634 163.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.408 ' HB3' ' HA ' ' A' ' 2' ' ' PHE . 40.9 t90 -52.63 -32.05 39.85 Favored 'General case' 0 C--N 1.373 1.593 1 C-N-CA 133.269 4.628 . . . . 104.03 116.28 -174.616 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.89 -31.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 C-N-CA 130.786 3.634 . . . . 55.88 114.189 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.32 -30.62 64.94 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.19 1.796 . . . . 50.11 114.559 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 tp -96.42 -39.78 9.42 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 115.923 1.823 . . . . 125.51 115.923 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -102.41 145.32 29.7 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 120.669 -1.269 . . . . 70.45 114.312 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -106.89 154.6 20.8 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-O 123.674 1.702 . . . . 60.0 115.476 -173.555 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.78 125.5 28.26 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.035 -1.666 . . . . 147.71 109.499 165.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.65 -4.76 39.94 Favored Glycine 0 C--N 1.36 1.889 0 C-N-CA 123.916 0.769 . . . . 37.09 114.14 -162.614 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.5 161.37 16.26 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.81 1.644 . . . . 38.88 108.627 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.66 135.42 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 119.611 -1.931 . . . . 122.0 111.974 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.41 151.64 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.608 0 O-C-N 119.42 -2.05 . . . . 142.55 106.1 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 p -95.53 127.28 41.43 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.051 0.453 . . . . 78.3 110.049 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.07 151.18 17.07 Favored Glycine 0 CA--C 1.475 -2.466 0 N-CA-C 110.184 -1.166 . . . . 132.34 110.184 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.255 22.7 pttm -110.94 130.06 55.7 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 125.208 1.403 . . . . 178.17 114.161 -175.674 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.34 128.46 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 115.964 1.838 . . . . 110.83 115.964 -171.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.9 p -129.84 -54.1 1.14 Allowed 'General case' 0 C--N 1.369 1.438 0 N-CA-C 118.265 2.691 . . . . 113.29 118.265 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.72 134.01 36.69 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 104.556 -2.387 . . . . 71.12 104.556 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.23 141.03 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 115.863 1.801 . . . . 135.68 115.863 -169.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.262 1.4 m-20 -105.87 169.32 8.55 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.19 2.596 . . . . 141.25 104.806 170.117 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.09 70.88 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.348 -2.095 . . . . 271.48 116.555 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -107.45 -0.12 22.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.241 2.616 . . . . 310.7 110.491 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.94 145.03 17.81 Favored Glycine 0 CA--C 1.473 -2.538 0 C-N-CA 124.477 1.037 . . . . 87.6 114.218 -162.524 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.74 136.69 29.17 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.222 -2.14 . . . . 79.41 105.222 165.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 118.61 37.24 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 107.429 -1.323 . . . . 62.25 107.429 172.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.78 144.57 13.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.876 -1.157 . . . . 93.73 107.876 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -87.19 126.19 34.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.256 1.503 . . . . 111.65 111.248 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' HB3' ' CG ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -110.95 -31.28 7.2 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 128.935 2.894 . . . . 122.61 109.906 -175.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.263 . . 96.71 163.98 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.738 3.215 . . . . 108.78 116.286 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . 0.257 7.7 t70 84.46 10.7 0.38 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 131.123 3.769 . . . . 249.36 110.67 -173.721 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.69 -30.82 7.8 Favored Glycine 0 C--N 1.363 2.065 0 C-N-CA 125.676 1.608 . . . . 261.8 113.785 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -92.74 143.05 12.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 126.699 2.0 . . . . 162.68 111.514 -178.196 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.67 155.16 29.31 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 128.717 2.807 . . . . 124.5 110.317 -173.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' A' ' 76' ' ' ILE . . . -117.06 -161.67 12.32 Favored Glycine 0 C--N 1.368 2.34 0 CA-C-N 118.783 0.719 . . . . 66.69 111.366 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . 0.251 0.2 OUTLIER -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 119.141 3.015 . . . . 130.64 119.141 -172.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HA ' HG22 ' A' ' 80' ' ' VAL . 9.3 tt -130.03 114.63 16.03 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.245 -1.391 . . . . 173.09 107.245 171.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -81.48 135.53 35.62 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.717 1.607 . . . . 234.38 113.738 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.13 -25.91 63.7 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.801 1.64 . . . . 67.0 115.05 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -68.96 -18.77 64.12 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 128.788 2.835 . . . . 92.06 115.042 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.65 -38.18 5.24 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.345 1.858 . . . . 241.64 112.143 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 96.45 4.29 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.373 2.269 . . . . 115.06 113.253 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.5 ' HA ' ' H ' ' A' ' 52' ' ' ALA . 11.0 m 167.01 -155.87 0.0 OUTLIER 'General case' 0 C--N 1.36 1.058 1 N-CA-C 99.986 -4.079 . . . . 89.7 99.986 -177.753 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 tpt85 -154.77 55.8 0.67 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 105.757 -1.942 . . . . 131.17 105.757 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 83.23 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.131 2.573 . . . . 115.97 110.607 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.271 26.4 mmm180 69.35 -119.5 0.14 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.54 2.336 . . . . 295.16 114.068 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.9 t -114.56 -94.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 106.37 -1.715 . . . . 224.7 106.37 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -112.89 128.97 56.61 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 109.408 -0.59 . . . . 111.84 109.408 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.318 1.9 m-20 -118.51 -111.84 0.34 Allowed 'General case' 0 CA--C 1.482 -1.647 2 C-N-CA 134.042 4.937 . . . . 210.5 98.216 172.68 . . . . . . . . 3 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 56' ' ' LEU . . . -46.96 -13.57 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 119.165 3.024 . . . . 72.77 119.165 172.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -39.49 39.61 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.632 2.015 . . . . 87.74 110.737 168.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.65 -42.04 20.55 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.355 1.862 . . . . 161.64 115.165 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.514 0.9 OUTLIER -112.97 17.62 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.888 0 N-CA-C 116.444 2.016 . . . . 155.98 116.444 -173.013 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.63 HD13 ' HB2' ' A' ' 52' ' ' ALA . 2.5 mp -131.67 133.62 45.07 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 112.762 -3.575 . . . . 155.03 106.011 161.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.0 p -93.59 161.6 14.29 Favored 'General case' 0 N--CA 1.444 -0.725 1 C-N-CA 132.814 4.446 . . . . 156.32 118.287 -172.263 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.33 128.26 18.72 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 C-N-CA 132.242 4.217 . . . . 268.83 112.658 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.61 83.88 Favored Glycine 0 C--N 1.358 1.78 0 C-N-CA 128.05 2.738 . . . . 172.39 114.521 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -97.12 140.18 32.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.774 1.629 . . . . 159.43 107.667 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.9 150.06 28.25 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.804 2.149 . . . . 194.78 116.804 -173.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.56 156.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 127.001 2.12 . . . . 166.4 107.559 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.83 125.86 39.76 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.175 2.19 . . . . 114.41 112.701 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.9 171.03 14.06 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 105.827 -1.916 . . . . 105.33 105.827 -169.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -99.05 135.76 39.99 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.295 -1.743 . . . . 93.58 106.295 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.7 105.33 17.31 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 105.038 -2.208 . . . . 129.39 105.038 -176.737 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.3 t -150.04 15.97 0.84 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 116.788 2.144 . . . . 155.62 116.788 -167.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.24 136.28 4.08 Favored Glycine 0 C--N 1.351 1.364 0 N-CA-C 109.948 -1.261 . . . . 52.87 109.948 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.436 0.5 OUTLIER -128.33 143.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 119.902 -1.94 . . . . 127.12 112.388 -179.721 . . . . . . . . 4 4 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -95.13 126.66 40.61 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.944 -1.502 . . . . 134.55 106.944 170.398 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -70.54 -25.93 63.33 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.526 1.93 . . . . 145.62 114.637 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -81.36 -31.68 33.27 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.222 2.609 . . . . 115.07 113.27 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -99.55 -14.6 18.96 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.894 -1.129 . . . . 103.56 113.391 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 59.96 40.21 19.18 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.511 2.324 . . . . 168.39 112.919 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.31 33.12 Favored 'General case' 0 N--CA 1.419 -1.983 0 C-N-CA 128.825 2.85 . . . . 71.7 111.505 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.735 ' H ' ' HE1' ' A' ' 1' ' ' MET 0.422 1.5 pp -96.9 141.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 1 C-N-CA 137.425 6.29 . . . . 171.51 116.912 179.343 . . . . . . . . 4 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.1 m -110.62 136.59 49.48 Favored 'General case' 0 C--O 1.25 1.113 1 C-N-CA 132.659 4.384 . . . . 75.12 104.411 173.484 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 76' ' ' ILE . 5.1 mt -129.7 146.93 51.44 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 123.25 1.5 . . . . 127.79 109.436 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 p -106.52 122.21 45.84 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 105.145 -2.168 . . . . 189.29 105.145 169.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 39' ' ' LEU 0.428 0.0 OUTLIER -50.09 -17.57 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 2 N-CA-C 126.079 5.585 . . . . 139.9 126.079 -166.001 . . . . . . . . 5 4 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -82.41 -34.39 28.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 131.141 3.776 . . . . 366.01 119.795 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 104.77 -55.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.101 0 C-N-CA 130.092 3.357 . . . . 200.7 107.908 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -167.46 163.23 14.88 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 102.099 -3.297 . . . . 433.73 102.099 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.06 71.96 0.81 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.425 1.49 . . . . 485.87 108.315 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -119.61 43.37 2.65 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.449 1.5 . . . . 128.36 109.538 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.264 . . 78.65 55.52 0.03 OUTLIER 'General case' 0 C--N 1.356 0.858 0 C-N-CA 127.354 2.262 . . . . 324.71 113.661 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.04 -37.48 8.97 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.255 1.822 . . . . 295.51 109.874 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -144.05 37.72 1.29 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.005 1.722 . . . . 223.82 108.508 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.491 0 N-CA-C 103.324 -2.843 . . . . 123.21 103.324 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HE2' ' HA ' ' A' ' 75' ' ' ALA . 18.3 ptm . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 110.215 -0.291 . . . . 107.41 110.215 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.468 ' CE2' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -49.98 -28.88 7.5 Favored 'General case' 0 C--N 1.367 1.354 1 C-N-CA 131.919 4.087 . . . . 254.42 114.537 176.807 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -49.09 -34.24 13.43 Favored 'General case' 0 CA--C 1.59 2.483 0 C-N-CA 127.639 2.376 . . . . 212.44 112.355 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.24 -34.42 55.91 Favored 'General case' 0 C--N 1.371 1.539 1 C-N-CA 137.493 6.317 . . . . 205.99 116.554 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -33.69 65.71 Favored 'General case' 0 C--N 1.35 0.591 1 C-N-CA 133.945 4.898 . . . . 104.03 115.668 -171.616 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -50.61 -31.14 9.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 C-N-CA 130.977 3.711 . . . . 55.88 115.009 -176.154 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.98 64.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 129.141 2.976 . . . . 50.11 113.645 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -95.69 -39.69 9.76 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.966 1.307 . . . . 125.51 113.872 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.06 125.63 41.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 128.227 2.611 . . . . 70.45 110.407 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 142.85 27.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 130.42 3.488 . . . . 60.0 118.039 -175.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.91 143.94 47.53 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.879 3.272 . . . . 147.71 113.256 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.07 52.78 Favored Glycine 0 C--N 1.375 2.74 0 CA-C-O 123.079 1.377 . . . . 37.09 114.417 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.15 -173.41 2.31 Favored 'General case' 0 CA--C 1.497 -1.075 0 C-N-CA 129.845 3.258 . . . . 38.88 109.197 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -112.41 137.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 128.111 2.564 . . . . 122.0 111.855 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -135.3 145.36 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 103.117 -2.92 . . . . 142.55 103.117 -176.079 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 p -95.65 129.0 42.99 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.003 1.321 . . . . 78.3 109.105 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.25 167.36 29.02 Favored Glycine 0 C--N 1.368 2.323 0 C-N-CA 117.004 -2.522 . . . . 132.34 114.692 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.252 52.1 pttt -120.46 141.62 50.01 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 115.89 1.811 . . . . 178.17 115.89 -178.053 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.3 127.58 31.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.754 0 N-CA-C 114.119 1.155 . . . . 110.83 114.119 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.426 ' HA ' HG23 ' A' ' 58' ' ' VAL . 12.4 t -129.35 -7.49 4.74 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.026 -1.046 . . . . 113.29 113.424 -178.067 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.75 154.62 5.47 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.049 -2.204 . . . . 71.12 105.049 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -117.05 141.15 36.68 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-O 121.6 0.714 . . . . 135.68 109.403 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.274 2.6 m-20 -106.18 168.69 8.97 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.094 -1.817 . . . . 141.25 106.094 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -39.13 78.7 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 119.571 -1.956 . . . . 271.48 114.983 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -106.43 0.66 24.98 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 128.863 2.865 . . . . 310.7 110.849 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.38 169.52 19.2 Favored Glycine 0 C--N 1.365 2.143 0 N-CA-C 119.5 2.56 . . . . 87.6 119.5 -158.211 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.06 24.44 Favored 'General case' 0 N--CA 1.427 -1.618 1 N-CA-C 99.606 -4.22 . . . . 79.41 99.606 168.018 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.92 120.81 42.71 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.145 -2.168 . . . . 62.25 105.145 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.27 139.95 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 C-N-CA 124.919 1.287 . . . . 93.73 111.29 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.33 115.93 29.48 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.613 1.965 . . . . 111.65 107.971 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -27.61 18.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 127.806 2.442 . . . . 122.61 111.854 -174.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.304 . . 89.31 176.07 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.727 2.411 . . . . 108.78 113.511 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.9 t70 73.23 3.79 4.72 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.114 2.166 . . . . 249.36 111.905 -171.118 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.99 7.79 56.03 Favored Glycine 0 C--N 1.365 2.157 0 C-N-CA 126.996 2.236 . . . . 261.8 113.234 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.287 0.8 OUTLIER -101.97 138.32 26.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 O-C-N 119.84 -1.976 . . . . 162.68 113.494 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.83 154.59 45.28 Favored 'General case' 0 C--N 1.37 1.482 0 O-C-N 120.122 -1.611 . . . . 124.5 110.768 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -160.67 9.67 Favored Glycine 0 C--N 1.37 2.463 0 CA-C-N 119.712 1.142 . . . . 66.69 113.429 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -105.35 139.16 40.41 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 128.252 2.621 . . . . 130.64 113.493 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.62 132.63 44.2 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 104.25 -2.5 . . . . 173.09 104.25 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 -79.49 141.81 36.39 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.155 -2.216 . . . . 234.38 115.019 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.83 -23.88 5.36 Favored 'General case' 0 C--N 1.374 1.631 1 C-N-CA 133.337 4.655 . . . . 67.0 118.566 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -19.72 61.04 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.209 1.404 . . . . 92.06 112.101 171.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HB3' HD22 ' A' ' 56' ' ' LEU . 31.3 mt-10 34.61 56.29 0.7 Allowed 'General case' 0 C--N 1.376 1.749 1 C-N-CA 133.153 4.581 . . . . 241.64 118.157 174.547 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 79.19 -59.07 0.39 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.845 2.458 . . . . 115.06 110.606 -173.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.276 83.6 p 85.43 172.02 0.06 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 129.585 3.154 . . . . 89.7 114.661 176.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -145.08 141.35 28.76 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 102.908 -2.997 . . . . 131.17 102.908 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -83.9 62.98 7.3 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.873 1.669 . . . . 115.97 115.438 -173.127 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.11 -162.72 1.36 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 121.106 -0.996 . . . . 295.16 108.871 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.4 p -80.71 -23.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 C-N-CA 126.667 1.987 . . . . 224.7 112.606 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.64 130.25 56.63 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 101.383 -3.562 . . . . 111.84 101.383 169.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -107.17 -113.74 0.28 Allowed 'General case' 0 C--N 1.362 1.145 1 N-CA-C 98.663 -4.569 . . . . 210.5 98.663 177.79 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.81 -13.67 0.77 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 128.768 2.827 . . . . 72.77 116.476 166.426 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.63 -37.45 50.05 Favored 'General case' 0 C--N 1.371 1.515 0 O-C-N 119.697 -1.877 . . . . 87.74 114.288 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -83.22 -41.27 18.6 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 114.676 1.361 . . . . 161.64 114.676 168.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.48 1.3 p -112.63 17.11 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.577 0 N-CA-C 118.151 2.648 . . . . 155.98 118.151 -171.007 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 43' ' ' GLU . 2.8 mp -133.17 133.82 43.3 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 112.495 -3.682 . . . . 155.03 107.941 159.72 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 m -111.5 160.62 16.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 109.996 -3.274 . . . . 156.32 111.64 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -75.44 122.55 29.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 127.694 2.397 . . . . 268.83 106.689 162.72 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -3.28 40.83 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 120.977 -1.077 . . . . 172.39 112.219 -168.322 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.73 143.99 34.04 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.076 1.75 . . . . 159.43 106.618 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -112.35 153.93 26.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 117.68 2.474 . . . . 194.78 117.68 -173.091 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.8 t -140.24 152.87 21.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 103.76 -2.681 . . . . 166.4 103.76 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -95.62 132.06 41.17 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 107.856 -1.164 . . . . 114.41 107.856 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.93 169.31 15.96 Favored 'General case' 0 CA--C 1.475 -1.907 0 O-C-N 119.75 -1.844 . . . . 105.33 106.028 -168.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -99.04 140.66 32.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.424 -2.065 . . . . 93.58 105.424 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CE1' HG21 ' A' ' 76' ' ' ILE 0.283 0.5 OUTLIER -95.87 102.53 14.33 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.474 -3.158 . . . . 129.39 102.474 -176.318 . . . . . . . . 4 4 . 1 . 009 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.8 p -91.48 -62.15 1.5 Allowed 'General case' 0 C--N 1.384 2.072 0 N-CA-C 116.561 2.06 . . . . 155.62 116.561 -163.391 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.88 148.32 17.55 Favored Glycine 0 CA--C 1.491 -1.446 0 N-CA-C 106.028 -2.829 . . . . 52.87 106.028 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.605 HG12 HG22 ' A' ' 76' ' ' ILE . 0.7 OUTLIER -122.14 142.16 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.387 -1.338 . . . . 127.12 107.387 -179.709 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -97.37 128.59 44.32 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 121.229 -0.919 . . . . 134.55 111.111 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.08 -20.19 62.38 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.942 2.097 . . . . 145.62 116.034 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.26 -40.64 23.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.63 1.972 . . . . 115.07 114.594 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -12.49 15.42 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 121.275 -0.89 . . . . 103.56 110.077 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 62.73 49.28 3.83 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.973 2.909 . . . . 168.39 114.942 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -134.51 163.02 30.66 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 126.958 2.103 . . . . 71.7 112.029 -176.35 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 HG12 ' A' ' 69' ' ' VAL . 1.3 pp -95.41 137.45 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 1 C-N-CA 132.608 4.363 . . . . 171.51 113.046 177.838 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -113.99 123.1 48.9 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 129.61 3.164 . . . . 75.12 104.358 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -113.67 144.71 42.47 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.665 -1.605 . . . . 127.79 106.665 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -107.58 145.43 33.24 Favored 'General case' 0 C--O 1.205 -1.266 0 N-CA-C 103.343 -2.836 . . . . 189.29 103.343 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.289 11.1 m -49.12 -15.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 1 N-CA-C 125.589 5.403 . . . . 139.9 125.589 -177.44 . . . . . . . . 3 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -58.97 -21.75 59.1 Favored 'General case' 0 C--N 1.327 -0.389 2 C-N-CA 132.142 4.177 . . . . 366.01 121.958 -146.074 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.54 -31.5 0.19 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.813 2.445 . . . . 200.7 115.546 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.5 mttp 170.09 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.348 0.517 0 C-N-CA 131.451 3.9 . . . . 433.73 101.588 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.4 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.347 0.458 0 N-CA-C 102.645 -3.095 . . . . 485.87 102.645 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.66 -172.47 4.07 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 101.995 -3.335 . . . . 128.36 101.995 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.51 155.08 45.0 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 105.683 -1.969 . . . . 324.71 105.683 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.327 60.3 m-20 105.89 -15.86 0.01 OUTLIER 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.732 2.813 . . . . 295.51 111.319 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -102.84 -0.24 31.61 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.89 1.676 . . . . 223.82 109.012 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt . . . . . 0 C--O 1.261 1.695 1 C-N-CA 132.219 4.208 . . . . 123.21 101.16 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 3.9 ptm . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.222 0.823 . . . . 107.41 113.222 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.679 ' CG ' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -66.85 -30.86 71.14 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.209 1.404 . . . . 254.42 111.999 178.243 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -32.62 11.32 Favored 'General case' 0 CA--C 1.592 2.587 0 C-N-CA 128.158 2.583 . . . . 212.44 113.494 -160.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -77.71 -50.32 12.65 Favored 'General case' 0 C--N 1.369 1.45 1 C-N-CA 138.223 6.609 . . . . 205.99 116.456 172.139 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.595 ' CD1' HG21 ' A' ' 35' ' ' VAL 0.263 0.2 OUTLIER -52.83 -31.87 41.34 Favored 'General case' 0 C--N 1.353 0.742 1 C-N-CA 135.007 5.323 . . . . 104.03 118.959 -177.158 . . . . . . . . 5 4 . 1 . 010 nuclear build full ' A' A ' 6' ' ' VAL . . . . . 0.479 HG22 ' CE2' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -49.02 -30.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 C-N-CA 130.987 3.715 . . . . 55.88 114.237 -176.138 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.3 72.48 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 129.748 3.219 . . . . 50.11 115.45 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 tp -96.0 -40.55 9.2 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 119.589 3.181 . . . . 125.51 119.589 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -127.61 158.04 38.59 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 119.724 -1.86 . . . . 70.45 112.534 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.26 147.55 26.92 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.36 1.464 . . . . 60.0 113.49 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -73.36 126.03 29.22 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 119.661 -1.899 . . . . 147.71 110.667 169.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -4.77 41.27 Favored Glycine 0 C--N 1.364 2.092 0 C-N-CA 125.021 1.295 . . . . 37.09 113.223 -164.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.29 164.99 12.07 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 125.608 1.563 . . . . 38.88 108.58 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.25 0.1 OUTLIER -116.75 136.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 127.264 2.225 . . . . 122.0 112.707 -174.809 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.0 165.76 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.3 0 N-CA-C 104.802 -2.296 . . . . 142.55 104.802 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.8 p -111.55 128.1 55.92 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 120.775 -1.203 . . . . 78.3 108.052 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.83 164.36 17.07 Favored Glycine 0 CA--C 1.483 -1.942 0 C-N-CA 121.114 -0.565 . . . . 132.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.34 135.89 53.53 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.866 2.066 . . . . 178.17 115.248 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 56' ' ' LEU . 8.5 p -66.81 131.45 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 117.031 2.234 . . . . 110.83 117.031 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -127.4 -44.64 1.54 Allowed 'General case' 0 C--N 1.368 1.395 0 N-CA-C 118.174 2.657 . . . . 113.29 118.174 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.27 7.81 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.827 -2.286 . . . . 71.12 104.827 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.19 146.98 20.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 116.868 2.173 . . . . 135.68 116.868 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.06 169.91 8.22 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 128.009 2.524 . . . . 141.25 106.401 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.56 45.61 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.996 2.221 . . . . 271.48 116.996 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 0.19 23.02 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 128.097 2.559 . . . . 310.7 111.102 169.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.91 151.78 16.88 Favored Glycine 0 C--N 1.368 2.346 0 C-N-CA 126.621 2.058 . . . . 87.6 114.329 -165.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -142.46 137.61 30.43 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 101.173 -3.639 . . . . 79.41 101.173 167.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.23 55.5 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.845 -1.909 . . . . 62.25 105.845 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.99 137.73 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 106.403 -1.702 . . . . 93.73 106.403 -172.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -92.64 124.76 36.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.301 1.84 . . . . 111.65 107.7 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 78' ' ' LEU . 1.4 mm? -103.38 -2.35 27.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 128.812 2.845 . . . . 122.61 115.004 -167.913 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.266 . . 75.2 140.58 0.07 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 118.917 2.932 . . . . 108.78 118.917 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 90.67 9.54 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 129.582 3.153 . . . . 249.36 108.347 -172.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.92 35.21 6.47 Favored Glycine 0 C--N 1.365 2.19 0 C-N-CA 126.248 1.88 . . . . 261.8 110.996 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.595 HG21 ' CD1' ' A' ' 5' ' ' TRP . 21.2 t -110.63 145.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 C-N-CA 128.183 2.593 . . . . 162.68 112.208 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' H ' ' HB2' ' A' ' 1' ' ' MET . 46.6 mt-10 -127.65 154.95 44.66 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 126.977 2.111 . . . . 124.5 112.236 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.85 -152.35 6.19 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.18 -1.568 . . . . 66.69 109.18 165.073 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -111.11 138.73 47.17 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 119.165 3.024 . . . . 130.64 119.165 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 8.1 tt -114.38 110.02 19.24 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 106.337 -1.727 . . . . 173.09 106.337 168.74 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -81.33 135.13 35.67 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 124.967 1.307 . . . . 234.38 112.568 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.41 76.94 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 124.875 1.27 . . . . 67.0 113.2 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -63.0 -19.79 64.68 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 128.169 2.588 . . . . 92.06 116.416 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -104.95 -48.97 3.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.953 1.301 . . . . 241.64 113.662 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.69 14.33 3.16 Favored 'General case' 0 C--N 1.363 1.16 0 CA-C-N 120.013 1.279 . . . . 115.06 114.197 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -157.56 77.03 0.83 Allowed 'General case' 0 C--N 1.365 1.264 0 O-C-N 118.471 -2.643 . . . . 89.7 114.647 -174.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -146.99 106.77 3.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.752 -1.944 . . . . 131.17 105.752 173.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.88 -35.59 8.55 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 123.575 0.75 . . . . 115.97 109.937 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -158.72 -125.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.767 0 N-CA-C 104.687 -2.338 . . . . 295.16 104.687 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.16 1.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 127.444 2.298 . . . . 224.7 110.822 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -115.17 131.67 56.85 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 130.411 3.484 . . . . 111.84 104.667 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.47 -114.17 0.29 Allowed 'General case' 0 C--N 1.363 1.16 1 N-CA-C 98.989 -4.449 . . . . 210.5 98.989 178.857 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -13.13 2.19 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 129.838 3.255 . . . . 72.77 115.326 168.225 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.6 p -76.97 -36.75 56.26 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 119.247 -2.158 . . . . 87.74 114.161 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.43 -41.09 20.31 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 115.77 1.767 . . . . 161.64 115.77 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.363 3.3 p -119.67 16.64 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.028 0 N-CA-C 116.955 2.206 . . . . 155.98 116.955 -171.259 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' A' ' 19' ' ' VAL . 2.0 mp -133.94 134.33 42.46 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 112.173 -3.811 . . . . 155.03 108.35 162.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -98.54 138.64 35.46 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 110.768 -2.924 . . . . 156.32 106.715 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.568 ' HA ' HG13 ' A' ' 19' ' ' VAL . 60.3 t -60.51 125.66 17.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.36 2.264 . . . . 268.83 114.873 -175.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.19 -3.62 64.34 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 124.778 1.18 . . . . 172.39 113.868 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.43 129.68 34.77 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 126.302 1.841 . . . . 159.43 108.451 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -95.72 153.55 17.68 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 119.527 3.158 . . . . 194.78 119.527 -168.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.7 162.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.155 2.182 . . . . 166.4 107.153 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -94.86 132.77 39.31 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.244 1.818 . . . . 114.41 109.121 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.77 168.93 18.14 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.872 -1.899 . . . . 105.33 105.872 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -101.34 131.25 47.5 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.932 1.693 . . . . 93.58 107.075 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.63 104.93 16.96 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.576 -3.12 . . . . 129.39 102.576 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.1 m -108.92 -50.45 3.01 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 114.42 1.267 . . . . 155.62 114.42 -160.618 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.86 173.96 41.49 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.369 -0.832 . . . . 52.87 112.305 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.443 HG11 ' CE2' ' A' ' 2' ' ' PHE 0.351 0.3 OUTLIER -126.19 141.89 44.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.199 0 C-N-CA 127.224 2.209 . . . . 127.12 110.33 179.42 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -95.04 128.15 41.65 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.154 -1.054 . . . . 134.55 108.154 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.4 mtt-85 -70.27 -21.85 62.92 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 128.455 2.702 . . . . 145.62 116.573 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.02 -35.66 31.62 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.882 2.073 . . . . 115.07 112.969 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.15 -14.42 15.39 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 121.532 -0.73 . . . . 103.56 112.969 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 54.22 42.1 31.67 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.877 3.271 . . . . 168.39 114.677 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -135.03 165.65 24.86 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 130.005 3.322 . . . . 71.7 109.442 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.679 HG23 ' CG ' ' A' ' 2' ' ' PHE 0.253 16.8 pt -93.9 139.36 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.81 1 C-N-CA 132.039 4.136 . . . . 171.51 114.353 -176.822 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -110.9 115.81 30.15 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 131.465 3.906 . . . . 75.12 100.991 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD22 HD11 ' A' ' 31' ' ' LEU . 3.2 pp -138.39 140.78 39.52 Favored 'General case' 0 CA--C 1.458 -2.563 0 N-CA-C 101.839 -3.393 . . . . 127.79 101.839 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.31 144.55 32.84 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 105.999 -1.852 . . . . 189.29 105.999 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.439 0.0 OUTLIER -51.13 -15.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 1 N-CA-C 123.507 4.632 . . . . 139.9 123.507 178.021 . . . . . . . . 4 3 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.13 -42.38 21.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 131.166 3.786 . . . . 366.01 119.437 -157.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 70.68 -45.47 0.6 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.795 2.438 . . . . 200.7 115.95 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -130.24 -147.44 0.33 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.372 2.269 . . . . 433.73 108.299 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.74 -155.21 0.58 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.121 1.768 . . . . 485.87 108.183 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -155.41 -176.71 6.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 104.895 -2.261 . . . . 128.36 104.895 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.7 131.18 53.95 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.098 0.951 . . . . 324.71 109.393 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -174.46 -46.54 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 N-CA-C 104.518 -2.401 . . . . 295.51 104.518 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -135.53 74.71 1.52 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 106.957 -1.497 . . . . 223.82 106.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm . . . . . 0 C--O 1.257 1.491 0 N-CA-C 104.106 -2.553 . . . . 123.21 104.106 -179.52 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.582 ' HG2' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 108.87 -0.789 . . . . 107.41 108.87 . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 2' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 76' ' ' ILE . 35.4 t80 -50.96 -39.91 56.26 Favored 'General case' 0 C--N 1.366 1.31 1 C-N-CA 132.785 4.434 . . . . 254.42 112.381 173.788 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -50.49 -43.61 55.67 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.646 1.578 . . . . 212.44 114.394 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -79.23 -52.76 7.71 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.385 3.474 . . . . 205.99 115.73 164.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 2' ' ' PHE 0.262 60.4 t90 -54.77 -32.93 60.71 Favored 'General case' 0 C--N 1.373 1.6 1 C-N-CA 133.818 4.847 . . . . 104.03 116.228 -176.065 . . . . . . . . 4 3 . 1 . 011 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.21 -30.85 7.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 C-N-CA 131.49 3.916 . . . . 55.88 114.836 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.99 71.69 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 125.954 1.702 . . . . 50.11 113.565 172.245 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.8 tp -95.64 -40.29 9.48 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 114.24 1.2 . . . . 125.51 114.24 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.23 126.37 42.62 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 125.516 1.526 . . . . 70.45 114.879 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.37 158.19 17.06 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 131.426 3.89 . . . . 60.0 112.178 175.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.13 145.3 7.91 Favored 'General case' 0 C--N 1.366 1.287 1 C-N-CA 132.263 4.225 . . . . 147.71 117.601 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.71 40.32 Favored Glycine 0 C--N 1.371 2.496 0 C-N-CA 125.979 1.752 . . . . 37.09 112.295 -167.255 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.3 164.86 13.71 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 127.959 2.504 . . . . 38.88 109.086 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.312 2.9 pt -116.6 137.74 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 C-N-CA 126.691 1.996 . . . . 122.0 112.983 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.85 149.89 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.478 0 N-CA-C 104.485 -2.413 . . . . 142.55 104.485 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.2 m -107.17 128.2 54.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 102.631 -3.1 . . . . 78.3 102.631 167.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.14 168.08 30.72 Favored Glycine 0 CA--C 1.479 -2.174 0 C-N-CA 116.621 -2.704 . . . . 132.34 114.409 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -110.06 137.73 47.42 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 117.881 2.548 . . . . 178.17 117.881 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG13 ' HB1' ' A' ' 27' ' ' ALA . 21.8 t -68.5 129.05 32.85 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 114.003 -1.453 . . . . 110.83 114.388 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.433 ' HA ' HG23 ' A' ' 58' ' ' VAL . 24.8 p -133.15 -7.93 3.01 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.105 1.762 . . . . 113.29 112.472 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 28' ' ' THR . . . -160.66 154.62 22.77 Favored 'General case' 0 C--N 1.364 1.215 0 N-CA-C 104.14 -2.541 . . . . 71.12 104.14 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.61 142.33 32.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.413 1.085 . . . . 135.68 113.906 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.55 166.9 10.22 Favored 'General case' 0 C--N 1.37 1.489 0 N-CA-C 104.621 -2.363 . . . . 141.25 104.621 171.746 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.98 82.14 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.127 -2.233 . . . . 271.48 114.731 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -106.13 1.61 26.39 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.148 2.979 . . . . 310.7 111.644 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.35 170.93 20.19 Favored Glycine 0 C--N 1.371 2.478 0 C-N-CA 126.009 1.766 . . . . 87.6 117.37 -158.381 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.33 . . -141.81 137.05 31.23 Favored 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 102.445 -3.169 . . . . 79.41 102.445 168.441 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.438 ' HB ' ' HB3' ' A' ' 21' ' ' ALA . 27.3 m -99.89 118.14 35.69 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.307 2.243 . . . . 62.25 104.988 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.31 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 C-N-CA 125.536 1.534 . . . . 93.73 110.567 -168.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 10.6 tp10 -94.85 123.47 38.33 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 122.959 1.361 . . . . 111.65 110.199 173.461 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 HD11 ' A' ' 76' ' ' ILE . 1.9 mt -117.23 -19.83 9.47 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 128.279 2.632 . . . . 122.61 109.381 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 81.44 167.2 0.14 Allowed 'General case' 0 C--N 1.371 1.522 0 N-CA-C 118.9 2.926 . . . . 108.78 118.9 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t70 84.53 20.83 0.13 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 130.033 3.333 . . . . 249.36 109.04 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.41 6.47 Favored Glycine 0 C--N 1.371 2.516 0 C-N-CA 125.942 1.734 . . . . 261.8 114.209 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG23 ' HG2' ' A' ' 1' ' ' MET . 0.2 OUTLIER -89.42 137.17 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 128.195 2.598 . . . . 162.68 113.919 -175.394 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 24.7 mt-10 -127.2 154.64 44.57 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.135 2.574 . . . . 124.5 111.667 -173.133 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.79 -161.17 10.69 Favored Glycine 0 N--CA 1.486 1.978 0 CA-C-O 118.526 -1.152 . . . . 66.69 115.723 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 18.7 m-85 -106.81 115.42 30.16 Favored 'General case' 0 C--N 1.379 1.854 0 C-N-CA 126.069 1.748 . . . . 130.64 114.896 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.627 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.9 tm? -138.64 107.64 6.01 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 106.708 -1.59 . . . . 173.09 106.708 170.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HD2' ' H ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -82.73 134.45 35.13 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.418 2.687 . . . . 234.38 105.638 160.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.45 20.48 Favored 'General case' 0 N--CA 1.476 0.828 1 N-CA-C 121.846 4.017 . . . . 67.0 121.846 -171.32 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -81.01 -42.39 21.2 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 116.994 2.22 . . . . 92.06 116.994 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 5.8 pt-20 -171.54 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.758 0 N-CA-C 105.639 -1.986 . . . . 241.64 105.639 -176.122 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.623 ' H ' ' HG3' ' A' ' 43' ' ' GLU . . . -115.77 -125.72 0.29 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 105.218 -2.141 . . . . 115.06 105.218 171.615 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 t 176.77 -148.29 0.01 OUTLIER 'General case' 0 C--N 1.359 1.021 1 N-CA-C 99.626 -4.213 . . . . 89.7 99.626 176.417 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -58.33 72.65 0.01 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.762 3.225 . . . . 131.17 116.416 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -110.13 35.06 3.55 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 128.355 2.662 . . . . 115.97 110.65 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.32 87.0 mtm180 102.01 11.67 0.01 OUTLIER 'General case' 0 C--N 1.365 1.241 0 C-N-CA 130.468 3.507 . . . . 295.16 113.014 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.27 155.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 100.889 -3.745 . . . . 224.7 100.889 176.333 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -80.96 129.57 34.6 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 108.793 -0.818 . . . . 111.84 108.793 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -120.21 -113.87 0.33 Allowed 'General case' 0 CA--C 1.484 -1.568 1 N-CA-C 98.919 -4.475 . . . . 210.5 98.919 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.285 . . -48.46 -10.56 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 119.953 3.316 . . . . 72.77 119.953 169.828 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -62.26 -34.76 77.17 Favored 'General case' 0 C--N 1.367 1.35 0 CA-C-N 124.818 3.463 . . . . 87.74 118.361 -170.406 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 tp -82.11 -35.19 28.81 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 122.667 1.222 . . . . 161.64 114.026 167.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.499 9.9 p -97.33 18.96 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.117 1 C-N-CA 132.842 4.457 . . . . 155.98 116.118 -173.492 . . . . . . . . 3 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.54 132.17 43.95 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 100.747 -3.797 . . . . 155.03 100.747 157.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -112.35 151.78 29.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 C-N-CA 127.041 2.136 . . . . 156.32 106.353 173.291 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -75.65 122.35 29.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 126.566 1.946 . . . . 268.83 107.176 168.46 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.44 -2.89 42.95 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 121.164 -0.96 . . . . 172.39 112.64 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -102.68 141.5 35.39 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 105.899 -1.889 . . . . 159.43 105.899 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -119.0 133.08 56.05 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.343 1.457 . . . . 194.78 112.96 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 63' ' ' GLU 0.251 5.0 t -140.54 164.83 21.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.209 0 C-N-CA 129.532 3.133 . . . . 166.4 108.2 -174.727 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.512 ' H ' HG12 ' A' ' 62' ' ' VAL . 29.4 tt0 -94.3 130.63 40.51 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 128.821 2.849 . . . . 114.41 117.745 -175.499 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . 0.588 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . -135.9 170.37 16.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.578 -1.326 . . . . 105.33 108.287 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -99.93 133.26 44.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 127.569 2.348 . . . . 93.58 108.864 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.81 108.99 21.01 Favored 'General case' 0 C--N 1.366 1.312 0 N-CA-C 105.478 -2.045 . . . . 129.39 105.478 -173.606 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 t -148.59 5.29 0.7 Allowed 'General case' 0 C--N 1.38 1.914 0 N-CA-C 116.981 2.215 . . . . 155.62 116.981 -161.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 135.68 3.78 Favored Glycine 0 C--N 1.349 1.292 0 N-CA-C 109.496 -1.442 . . . . 52.87 109.496 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.341 1.2 m -127.67 142.6 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 120.031 -1.864 . . . . 127.12 109.727 178.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -95.06 126.93 40.73 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.537 -0.912 . . . . 134.55 108.537 175.297 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -70.56 -17.36 62.92 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.485 1.914 . . . . 145.62 115.834 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -81.35 -34.4 31.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.043 2.537 . . . . 115.07 113.154 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.22 -14.89 15.0 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 120.553 -1.342 . . . . 103.56 112.808 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 56.58 42.65 26.87 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 129.374 3.07 . . . . 168.39 112.615 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HA ' ' CE ' ' A' ' 1' ' ' MET . . . -133.56 162.74 31.1 Favored 'General case' 0 N--CA 1.417 -2.077 0 C-N-CA 128.773 2.829 . . . . 71.7 108.878 -173.265 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.573 HG23 ' CD2' ' A' ' 2' ' ' PHE 0.317 0.5 OUTLIER -95.54 141.25 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 1 C-N-CA 134.8 5.24 . . . . 171.51 117.227 -172.834 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.9 m -113.16 129.55 56.48 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 131.364 3.866 . . . . 75.12 102.695 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -124.76 145.11 49.9 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.33 -1.359 . . . . 127.79 107.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 m -107.12 145.01 33.0 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 104.232 -2.507 . . . . 189.29 104.232 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 80' ' ' VAL . 8.7 p -47.96 -16.21 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.427 2 N-CA-C 123.269 4.544 . . . . 139.9 123.269 -172.211 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -62.41 -42.28 99.32 Favored 'General case' 0 C--N 1.319 -0.734 2 C-N-CA 133.175 4.59 . . . . 366.01 122.88 -148.186 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 72.93 -52.67 0.71 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.202 2.201 . . . . 200.7 113.852 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -123.62 -160.94 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.833 2.053 . . . . 433.73 108.947 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.9 t70 77.08 78.81 0.08 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.573 1.949 . . . . 485.87 113.424 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -133.12 141.52 48.21 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.345 -1.724 . . . . 128.36 106.345 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.289 . . 76.98 -41.34 0.39 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.626 2.371 . . . . 324.71 116.878 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -85.88 28.38 0.8 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.018 1.727 . . . . 295.51 112.994 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -153.78 45.95 0.62 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 105.606 -1.998 . . . . 223.82 105.606 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt . . . . . 0 C--O 1.257 1.463 0 C-N-CA 128.569 2.748 . . . . 123.21 103.622 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.591 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 7.8 ttp . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 108.946 -0.761 . . . . 107.41 108.946 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.458 0.0 OUTLIER -65.99 -29.41 69.78 Favored 'General case' 0 C--N 1.384 2.079 0 C-N-CA 125.346 1.458 . . . . 254.42 109.861 167.34 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -33.21 14.75 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 129.042 2.937 . . . . 212.44 112.396 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -78.41 -53.04 7.69 Favored 'General case' 0 C--N 1.378 1.813 1 C-N-CA 132.484 4.314 . . . . 205.99 115.417 166.813 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -33.53 63.86 Favored 'General case' 0 C--N 1.362 1.137 1 C-N-CA 135.028 5.331 . . . . 104.03 116.274 -178.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -49.85 -30.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 1 C-N-CA 131.848 4.059 . . . . 55.88 114.823 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.27 -21.2 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.011 2.524 . . . . 50.11 114.925 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.0 mt -95.48 -39.75 9.82 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 117.076 2.25 . . . . 125.51 117.076 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -127.78 155.9 43.32 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.086 2.154 . . . . 70.45 115.001 -171.409 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -106.17 145.9 30.93 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.508 1.523 . . . . 60.0 113.214 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -72.45 145.73 47.39 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 131.646 3.978 . . . . 147.71 114.747 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.28 -3.85 40.61 Favored Glycine 0 C--N 1.374 2.689 0 C-N-CA 124.833 1.206 . . . . 37.09 113.184 -168.141 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.97 133.12 42.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 130.048 3.339 . . . . 38.88 105.792 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mm -89.72 133.92 30.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 125.573 1.549 . . . . 122.0 109.427 -172.679 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.01 149.79 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.404 0 N-CA-C 102.593 -3.114 . . . . 142.55 102.593 -168.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.32 9.0 t -110.05 129.89 55.62 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 123.175 1.464 . . . . 78.3 111.609 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.5 170.54 18.3 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 114.043 -1.435 . . . . 132.34 112.343 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 22.0 pttm -110.7 144.32 39.82 Favored 'General case' 0 CA--C 1.479 -1.779 0 N-CA-C 114.573 1.323 . . . . 178.17 114.573 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 56' ' ' LEU 0.274 21.5 t -84.68 124.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 124.445 1.098 . . . . 110.83 110.946 -177.718 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 20' ' ' THR . . . . . 0.521 ' HA ' HG23 ' A' ' 58' ' ' VAL . 64.6 p -119.0 -35.48 3.63 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 116.987 2.217 . . . . 113.29 116.987 -166.516 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.17 148.86 4.95 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 103.289 -2.856 . . . . 71.12 103.289 -173.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.4 m -117.36 146.78 21.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 114.964 1.468 . . . . 135.68 114.964 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 169.21 8.61 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.908 2.083 . . . . 141.25 107.318 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.05 65.47 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.048 2.139 . . . . 271.48 115.8 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -106.7 0.05 23.98 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 128.282 2.633 . . . . 310.7 110.887 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.72 162.87 16.34 Favored Glycine 0 CA--C 1.476 -2.355 0 CA-C-O 124.349 2.083 . . . . 87.6 117.766 -154.699 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -141.34 131.96 25.54 Favored 'General case' 0 N--CA 1.424 -1.736 1 N-CA-C 98.385 -4.672 . . . . 79.41 98.385 170.091 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.72 129.07 54.67 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 104.082 -2.562 . . . . 62.25 104.082 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -114.23 144.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 C-N-CA 125.591 1.556 . . . . 93.73 108.473 -171.137 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 82.7 tt0 -103.92 118.03 35.72 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.471 1.509 . . . . 111.65 108.373 173.724 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.29 -20.58 28.18 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 128.626 2.77 . . . . 122.61 112.0 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 80.03 165.54 0.18 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.659 1.984 . . . . 108.78 115.364 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 73.92 7.0 4.89 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.961 2.104 . . . . 249.36 111.322 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.66 20.32 Favored Glycine 0 C--N 1.366 2.202 0 C-N-CA 126.943 2.211 . . . . 261.8 114.181 -174.55 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -103.34 134.08 45.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.663 1.585 . . . . 162.68 113.149 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 34.3 mt-10 -127.71 154.3 45.5 Favored 'General case' 0 C--N 1.372 1.558 0 O-C-N 119.762 -1.836 . . . . 124.5 111.075 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -160.83 -154.26 7.32 Favored Glycine 0 C--N 1.367 2.29 0 N-CA-C 108.158 -1.977 . . . . 66.69 108.158 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.66 139.06 41.7 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 118.958 2.948 . . . . 130.64 118.958 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.572 HD21 HG13 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -124.89 127.31 46.91 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 120.02 -1.675 . . . . 173.09 108.88 172.783 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' H ' ' CG2' ' A' ' 80' ' ' VAL . 3.7 mpt_? -80.43 135.03 36.07 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.545 -1.972 . . . . 234.38 112.712 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.12 -30.92 65.54 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.989 2.115 . . . . 67.0 113.874 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p -78.79 -37.51 40.69 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 130.447 3.499 . . . . 92.06 115.296 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.68 -23.34 34.22 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 115.421 1.637 . . . . 241.64 115.421 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 80' ' ' VAL . . . -111.52 78.94 1.16 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.213 1.405 . . . . 115.06 108.92 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.0 p -142.35 -97.12 0.12 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.193 -0.942 . . . . 89.7 113.04 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.265 16.9 ttt-85 89.04 39.53 0.01 OUTLIER 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.065 3.746 . . . . 131.17 113.052 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . 0.251 0.5 OUTLIER -148.07 -115.65 0.07 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.895 1.278 . . . . 115.97 111.597 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -156.78 -103.58 0.03 OUTLIER 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.12 -1.613 . . . . 295.16 114.594 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 t -52.73 -39.96 32.91 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 1 C-N-CA 132.403 4.281 . . . . 224.7 117.171 -173.254 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -111.07 130.77 55.5 Favored 'General case' 0 C--N 1.349 0.574 1 N-CA-C 96.145 -5.502 . . . . 111.84 96.145 169.211 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 -113.74 0.24 Allowed 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 100.974 -3.713 . . . . 210.5 100.974 -177.384 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -13.05 0.2 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 116.833 2.16 . . . . 72.77 116.833 164.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -26.07 56.65 Favored 'General case' 0 C--N 1.381 1.945 0 O-C-N 119.777 -1.827 . . . . 87.74 112.717 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.67 -42.32 22.25 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 116.643 2.09 . . . . 161.64 116.643 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.323 31.9 m -115.26 16.39 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.06 0 N-CA-C 115.797 1.777 . . . . 155.98 115.797 -177.333 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.527 HD22 HG21 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -131.81 132.79 44.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 113.368 -3.333 . . . . 155.03 108.537 168.272 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -104.28 160.48 14.85 Favored 'General case' 0 CA--C 1.506 -0.735 1 CA-C-N 107.838 -4.256 . . . . 156.32 109.35 174.797 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 20' ' ' THR . 4.3 p -74.61 121.66 26.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 120.737 -1.227 . . . . 268.83 108.828 169.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.64 40.3 Favored Glycine 0 C--N 1.361 1.966 0 O-C-N 121.408 -0.808 . . . . 172.39 113.132 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -95.74 133.28 40.03 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.359 1.464 . . . . 159.43 108.671 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -96.25 148.96 22.19 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.512 2.041 . . . . 194.78 116.512 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.37 158.39 28.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.058 -1.46 . . . . 166.4 107.058 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -105.06 127.95 53.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.142 1.777 . . . . 114.41 108.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.84 168.15 20.28 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 119.81 -1.806 . . . . 105.33 108.418 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HG2' HG23 ' A' ' 67' ' ' THR . 31.8 ttpt -100.92 117.43 34.97 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 107.461 -1.311 . . . . 93.58 107.461 -174.234 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.19 104.8 16.85 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 104.902 -2.258 . . . . 129.39 104.902 -170.524 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -129.17 -45.45 1.24 Allowed 'General case' 0 C--N 1.381 1.956 0 N-CA-C 117.375 2.361 . . . . 155.62 117.375 -161.36 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.44 162.99 24.09 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 119.48 1.036 . . . . 52.87 112.657 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.259 0.2 OUTLIER -127.45 141.8 45.36 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 C-N-CA 127.559 2.344 . . . . 127.12 106.644 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.19 126.94 35.69 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.327 -2.101 . . . . 134.55 105.327 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -70.04 -16.65 63.18 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.265 1.826 . . . . 145.62 115.859 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.214 2.206 . . . . 115.07 112.782 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.25 -14.63 15.3 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 121.257 -0.902 . . . . 103.56 112.326 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 54.45 42.44 31.37 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.566 3.547 . . . . 168.39 114.215 -173.312 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 1' ' ' MET . . . -133.51 163.87 28.43 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.385 2.274 . . . . 71.7 105.568 -173.138 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.591 ' H ' ' HE1' ' A' ' 1' ' ' MET . 1.3 pp -93.16 138.45 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 C-N-CA 131.878 4.071 . . . . 171.51 114.755 -169.377 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -113.51 116.84 30.2 Favored 'General case' 0 N--CA 1.434 -1.243 1 C-N-CA 133.483 4.713 . . . . 75.12 103.424 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.411 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -144.53 134.06 23.36 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 103.562 -2.755 . . . . 127.79 103.562 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 m -107.62 145.21 33.59 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 106.869 -1.53 . . . . 189.29 106.869 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.572 HG13 HD21 ' A' ' 39' ' ' LEU 0.388 0.2 OUTLIER -48.91 -14.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 1 N-CA-C 123.42 4.6 . . . . 139.9 123.42 -176.987 . . . . . . . . 5 4 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 85' ' ' GLU . 4.2 tpt180 -80.75 -23.47 39.37 Favored 'General case' 0 C--N 1.323 -0.58 1 N-CA-C 123.001 4.445 . . . . 366.01 123.001 -150.657 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 71.08 -55.33 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 117.83 2.53 . . . . 200.7 117.83 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -152.34 103.27 2.83 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.5 -1.375 . . . . 433.73 110.295 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 62.14 -102.11 0.11 Allowed 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.751 2.82 . . . . 485.87 115.627 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 20.7 pt-20 -158.82 125.65 4.74 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.904 -1.147 . . . . 128.36 107.904 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -179.0 164.78 1.48 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.554 1.541 . . . . 324.71 107.751 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.313 59.7 m-20 105.31 -23.42 0.01 OUTLIER 'General case' 0 C--N 1.373 1.616 0 C-N-CA 129.266 3.026 . . . . 295.51 111.25 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -96.31 -1.45 47.87 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.072 2.549 . . . . 223.82 109.108 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--O 1.26 1.619 1 C-N-CA 131.793 4.037 . . . . 123.21 102.334 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 30.9 t80 . . . . . 0 N--CA 1.437 -1.082 0 N-CA-C 115.622 1.712 . . . . 254.42 115.622 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.13 -40.17 60.96 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.929 2.492 . . . . 212.44 114.026 -171.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.29 -42.58 36.41 Favored 'General case' 0 C--N 1.365 1.282 1 C-N-CA 135.09 5.356 . . . . 205.99 114.249 173.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -33.7 76.36 Favored 'General case' 0 N--CA 1.44 -0.947 1 C-N-CA 134.599 5.16 . . . . 104.03 116.866 -172.27 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.481 HG22 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -49.05 -31.27 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 128.804 2.842 . . . . 55.88 114.402 -176.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.82 66.42 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.431 3.092 . . . . 50.11 114.709 174.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.78 -39.35 9.48 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 117.532 2.419 . . . . 125.51 117.532 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.24 127.78 46.18 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.067 2.947 . . . . 70.45 113.331 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -106.63 156.73 18.3 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.929 2.492 . . . . 60.0 115.926 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -64.73 146.61 54.52 Favored 'General case' 0 C--N 1.363 1.159 1 C-N-CA 132.703 4.401 . . . . 147.71 115.068 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.99 -4.23 38.73 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 123.312 1.506 . . . . 37.09 114.465 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.26 171.68 8.77 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 130.923 3.689 . . . . 38.88 108.188 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER -116.71 135.28 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 120.268 -1.52 . . . . 122.0 111.859 -177.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.9 t -135.9 145.57 30.94 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 N-CA-C 103.694 -2.706 . . . . 142.55 103.694 -170.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -97.36 127.82 43.65 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.408 0.683 . . . . 78.3 110.298 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.84 160.62 21.15 Favored Glycine 0 CA--C 1.477 -2.342 0 N-CA-C 110.891 -0.884 . . . . 132.34 110.891 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.272 16.3 pttp -110.9 130.89 55.45 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 117.164 2.283 . . . . 178.17 117.164 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.43 137.1 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.179 0.992 . . . . 110.83 111.827 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 30' ' ' GLU . 6.6 t -160.42 -30.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 119.199 -2.188 . . . . 113.29 116.663 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.0 154.16 35.46 Favored 'General case' 0 C--N 1.367 1.326 0 CA-C-N 119.879 1.218 . . . . 71.12 108.323 -171.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.08 146.0 22.09 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 117.695 2.48 . . . . 135.68 117.695 -174.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.308 2.1 m-20 -105.67 169.47 8.45 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 129.025 2.93 . . . . 141.25 105.011 172.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.21 89.63 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 118.853 -2.405 . . . . 271.48 115.255 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -106.97 0.89 24.05 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.646 3.178 . . . . 310.7 111.172 173.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.66 169.57 20.77 Favored Glycine 0 CA--C 1.475 -2.437 0 CA-C-O 123.925 1.847 . . . . 87.6 117.443 -156.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.69 131.52 37.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.817 -3.031 . . . . 79.41 102.817 167.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.8 114.87 29.35 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.805 -3.035 . . . . 62.25 102.805 174.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.263 7.9 p -102.72 133.23 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 C-N-CA 126.935 2.094 . . . . 93.73 106.483 -167.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' HG21 ' A' ' 20' ' ' THR 0.28 15.0 tp10 -83.65 122.55 28.76 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 123.5 1.619 . . . . 111.65 112.672 -173.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.328 1.1 tm? -123.04 2.88 9.34 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 112.154 -2.294 . . . . 122.61 111.818 -164.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.275 . . 78.16 155.14 0.15 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 120.856 3.65 . . . . 108.78 120.856 169.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 73.11 23.83 2.6 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.787 2.835 . . . . 249.36 109.542 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.19 -38.6 3.21 Favored Glycine 0 C--N 1.36 1.879 0 C-N-CA 126.001 1.763 . . . . 261.8 114.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.03 146.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 116.875 2.176 . . . . 162.68 116.875 -171.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -106.9 154.66 20.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 128.967 2.907 . . . . 124.5 113.635 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -139.7 8.79 Favored Glycine 0 C--N 1.362 1.991 0 N-CA-C 109.651 -1.379 . . . . 66.69 109.651 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -128.52 138.13 52.11 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.377 -2.249 . . . . 130.64 112.103 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.36 131.21 39.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 120.135 -1.603 . . . . 173.09 107.114 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.458 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 49.4 mtp180 . . . . . 0 C--N 1.356 0.876 0 C-N-CA 128.701 2.8 . . . . 234.38 112.834 179.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t . . . . . 0 CA--C 1.505 -0.779 0 CA-C-O 123.675 1.702 . . . . 156.32 112.476 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.1 122.5 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 C-N-CA 126.313 1.845 . . . . 268.83 109.958 166.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.9 -3.93 62.81 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 129.111 3.243 . . . . 172.39 114.093 -169.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.7 149.18 29.35 Favored 'General case' 0 C--N 1.368 1.395 0 O-C-N 120.335 -1.685 . . . . 159.43 107.349 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.65 152.25 24.56 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 119.159 3.022 . . . . 194.78 119.159 -170.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.62 160.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 126.768 2.027 . . . . 166.4 107.521 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -95.25 128.88 42.44 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.267 1.827 . . . . 114.41 111.875 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.61 170.3 14.94 Favored 'General case' 0 CA--C 1.478 -1.804 0 N-CA-C 103.06 -2.941 . . . . 105.33 103.06 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -98.48 141.02 31.86 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 104.906 -2.257 . . . . 93.58 104.906 -170.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.0 102.32 14.09 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 103.735 -2.691 . . . . 129.39 103.735 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -66.64 0.88 Allowed 'General case' 0 C--N 1.372 1.58 0 CA-C-N 113.879 -1.509 . . . . 155.62 114.359 -165.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.5 165.98 38.18 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 125.963 1.744 . . . . 52.87 110.279 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -122.09 142.4 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 C-N-CA 127.644 2.378 . . . . 127.12 108.297 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -94.42 127.88 40.61 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 106.441 -1.689 . . . . 134.55 106.441 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -67.23 -32.15 72.99 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.759 2.423 . . . . 145.62 115.835 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.92 -29.39 44.17 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.584 2.354 . . . . 115.07 113.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -102.68 -13.78 16.95 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 121.529 -0.732 . . . . 103.56 111.809 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 54.99 33.08 19.44 Favored 'General case' 0 C--N 1.37 1.477 1 C-N-CA 131.84 4.056 . . . . 168.39 116.79 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.06 164.49 27.2 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 129.83 3.252 . . . . 71.7 109.547 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.42 HG23 ' CG ' ' A' ' 2' ' ' PHE . 1.2 pp -94.47 140.54 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 1 C-N-CA 135.247 5.419 . . . . 171.51 114.259 -174.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -109.03 123.81 49.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.378 3.071 . . . . 75.12 105.725 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.86 133.54 53.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.63 1.972 . . . . 127.79 108.445 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 t -105.89 123.27 47.7 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.007 -2.59 . . . . 189.29 104.007 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.376 4.4 m -49.19 -16.94 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 1 N-CA-C 126.835 5.865 . . . . 139.9 126.835 -165.284 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -81.49 -42.35 20.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 121.231 3.789 . . . . 366.01 121.231 -154.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.25 . . 115.78 -73.34 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 129.551 3.141 . . . . 200.7 108.747 -170.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt . . . . . 0 C--N 1.358 0.96 0 O-C-N 120.187 -1.571 . . . . 433.73 114.739 -176.115 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.509 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.271 0.0 OUTLIER . . . . . 0 N--CA 1.441 -0.901 0 N-CA-C 112.895 0.702 . . . . 254.42 112.895 . . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -48.66 -34.28 11.53 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 128.222 2.609 . . . . 212.44 113.485 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.66 -33.16 53.52 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 138.648 6.779 . . . . 205.99 117.903 171.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -73.25 -33.2 65.16 Favored 'General case' 0 C--N 1.355 0.841 1 C-N-CA 133.685 4.794 . . . . 104.03 114.981 -172.316 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.455 HG22 ' CZ ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER -49.78 -30.9 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 131.513 3.925 . . . . 55.88 114.69 -177.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.08 -34.94 49.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.122 2.569 . . . . 50.11 113.451 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.23 -38.47 10.54 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 126.987 2.115 . . . . 125.51 115.414 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.66 127.7 47.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.551 2.34 . . . . 70.45 111.71 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HE3' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -104.13 156.16 18.11 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.361 2.264 . . . . 60.0 114.016 178.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -72.36 145.83 47.49 Favored 'General case' 0 C--N 1.364 1.202 1 C-N-CA 132.053 4.141 . . . . 147.71 114.842 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.25 -4.13 40.82 Favored Glycine 0 C--N 1.367 2.272 0 C-N-CA 125.865 1.698 . . . . 37.09 112.749 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.28 168.66 10.76 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 129.501 3.12 . . . . 38.88 110.514 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mm -109.83 135.33 49.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 125.19 1.396 . . . . 122.0 109.434 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 m -135.89 145.84 30.51 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 104.087 -2.56 . . . . 142.55 104.087 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -101.22 128.42 47.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 121.026 -1.047 . . . . 78.3 110.016 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.13 160.93 25.53 Favored Glycine 0 CA--C 1.478 -2.27 0 C-N-CA 120.224 -0.989 . . . . 132.34 113.245 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' ' 30' ' ' GLU . 8.8 ptpp? -114.22 139.06 49.7 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 116.836 2.161 . . . . 178.17 116.836 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.13 128.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.834 1.254 . . . . 110.83 114.109 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.8 p -129.36 -47.34 1.19 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.408 2.003 . . . . 113.29 116.408 -174.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.45 150.58 23.53 Favored 'General case' 0 CA--C 1.486 -1.503 0 N-CA-C 102.802 -3.036 . . . . 71.12 102.802 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 20.0 m -119.76 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 116.103 1.89 . . . . 135.68 116.103 -175.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -105.57 169.79 8.26 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.956 2.502 . . . . 141.25 105.41 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.09 64.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.887 2.18 . . . . 271.48 116.887 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -106.9 -0.14 23.45 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.287 2.235 . . . . 310.7 109.516 171.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.49 155.76 16.04 Favored Glycine 0 CA--C 1.476 -2.377 0 CA-C-O 123.571 1.65 . . . . 87.6 115.951 -160.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -139.98 132.15 28.1 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 100.485 -3.895 . . . . 79.41 100.485 168.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -101.76 114.92 29.42 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 102.718 -3.067 . . . . 62.25 102.718 173.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.44 139.32 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.749 -1.204 . . . . 93.73 107.749 -173.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB3' ' HG3' ' A' ' 18' ' ' LYS . 33.1 tt0 -90.72 126.24 35.93 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 124.9 1.28 . . . . 111.65 109.034 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.72 -9.57 18.06 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 127.877 2.471 . . . . 122.61 113.143 -170.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 76.11 151.41 0.12 Allowed 'General case' 0 C--N 1.357 0.902 0 N-CA-C 118.324 2.712 . . . . 108.78 118.324 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 77.52 11.23 2.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.463 1.905 . . . . 249.36 110.46 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.06 19.25 19.79 Favored Glycine 0 C--N 1.364 2.085 0 C-N-CA 125.914 1.721 . . . . 261.8 114.53 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.353 0.6 OUTLIER -109.53 146.02 15.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 120.364 -1.668 . . . . 162.68 111.377 178.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.29 154.72 44.56 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 128.414 2.686 . . . . 124.5 108.815 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.87 -152.57 6.11 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 119.295 -1.431 . . . . 66.69 111.252 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -107.29 139.22 42.1 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.52 2.044 . . . . 130.64 116.52 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 8.2 tt -125.55 119.64 28.69 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.265 -2.865 . . . . 173.09 103.265 168.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? . . . . . 0 C--N 1.366 1.319 0 CA-C-N 120.551 1.523 . . . . 234.38 112.933 179.933 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t . . . . . 0 N--CA 1.452 -0.363 0 CA-C-O 121.551 0.691 . . . . 156.32 109.476 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.41 125.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.517 2.727 . . . . 268.83 109.161 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.94 82.15 Favored Glycine 0 C--N 1.361 1.949 0 C-N-CA 125.319 1.437 . . . . 172.39 114.06 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.05 135.3 39.24 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 105.32 -2.104 . . . . 159.43 105.32 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.01 150.97 27.75 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 115.158 1.54 . . . . 194.78 115.158 -173.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.53 160.6 27.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 C-N-CA 128.81 2.844 . . . . 166.4 108.174 -177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 124.28 39.15 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.029 2.132 . . . . 114.41 111.87 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.68 168.25 17.47 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 103.88 -2.637 . . . . 105.33 103.88 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -99.86 127.42 46.03 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 106.451 -1.685 . . . . 93.58 106.451 -170.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.86 104.27 16.2 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 104.419 -2.437 . . . . 129.39 104.419 -175.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.254 4.5 t -112.45 -49.42 2.95 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 114.878 1.436 . . . . 155.62 114.878 -162.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.59 156.55 26.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 121.431 -0.793 . . . . 52.87 112.117 -176.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.29 0.5 OUTLIER -117.59 142.44 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 127.097 2.159 . . . . 127.12 109.87 177.505 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.87 127.41 38.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.727 -1.583 . . . . 134.55 106.727 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -70.15 -31.71 69.35 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 116.566 2.061 . . . . 145.62 116.566 -173.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -65.13 -41.12 95.13 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.93 2.492 . . . . 115.07 116.158 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.65 -13.13 15.11 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 120.951 -1.093 . . . . 103.56 110.616 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.331 35.4 ttp180 62.22 53.54 2.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 128.497 2.719 . . . . 168.39 115.104 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.09 162.83 29.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 126.609 1.963 . . . . 71.7 108.596 -177.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . 0.351 2.1 pp -96.19 138.44 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 1 C-N-CA 133.063 4.545 . . . . 171.51 118.268 -176.621 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -109.31 129.71 55.51 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 130.299 3.44 . . . . 75.12 105.417 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.51 146.7 52.1 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 106.527 -1.657 . . . . 127.79 106.527 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -107.47 136.86 46.54 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 106.419 -1.697 . . . . 189.29 106.419 164.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -49.31 -17.06 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 2 C-N-CA 133.778 4.831 . . . . 139.9 122.807 -173.751 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.23 -23.35 38.11 Favored 'General case' 0 CA--C 1.507 -0.699 1 C-N-CA 132.731 4.413 . . . . 366.01 118.987 -156.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.37 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.715 2.406 . . . . 200.7 112.392 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt . . . . . 0 N--CA 1.449 -0.504 0 C-N-CA 126.471 1.908 . . . . 433.73 108.454 176.225 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.584 ' CG ' HG23 ' A' ' 76' ' ' ILE . 3.5 t80 . . . . . 0 N--CA 1.469 0.522 0 N-CA-C 113.61 0.967 . . . . 254.42 113.61 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . 0.447 ' HB2' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -50.71 -43.33 57.82 Favored 'General case' 0 CA--C 1.57 1.742 0 C-N-CA 129.342 3.057 . . . . 212.44 113.055 -172.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -78.98 -52.47 8.2 Favored 'General case' 0 C--N 1.373 1.598 1 C-N-CA 133.678 4.791 . . . . 205.99 116.493 169.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.47 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 77.1 t90 -57.4 -33.82 68.24 Favored 'General case' 0 C--N 1.365 1.244 1 C-N-CA 135.598 5.559 . . . . 104.03 114.581 -175.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 p -49.62 -30.57 5.37 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 130.936 3.694 . . . . 55.88 115.01 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.19 64.52 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.0 2.12 . . . . 50.11 114.097 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.91 -39.84 9.6 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 116.701 2.111 . . . . 125.51 116.701 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . 0.47 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 30.8 m120 -126.69 139.81 52.87 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 128.0 2.52 . . . . 70.45 113.552 -172.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 157.08 18.01 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.893 2.477 . . . . 60.0 116.61 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm -68.68 147.49 51.79 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 134.308 5.043 . . . . 147.71 113.392 172.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.07 -4.08 38.46 Favored Glycine 0 C--N 1.361 1.919 0 C-N-CA 126.047 1.784 . . . . 37.09 112.716 -164.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.69 155.48 17.6 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.103 2.961 . . . . 38.88 109.027 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 pt -116.99 134.89 59.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.978 1.711 . . . . 122.0 111.009 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.75 160.76 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.704 0 O-C-N 119.4 -2.063 . . . . 142.55 105.727 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -95.7 127.57 41.84 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.077 0.465 . . . . 78.3 109.788 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.49 167.52 18.89 Favored Glycine 0 CA--C 1.486 -1.724 0 N-CA-C 111.01 -0.836 . . . . 132.34 111.01 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.295 33.6 pttt -110.75 139.17 46.28 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 117.482 2.401 . . . . 178.17 117.482 -171.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.07 130.7 35.62 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 113.526 0.936 . . . . 110.83 113.526 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.437 HG21 ' HB2' ' A' ' 30' ' ' GLU . 77.9 p -130.53 -41.18 1.22 Allowed 'General case' 0 C--N 1.367 1.367 0 N-CA-C 118.552 2.797 . . . . 113.29 118.552 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.8 11.7 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 104.825 -2.287 . . . . 71.12 104.825 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -117.59 147.48 20.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 117.568 2.433 . . . . 135.68 117.568 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.255 5.3 m-20 -105.59 170.71 7.73 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 129.1 2.96 . . . . 141.25 106.094 172.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.0 92.77 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 118.922 -2.361 . . . . 271.48 114.756 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -104.18 0.64 29.75 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 131.501 3.92 . . . . 310.7 110.534 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 150.17 16.83 Favored Glycine 0 C--N 1.366 2.215 0 CA-C-O 124.042 1.912 . . . . 87.6 115.245 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . . . -142.51 131.5 23.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 100.269 -3.975 . . . . 79.41 100.269 164.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.38 128.89 52.31 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 107.05 -1.463 . . . . 62.25 107.05 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.84 133.1 47.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 105.589 -2.004 . . . . 93.73 105.589 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.437 ' HB2' HG21 ' A' ' 20' ' ' THR . 34.5 tt0 -94.27 130.27 40.61 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 123.472 1.606 . . . . 111.65 108.506 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.35 -32.81 6.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 112.41 -2.177 . . . . 122.61 107.594 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.268 . . 94.7 161.26 0.02 OUTLIER 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.156 2.982 . . . . 108.78 117.401 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 96.73 5.1 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 130.515 3.526 . . . . 249.36 108.858 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.77 -25.78 16.05 Favored Glycine 0 C--N 1.365 2.174 0 C-N-CA 124.977 1.275 . . . . 261.8 111.284 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.447 HG21 ' HB2' ' A' ' 3' ' ' ASN . 0.0 OUTLIER -89.5 137.29 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 127.013 2.125 . . . . 162.68 113.322 -178.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 27.0 mt-10 -127.08 155.49 43.19 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.912 2.885 . . . . 124.5 111.074 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.626 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -117.73 -166.98 14.09 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 109.576 -1.409 . . . . 66.69 109.576 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -115.14 138.07 51.32 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 120.621 2.211 . . . . 130.64 116.119 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 27' ' ' ALA 0.442 0.4 OUTLIER -121.17 124.78 45.55 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 118.865 -2.397 . . . . 173.09 110.453 164.261 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? . . . . . 0 C--N 1.367 1.367 0 N-CA-C 116.703 2.112 . . . . 234.38 116.703 -175.949 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p . . . . . 0 CA--C 1.519 -0.215 0 N-CA-C 108.386 -0.968 . . . . 156.32 108.386 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.09 124.1 30.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 126.987 2.115 . . . . 268.83 111.3 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 -3.05 55.05 Favored Glycine 0 C--N 1.361 1.936 0 O-C-N 121.211 -0.93 . . . . 172.39 112.794 -172.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -108.92 151.83 25.76 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 107.415 -1.328 . . . . 159.43 107.415 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -107.4 152.94 23.5 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 115.902 1.815 . . . . 194.78 115.902 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.58 158.69 27.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 C-N-CA 127.086 2.154 . . . . 166.4 106.183 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -94.92 130.19 41.64 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.769 2.028 . . . . 114.41 111.154 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.74 166.18 23.54 Favored 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 120.557 -1.34 . . . . 105.33 107.578 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -101.54 126.59 48.37 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 125.865 1.666 . . . . 93.58 110.086 -174.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -96.71 113.11 24.64 Favored 'General case' 0 C--N 1.372 1.544 0 N-CA-C 106.678 -1.601 . . . . 129.39 106.678 -175.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.7 m -153.93 56.78 0.73 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 124.007 1.861 . . . . 155.62 107.935 -172.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.23 149.36 4.97 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 119.749 -1.844 . . . . 52.87 113.472 171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.328 0.1 OUTLIER -127.86 141.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 128.061 2.544 . . . . 127.12 109.615 176.127 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.35 127.99 42.86 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.44 1.896 . . . . 134.55 105.982 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -70.78 -22.79 62.34 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.503 2.038 . . . . 145.62 116.503 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.0 -40.39 65.24 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.221 2.208 . . . . 115.07 115.406 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 -12.85 15.32 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.819 -1.176 . . . . 103.56 110.504 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 62.78 39.86 10.48 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.812 2.445 . . . . 168.39 112.412 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -126.34 164.33 21.29 Favored 'General case' 0 N--CA 1.412 -2.345 0 C-N-CA 129.735 3.214 . . . . 71.7 108.162 -172.145 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 1.005 ' H ' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.17 139.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 1 C-N-CA 134.734 5.214 . . . . 171.51 114.795 -167.986 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -113.14 115.83 28.89 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.542 -3.133 . . . . 75.12 102.542 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.63 HD12 ' HB ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -143.9 145.44 32.29 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 113.109 -1.859 . . . . 127.79 106.436 -173.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -107.13 145.03 32.99 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 125.185 1.394 . . . . 189.29 107.659 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.427 0.0 OUTLIER -49.84 -14.95 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 1 N-CA-C 123.805 4.743 . . . . 139.9 123.805 178.82 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -81.29 -43.08 19.65 Favored 'General case' 0 N--CA 1.471 0.598 1 N-CA-C 122.021 4.082 . . . . 366.01 122.021 -155.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.293 . . 99.36 -0.68 0.03 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.269 2.628 . . . . 200.7 113.438 -171.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt . . . . . 0 C--N 1.364 1.213 0 O-C-N 120.962 -1.086 . . . . 433.73 109.595 175.289 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.544 ' CG ' HG23 ' A' ' 76' ' ' ILE 0.301 0.0 OUTLIER . . . . . 0 CA--C 1.502 -0.894 0 N-CA-C 113.645 0.979 . . . . 254.42 113.645 . . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -49.51 -30.19 7.99 Favored 'General case' 0 CA--C 1.59 2.482 0 C-N-CA 126.02 1.728 . . . . 212.44 113.576 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -76.59 -50.81 12.91 Favored 'General case' 0 C--N 1.372 1.544 1 C-N-CA 132.878 4.471 . . . . 205.99 113.357 170.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.85 -33.81 69.05 Favored 'General case' 0 C--N 1.363 1.19 1 C-N-CA 133.956 4.903 . . . . 104.03 114.268 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.41 -31.46 8.69 Favored 'Isoleucine or valine' 0 C--N 1.371 1.541 0 C-N-CA 129.763 3.225 . . . . 55.88 116.012 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.38 -25.5 42.15 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.549 1.54 . . . . 50.11 113.47 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.02 -39.56 9.69 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.062 2.145 . . . . 125.51 115.914 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -113.52 148.34 36.24 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 115.033 1.494 . . . . 70.45 115.033 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -106.7 141.24 38.28 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 115.425 1.639 . . . . 60.0 115.425 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -73.09 144.59 46.96 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 128.262 2.625 . . . . 147.71 111.425 169.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.99 -3.92 41.46 Favored Glycine 0 C--N 1.367 2.255 0 CA-C-O 122.506 1.059 . . . . 37.09 112.817 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.93 168.69 9.95 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 129.249 3.02 . . . . 38.88 109.773 -172.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.16 136.28 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 125.965 1.706 . . . . 122.0 111.663 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.32 163.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 N-CA-C 105.757 -1.942 . . . . 142.55 105.757 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.8 m -115.08 130.87 57.04 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.689 -2.337 . . . . 78.3 104.689 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 31' ' ' LEU . . . -136.09 176.14 20.44 Favored Glycine 0 C--N 1.361 1.957 0 C-N-CA 120.145 -1.026 . . . . 132.34 115.042 174.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.259 18.9 ptmt -128.78 145.6 51.14 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 115.047 1.499 . . . . 178.17 115.047 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -78.09 123.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 C-N-CA 123.902 0.881 . . . . 110.83 112.124 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -129.35 -19.27 3.49 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 114.815 1.413 . . . . 113.29 114.815 -170.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.38 153.74 20.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 105.372 -2.085 . . . . 71.12 105.372 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.64 142.89 29.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 N-CA-C 114.16 1.17 . . . . 135.68 114.16 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.284 1.9 m-20 -106.64 169.22 8.66 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.289 2.236 . . . . 141.25 106.757 172.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.66 81.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.691 -1.881 . . . . 271.48 114.908 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -106.7 0.16 24.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.312 2.645 . . . . 310.7 110.202 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.97 163.07 21.71 Favored Glycine 0 CA--C 1.481 -2.092 0 CA-C-O 124.467 2.149 . . . . 87.6 116.582 -156.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.95 131.2 24.96 Favored 'General case' 0 N--CA 1.425 -1.689 1 N-CA-C 99.764 -4.161 . . . . 79.41 99.764 166.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -106.72 126.38 52.22 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.795 -2.298 . . . . 62.25 104.795 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -111.34 137.12 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.771 2.028 . . . . 93.73 107.978 -170.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.0 122.89 33.43 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.909 2.084 . . . . 111.65 106.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.455 HD23 ' HA3' ' A' ' 17' ' ' GLY . 11.2 mt -109.48 3.98 21.87 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 127.228 2.211 . . . . 122.61 113.878 -168.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.61 163.53 0.27 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.811 2.444 . . . . 108.78 117.535 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 72.32 7.97 5.74 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.81 2.044 . . . . 249.36 111.485 -171.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 13.8 51.68 Favored Glycine 0 C--N 1.365 2.189 0 C-N-CA 127.244 2.354 . . . . 261.8 113.551 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -95.06 145.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.138 0 C-N-CA 127.244 2.218 . . . . 162.68 113.815 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -127.84 154.92 44.9 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 128.536 2.734 . . . . 124.5 112.384 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.704 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -156.02 -151.61 5.97 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 119.488 -1.339 . . . . 66.69 110.808 167.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.34 137.97 44.41 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 118.316 2.709 . . . . 130.64 118.316 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.95 117.41 29.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 104.606 -2.368 . . . . 173.09 104.606 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 . . . . . 0 C--N 1.363 1.194 0 N-CA-C 114.87 1.433 . . . . 234.38 114.87 -173.509 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t . . . . . 0 CA--C 1.52 -0.191 0 CA-C-O 122.87 1.319 . . . . 156.32 109.739 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.27 75.6 t -74.79 121.41 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 128.39 2.676 . . . . 268.83 109.759 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.13 -2.56 56.61 Favored Glycine 0 C--N 1.36 1.902 0 O-C-N 121.509 -0.744 . . . . 172.39 112.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.54 138.31 33.38 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.747 1.619 . . . . 159.43 108.36 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -89.05 152.79 21.47 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 117.908 2.558 . . . . 194.78 117.908 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.13 162.52 24.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 N-CA-C 105.433 -2.062 . . . . 166.4 105.433 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -124.51 142.85 51.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.73 -1.232 . . . . 114.41 108.723 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.37 169.84 16.91 Favored 'General case' 0 CA--C 1.488 -1.438 0 C-N-CA 117.412 -1.715 . . . . 105.33 109.78 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -100.34 130.34 46.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.659 -1.978 . . . . 93.58 105.659 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.72 104.53 16.56 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.176 -1.787 . . . . 129.39 106.176 -172.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.3 2.5 t -113.1 -37.86 4.64 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 118.916 -1.114 . . . . 155.62 113.781 -166.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.05 179.76 39.45 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 120.234 -0.984 . . . . 52.87 114.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.411 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.2 OUTLIER -124.77 138.92 52.54 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 C-N-CA 126.903 2.081 . . . . 127.12 107.59 175.311 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -100.98 127.37 47.51 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 104.524 -2.398 . . . . 134.55 104.524 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.04 -16.59 63.18 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.483 1.66 . . . . 145.62 115.483 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.41 -35.67 65.87 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 128.76 2.824 . . . . 115.07 112.861 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.296 76.4 m-20 -101.27 -14.95 17.45 Favored 'General case' 0 C--N 1.362 1.146 0 O-C-N 120.718 -1.239 . . . . 103.56 112.446 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 58.21 32.91 22.61 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.05 2.54 . . . . 168.39 111.921 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.07 166.62 22.32 Favored 'General case' 0 N--CA 1.42 -1.965 0 C-N-CA 130.577 3.551 . . . . 71.7 111.581 -167.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.544 HG23 ' CG ' ' A' ' 2' ' ' PHE . 8.2 pt -93.79 138.8 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 131.693 3.997 . . . . 171.51 114.936 -175.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -113.46 116.14 29.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.744 3.218 . . . . 75.12 103.568 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.704 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -136.43 133.94 37.18 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 102.734 -3.061 . . . . 127.79 102.734 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -107.94 144.3 35.4 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.431 1.492 . . . . 189.29 107.344 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.353 1.5 p -48.32 -14.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 1 N-CA-C 122.336 4.198 . . . . 139.9 122.336 -172.902 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.35 -25.14 65.61 Favored 'General case' 0 C--N 1.316 -0.89 2 C-N-CA 134.649 5.18 . . . . 366.01 122.366 -151.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 69.65 -56.82 0.56 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.578 1.951 . . . . 200.7 115.396 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.4 tptt . . . . . 0 C--N 1.349 0.572 0 N-CA-C 107.647 -1.242 . . . . 433.73 107.647 177.632 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.486 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.259 0.0 OUTLIER . . . . . 0 C--O 1.219 -0.509 0 N-CA-C 113.842 1.053 . . . . 254.42 113.842 . . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -32.13 8.96 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 126.507 1.923 . . . . 212.44 114.942 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -78.13 -33.28 50.57 Favored 'General case' 0 C--N 1.373 1.601 1 C-N-CA 137.162 6.185 . . . . 205.99 117.779 169.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -33.55 73.7 Favored 'General case' 0 C--N 1.353 0.731 1 C-N-CA 134.055 4.942 . . . . 104.03 115.342 -171.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.445 HG23 ' H ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -49.95 -32.07 7.8 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 C-N-CA 130.827 3.651 . . . . 55.88 115.019 -174.594 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.31 64.64 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 129.326 3.05 . . . . 50.11 113.682 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -95.94 -40.5 9.25 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.047 -1.033 . . . . 125.51 113.615 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -128.07 124.63 37.5 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.603 1.961 . . . . 70.45 110.232 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.32 156.64 18.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.631 1.973 . . . . 60.0 115.162 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -56.24 145.25 27.17 Favored 'General case' 0 C--N 1.361 1.089 1 C-N-CA 132.197 4.199 . . . . 147.71 115.746 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 -3.61 39.88 Favored Glycine 0 C--N 1.368 2.319 0 CA-C-O 122.844 1.247 . . . . 37.09 114.349 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.0 173.68 6.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 128.654 2.782 . . . . 38.88 111.142 -169.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.96 134.78 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 O-C-N 120.132 -1.605 . . . . 122.0 108.091 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.32 145.41 32.93 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 N-CA-C 104.064 -2.569 . . . . 142.55 104.064 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -99.63 129.49 45.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.927 0.891 . . . . 78.3 111.362 -173.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.31 28.21 Favored Glycine 0 C--N 1.361 1.948 0 C-N-CA 119.534 -1.317 . . . . 132.34 114.85 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 0.0 OUTLIER -123.9 150.87 44.18 Favored 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 115.729 1.751 . . . . 178.17 115.729 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.19 130.02 36.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.485 0 CA-C-N 114.683 -1.144 . . . . 110.83 113.521 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.577 ' HA ' HG23 ' A' ' 58' ' ' VAL . 5.1 t -139.23 -14.46 1.14 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 116.596 2.072 . . . . 113.29 116.596 -174.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.34 154.93 10.77 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 120.594 1.543 . . . . 71.12 106.847 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 m -117.21 142.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 120.762 -1.211 . . . . 135.68 113.224 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.295 1.9 m-20 -106.36 169.6 8.42 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.319 2.247 . . . . 141.25 105.242 171.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.7 82.53 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 118.728 -2.483 . . . . 271.48 115.87 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -106.75 0.22 24.01 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.206 3.002 . . . . 310.7 109.296 172.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.16 161.46 13.47 Favored Glycine 0 CA--C 1.478 -2.26 0 CA-C-O 124.389 2.105 . . . . 87.6 117.205 -162.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -135.49 131.58 36.28 Favored 'General case' 0 N--CA 1.422 -1.84 1 N-CA-C 98.573 -4.603 . . . . 79.41 98.573 167.11 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.99 121.63 43.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.872 -2.27 . . . . 62.25 104.872 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.71 139.51 27.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.023 -1.473 . . . . 93.73 107.023 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -94.59 126.63 40.0 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 107.624 -1.25 . . . . 111.65 107.624 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 78' ' ' LEU . 1.8 mt -106.28 -2.04 22.78 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.805 2.042 . . . . 122.61 113.194 -172.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 74.73 162.28 0.25 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 118.487 2.773 . . . . 108.78 118.487 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 70.0 8.21 6.58 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 126.567 1.947 . . . . 249.36 111.908 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 10.57 42.71 Favored Glycine 0 C--N 1.362 1.994 0 C-N-CA 126.237 1.875 . . . . 261.8 113.441 -172.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.49 141.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 CA-C-N 119.983 1.892 . . . . 162.68 112.581 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -127.82 155.2 44.48 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.992 2.517 . . . . 124.5 111.994 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.73 -153.67 6.73 Favored Glycine 0 C--N 1.368 2.352 0 C-N-CA 119.003 -1.57 . . . . 66.69 110.826 169.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.453 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.7 m-85 -106.6 140.08 40.03 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.423 2.379 . . . . 130.64 117.423 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' HG13 ' A' ' 80' ' ' VAL . 7.1 tt -122.6 120.09 32.75 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 103.901 -2.629 . . . . 173.09 103.901 166.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 . . . . . 0 C--N 1.365 1.255 0 O-C-N 119.846 -1.784 . . . . 234.38 115.694 -176.842 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 p . . . . . 0 N--CA 1.451 -0.41 0 N-CA-C 106.868 -1.53 . . . . 156.32 106.868 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.577 HG23 ' HA ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -74.89 122.75 29.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.975 0 C-N-CA 127.088 2.155 . . . . 268.83 109.703 177.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -3.06 39.96 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.749 0.69 . . . . 172.39 111.774 -168.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.9 149.91 29.21 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 118.484 1.142 . . . . 159.43 109.154 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -92.94 154.79 17.97 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 118.926 2.936 . . . . 194.78 118.926 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 m -134.26 161.99 39.79 Favored 'Isoleucine or valine' 0 C--N 1.372 1.563 0 C-N-CA 126.982 2.113 . . . . 166.4 105.519 172.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.65 119.34 35.2 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 101.714 -3.439 . . . . 114.41 101.714 172.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.08 168.43 16.78 Favored 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 116.276 -2.169 . . . . 105.33 105.669 -166.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -99.36 130.32 45.63 Favored 'General case' 0 CA--C 1.487 -1.468 0 N-CA-C 106.849 -1.537 . . . . 93.58 106.849 -169.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.86 103.74 15.63 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 104.791 -2.3 . . . . 129.39 104.791 -171.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.2 p -98.72 -68.97 0.78 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 115.479 -0.782 . . . . 155.62 110.891 -168.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.93 174.39 37.54 Favored Glycine 0 CA--C 1.494 -1.264 0 CA-C-O 123.275 1.486 . . . . 52.87 115.16 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.486 HG11 ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -125.66 141.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 129.491 3.116 . . . . 127.12 106.817 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -100.94 127.92 47.2 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 103.394 -2.817 . . . . 134.55 103.394 167.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -49.86 -29.76 8.67 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 129.979 3.312 . . . . 145.62 118.0 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -71.86 -24.33 61.67 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.093 2.957 . . . . 115.07 114.606 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.284 64.8 m-80 -102.76 -14.58 16.58 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 120.523 -1.361 . . . . 103.56 111.315 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 48.58 31.08 2.74 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 132.309 4.244 . . . . 168.39 111.777 -165.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.94 161.87 34.03 Favored 'General case' 0 N--CA 1.419 -2.012 0 C-N-CA 125.764 1.626 . . . . 71.7 111.14 -170.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.44 HG23 ' CG ' ' A' ' 2' ' ' PHE . 13.8 pt -95.57 139.39 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 1 C-N-CA 135.444 5.497 . . . . 171.51 118.472 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -110.45 133.72 53.01 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 130.576 3.55 . . . . 75.12 106.454 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 31' ' ' LEU . 1.5 mt -128.09 145.97 50.84 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.09 -1.448 . . . . 127.79 107.09 175.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 p -106.98 126.97 53.02 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 105.367 -2.086 . . . . 189.29 105.367 167.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.54 HG13 ' HG ' ' A' ' 39' ' ' LEU . 1.5 t -47.89 -17.06 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 2 N-CA-C 126.602 5.778 . . . . 139.9 126.602 -162.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -80.47 -43.35 21.0 Favored 'General case' 0 C--N 1.328 -0.361 1 N-CA-C 122.545 4.276 . . . . 366.01 122.545 -154.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.253 . . 98.82 -16.95 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 128.138 2.575 . . . . 200.7 111.122 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt . . . . . 0 C--N 1.354 0.784 0 C-N-CA 124.414 1.086 . . . . 433.73 113.018 -178.606 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.401 0.0 OUTLIER . . . . . 0 CA--C 1.503 -0.836 0 N-CA-C 113.136 0.791 . . . . 254.42 113.136 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -31.59 7.75 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 128.669 2.788 . . . . 212.44 113.086 -170.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -77.94 -50.9 11.29 Favored 'General case' 0 C--N 1.375 1.7 1 C-N-CA 137.419 6.288 . . . . 205.99 116.566 168.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.64 45.24 Favored 'General case' 0 C--N 1.355 0.829 1 C-N-CA 136.259 5.824 . . . . 104.03 117.282 -177.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 6' ' ' VAL . 1.7 t -49.95 -30.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 C-N-CA 131.007 3.723 . . . . 55.88 113.767 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.45 77.14 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.2 2.6 . . . . 50.11 114.343 171.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.26 -39.26 9.74 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.645 2.378 . . . . 125.51 116.922 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -112.17 152.56 28.2 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.801 . . . . 70.45 115.325 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -106.84 135.7 47.93 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 117.091 2.256 . . . . 60.0 117.091 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -74.67 145.02 43.51 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.252 3.021 . . . . 147.71 112.927 167.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.05 -4.12 57.28 Favored Glycine 0 C--N 1.372 2.53 0 CA-C-O 122.889 1.272 . . . . 37.09 113.151 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.42 163.66 12.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 129.151 2.98 . . . . 38.88 108.809 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.57 135.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.927 1.691 . . . . 122.0 111.219 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.85 160.14 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.676 0 N-CA-C 105.527 -2.027 . . . . 142.55 105.527 -170.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 t -98.23 127.83 44.37 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.559 1.171 . . . . 78.3 108.583 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.4 166.34 24.19 Favored Glycine 0 CA--C 1.481 -2.088 0 N-CA-C 109.77 -1.332 . . . . 132.34 109.77 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.92 142.43 46.79 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 117.873 2.545 . . . . 178.17 117.873 -174.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 132.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-N 114.487 -1.233 . . . . 110.83 113.601 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.252 3.4 m -142.5 -45.08 0.32 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 118.958 -2.339 . . . . 113.29 116.615 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 149.17 28.23 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.094 -2.558 . . . . 71.12 104.094 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.269 16.0 m -117.71 147.24 21.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 115.179 1.548 . . . . 135.68 115.179 -176.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.66 168.85 8.83 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.268 2.227 . . . . 141.25 105.629 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.15 75.55 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 119.75 -1.844 . . . . 271.48 115.077 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.5 -0.09 24.26 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.4 3.08 . . . . 310.7 110.279 174.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.14 160.29 21.92 Favored Glycine 0 CA--C 1.479 -2.171 0 N-CA-C 118.699 2.24 . . . . 87.6 118.699 -156.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.71 25.43 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 101.875 -3.38 . . . . 79.41 101.875 165.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -100.72 125.0 47.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 103.283 -2.858 . . . . 62.25 103.283 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.02 142.32 21.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 125.339 1.456 . . . . 93.73 108.045 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -89.74 127.76 36.0 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.352 1.061 . . . . 111.65 110.006 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.64 0.39 20.63 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 128.095 2.558 . . . . 122.61 111.445 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 66.54 157.34 0.11 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 119.251 3.056 . . . . 108.78 119.251 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.28 12.58 4.82 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.628 1.971 . . . . 249.36 111.604 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.59 23.64 18.13 Favored Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.901 1.715 . . . . 261.8 113.201 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.6 t -104.13 137.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.683 1.593 . . . . 162.68 109.582 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.84 154.41 45.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 126.027 1.731 . . . . 124.5 108.982 174.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.45 -158.98 7.91 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.807 -0.917 . . . . 66.69 110.807 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.522 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.6 m-85 -106.4 139.13 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.884 2.073 . . . . 130.64 113.446 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 80' ' ' VAL 0.273 1.0 OUTLIER -133.85 133.57 41.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 102.56 -3.126 . . . . 173.09 102.56 175.405 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.526 ' H ' HG13 ' A' ' 80' ' ' VAL . 40.0 mtp180 . . . . . 0 C--N 1.35 0.596 0 O-C-N 119.003 -2.311 . . . . 234.38 112.497 174.358 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 t . . . . . 0 CA--C 1.518 -0.271 0 CA-C-O 121.799 0.809 . . . . 156.32 112.969 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 p -57.04 123.32 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 127.258 2.223 . . . . 268.83 111.946 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.55 -3.01 86.51 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 120.711 -1.243 . . . . 172.39 115.68 -167.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -99.94 142.82 30.9 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 105.378 -2.082 . . . . 159.43 105.378 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -100.36 143.98 29.91 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.608 2.818 . . . . 194.78 118.608 -166.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 t -119.06 147.99 22.25 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 127.677 2.391 . . . . 166.4 107.749 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -95.12 119.46 33.67 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 106.545 -1.65 . . . . 114.41 106.545 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.16 160.62 34.25 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 104.697 -2.334 . . . . 105.33 104.697 -169.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -100.2 136.24 40.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 125.807 1.643 . . . . 93.58 109.454 -166.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.19 105.15 17.15 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 106.325 -1.731 . . . . 129.39 106.325 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.9 p -92.44 -46.1 7.82 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 114.171 -1.377 . . . . 155.62 113.859 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.17 176.04 47.58 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 110.431 -1.068 . . . . 52.87 110.431 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.269 0.4 OUTLIER -125.15 142.62 41.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 126.96 2.104 . . . . 127.12 107.893 -178.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.97 125.52 33.44 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.615 -1.995 . . . . 134.55 105.615 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -70.83 -29.93 66.21 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.941 2.2 . . . . 145.62 116.941 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -71.89 -40.57 68.79 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 127.049 2.14 . . . . 115.07 115.488 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -12.44 15.38 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.198 -0.939 . . . . 103.56 111.192 174.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.357 64.8 mtp85 67.08 54.39 0.75 Allowed 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.575 2.435 . . . . 168.39 117.575 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.95 162.83 30.61 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.338 1.855 . . . . 71.7 108.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pp -94.59 138.76 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 1 C-N-CA 132.897 4.479 . . . . 171.51 112.651 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.4 m -113.51 131.1 56.18 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.949 2.9 . . . . 75.12 105.582 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.522 ' H ' ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -122.73 146.52 47.42 Favored 'General case' 0 CA--C 1.486 -1.514 0 CA-C-O 123.482 1.611 . . . . 127.79 106.886 175.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.9 m -106.66 136.59 46.19 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 101.652 -3.462 . . . . 189.29 101.652 169.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.526 HG13 ' H ' ' A' ' 40' ' ' ARG . 5.4 m -49.29 -16.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 1 N-CA-C 125.83 5.493 . . . . 139.9 125.83 -174.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -68.75 -42.79 77.02 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 121.733 3.975 . . . . 366.01 121.733 -146.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 78.64 -58.75 0.43 Allowed 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.551 1.941 . . . . 200.7 110.789 -171.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 C--N 1.348 0.53 0 C-N-CA 130.516 3.527 . . . . 433.73 105.908 172.648 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.531 ' CG ' HG23 ' A' ' 76' ' ' ILE . 47.3 t80 . . . . . 0 N--CA 1.443 -0.802 0 N-CA-C 117.534 2.42 . . . . 254.42 117.534 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.05 22.55 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 127.047 2.139 . . . . 212.44 114.077 -168.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -78.88 -52.48 8.24 Favored 'General case' 0 C--N 1.367 1.337 1 C-N-CA 135.927 5.691 . . . . 205.99 117.27 168.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.355 0.809 1 C-N-CA 134.876 5.27 . . . . 104.03 115.975 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.02 -31.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 130.591 3.556 . . . . 55.88 115.112 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.46 2.704 . . . . 50.11 114.409 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -96.28 -39.12 9.81 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.017 2.228 . . . . 125.51 117.017 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.31 140.98 37.62 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.508 1.923 . . . . 70.45 115.16 -170.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -105.65 154.66 20.13 Favored 'General case' 0 C--N 1.367 1.368 0 N-CA-C 115.854 1.798 . . . . 60.0 115.854 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -73.91 143.97 45.54 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 129.343 3.057 . . . . 147.71 111.518 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.47 -4.51 47.47 Favored Glycine 0 C--N 1.366 2.232 0 CA-C-O 123.906 1.837 . . . . 37.09 112.261 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.06 164.93 12.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 129.581 3.152 . . . . 38.88 107.777 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 pt -114.87 135.43 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.687 0 C-N-CA 124.811 1.244 . . . . 122.0 109.009 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 t -131.53 144.74 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.34 0 N-CA-C 102.27 -3.233 . . . . 142.55 102.27 -171.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -104.74 127.9 52.67 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 122.616 1.198 . . . . 78.3 108.56 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.94 164.58 28.21 Favored Glycine 0 CA--C 1.48 -2.131 0 CA-C-N 114.788 -1.096 . . . . 132.34 112.461 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -109.82 131.64 54.88 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 118.351 2.722 . . . . 178.17 118.351 -167.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 58' ' ' VAL . 9.9 p -65.97 128.84 29.6 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 115.648 1.721 . . . . 110.83 115.648 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.527 ' HA ' HG23 ' A' ' 58' ' ' VAL 0.258 0.2 OUTLIER -138.65 -42.81 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 1 N-CA-C 122.152 4.13 . . . . 113.29 122.152 -168.473 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.02 154.56 29.79 Favored 'General case' 0 CA--C 1.499 -1.019 0 O-C-N 119.381 -2.074 . . . . 71.12 107.01 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.45 147.2 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 117.97 2.581 . . . . 135.68 117.97 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.276 24.5 m-20 -105.94 168.79 8.89 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.381 2.672 . . . . 141.25 105.511 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 116.913 2.19 . . . . 271.48 116.913 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -106.99 0.66 23.86 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 129.223 3.009 . . . . 310.7 110.678 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.93 162.87 17.82 Favored Glycine 0 CA--C 1.467 -2.937 0 N-CA-C 117.751 1.86 . . . . 87.6 117.751 -154.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.18 145.37 35.58 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 124.413 2.054 . . . . 79.41 105.471 168.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -110.41 130.43 55.56 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.573 -1.649 . . . . 62.25 109.02 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.37 132.97 47.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 C-N-CA 126.609 1.964 . . . . 93.73 106.505 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.11 121.24 27.17 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 122.936 1.35 . . . . 111.65 110.139 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.57 -10.24 11.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.441 -1.709 . . . . 122.61 110.024 -171.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.261 . . 85.49 165.79 0.09 Allowed 'General case' 0 C--N 1.364 1.213 0 C-N-CA 129.738 3.215 . . . . 108.78 119.185 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 82.03 8.05 0.93 Allowed 'General case' 0 C--N 1.364 1.228 0 C-N-CA 130.539 3.535 . . . . 249.36 110.806 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.67 -11.77 53.6 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.676 1.608 . . . . 261.8 113.736 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 5.9 t -100.31 143.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 125.103 1.361 . . . . 162.68 110.927 -179.038 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.78 154.38 27.49 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.732 1.613 . . . . 124.5 112.097 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.64 -163.72 28.14 Favored Glycine 0 C--N 1.363 2.077 0 C-N-CA 125.176 1.369 . . . . 66.69 110.187 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.92 138.24 42.44 Favored 'General case' 0 C--N 1.364 1.238 0 O-C-N 120.099 -1.824 . . . . 130.64 114.352 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.19 132.23 41.32 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 102.507 -3.146 . . . . 173.09 102.507 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.411 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 66.4 mtp180 . . . . . 0 C--N 1.348 0.505 0 C-N-CA 127.687 2.395 . . . . 234.38 113.964 174.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p . . . . . 0 C--O 1.224 -0.288 0 N-CA-C 115.991 1.849 . . . . 156.32 115.991 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.36 123.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 129.057 2.943 . . . . 268.83 115.092 171.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.29 -3.64 64.11 Favored Glycine 0 C--N 1.362 2.006 0 C-N-CA 125.5 1.524 . . . . 172.39 113.531 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.82 130.51 34.66 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.334 1.854 . . . . 159.43 107.568 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -105.18 149.84 25.58 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.785 1.772 . . . . 194.78 115.785 -174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.91 158.81 36.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 127.248 2.219 . . . . 166.4 106.362 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -95.18 122.4 37.82 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.595 1.958 . . . . 114.41 106.563 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.22 169.66 15.09 Favored 'General case' 0 CA--C 1.477 -1.855 0 N-CA-C 102.346 -3.205 . . . . 105.33 102.346 -166.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -99.03 136.35 39.13 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 104.842 -2.281 . . . . 93.58 104.842 -170.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -96.49 103.72 15.65 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 102.002 -3.332 . . . . 129.39 102.002 -177.1 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.281 12.9 t -107.39 -55.77 2.3 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 112.829 0.677 . . . . 155.62 112.829 -164.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.9 165.12 29.24 Favored Glycine 0 C--N 1.351 1.368 0 N-CA-C 110.498 -1.041 . . . . 52.87 110.498 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.474 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.5 OUTLIER -124.41 142.29 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.904 0 C-N-CA 126.001 1.72 . . . . 127.12 107.536 178.774 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -92.37 128.17 38.12 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.709 -1.589 . . . . 134.55 106.709 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.68 -20.59 62.68 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.641 1.576 . . . . 145.62 114.726 -178.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.46 -40.62 70.19 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 127.641 2.376 . . . . 115.07 115.493 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -12.94 15.25 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.349 -1.47 . . . . 103.56 109.919 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 63.32 46.41 4.47 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.109 2.564 . . . . 168.39 111.759 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.97 162.68 31.39 Favored 'General case' 0 N--CA 1.417 -2.121 0 C-N-CA 128.633 2.773 . . . . 71.7 109.19 -170.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.531 HG23 ' CG ' ' A' ' 2' ' ' PHE 0.266 8.9 pt -95.23 140.92 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 1 C-N-CA 134.106 4.963 . . . . 171.51 115.874 -173.016 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -111.66 130.77 55.66 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 103.333 -2.84 . . . . 75.12 103.333 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 145.1 50.88 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.449 -1.315 . . . . 127.79 107.449 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.1 t -106.62 123.24 47.82 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 103.907 -2.627 . . . . 189.29 103.907 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.411 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.379 11.7 m -49.23 -17.64 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 N-CA-C 127.552 6.13 . . . . 139.9 127.552 -167.081 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -81.54 -42.31 20.36 Favored 'General case' 0 C--N 1.329 -0.322 1 C-N-CA 133.215 4.606 . . . . 366.01 118.914 -163.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 90.3 11.32 0.06 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.384 3.074 . . . . 200.7 114.746 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 pttm . . . . . 0 C--N 1.356 0.85 0 C-N-CA 126.754 2.022 . . . . 433.73 107.288 179.93 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.48 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 37.5 t80 . . . . . 0 CA--C 1.469 -2.171 0 N-CA-C 115.52 1.674 . . . . 254.42 115.52 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -50.84 -49.93 57.84 Favored 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 124.479 1.112 . . . . 212.44 113.249 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -80.01 -52.74 7.46 Favored 'General case' 0 C--N 1.378 1.836 1 C-N-CA 131.997 4.119 . . . . 205.99 116.634 163.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.408 ' HB3' ' HA ' ' A' ' 2' ' ' PHE . 40.9 t90 -52.63 -32.05 39.85 Favored 'General case' 0 C--N 1.373 1.593 1 C-N-CA 133.269 4.628 . . . . 104.03 116.28 -174.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.89 -31.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 C-N-CA 130.786 3.634 . . . . 55.88 114.189 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.32 -30.62 64.94 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.19 1.796 . . . . 50.11 114.559 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 tp -96.42 -39.78 9.42 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 115.923 1.823 . . . . 125.51 115.923 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -102.41 145.32 29.7 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 120.669 -1.269 . . . . 70.45 114.312 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -106.89 154.6 20.8 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-O 123.674 1.702 . . . . 60.0 115.476 -173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.78 125.5 28.26 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.035 -1.666 . . . . 147.71 109.499 165.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.65 -4.76 39.94 Favored Glycine 0 C--N 1.36 1.889 0 C-N-CA 123.916 0.769 . . . . 37.09 114.14 -162.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.5 161.37 16.26 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.81 1.644 . . . . 38.88 108.627 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.66 135.42 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 119.611 -1.931 . . . . 122.0 111.974 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.41 151.64 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.608 0 O-C-N 119.42 -2.05 . . . . 142.55 106.1 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 p -95.53 127.28 41.43 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.051 0.453 . . . . 78.3 110.049 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.07 151.18 17.07 Favored Glycine 0 CA--C 1.475 -2.466 0 N-CA-C 110.184 -1.166 . . . . 132.34 110.184 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.255 22.7 pttm -110.94 130.06 55.7 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 125.208 1.403 . . . . 178.17 114.161 -175.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.34 128.46 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 115.964 1.838 . . . . 110.83 115.964 -171.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.9 p -129.84 -54.1 1.14 Allowed 'General case' 0 C--N 1.369 1.438 0 N-CA-C 118.265 2.691 . . . . 113.29 118.265 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.72 134.01 36.69 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 104.556 -2.387 . . . . 71.12 104.556 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.23 141.03 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 115.863 1.801 . . . . 135.68 115.863 -169.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.262 1.4 m-20 -105.87 169.32 8.55 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.19 2.596 . . . . 141.25 104.806 170.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.09 70.88 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.348 -2.095 . . . . 271.48 116.555 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -107.45 -0.12 22.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.241 2.616 . . . . 310.7 110.491 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.94 145.03 17.81 Favored Glycine 0 CA--C 1.473 -2.538 0 C-N-CA 124.477 1.037 . . . . 87.6 114.218 -162.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.74 136.69 29.17 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.222 -2.14 . . . . 79.41 105.222 165.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 118.61 37.24 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 107.429 -1.323 . . . . 62.25 107.429 172.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.78 144.57 13.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.876 -1.157 . . . . 93.73 107.876 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -87.19 126.19 34.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.256 1.503 . . . . 111.65 111.248 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -110.95 -31.28 7.2 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 128.935 2.894 . . . . 122.61 109.906 -175.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.263 . . 96.71 163.98 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.738 3.215 . . . . 108.78 116.286 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . 0.257 7.7 t70 84.46 10.7 0.38 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 131.123 3.769 . . . . 249.36 110.67 -173.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.69 -30.82 7.8 Favored Glycine 0 C--N 1.363 2.065 0 C-N-CA 125.676 1.608 . . . . 261.8 113.785 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -92.74 143.05 12.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 126.699 2.0 . . . . 162.68 111.514 -178.196 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.67 155.16 29.31 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 128.717 2.807 . . . . 124.5 110.317 -173.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' A' ' 76' ' ' ILE . . . -117.06 -161.67 12.32 Favored Glycine 0 C--N 1.368 2.34 0 CA-C-N 118.783 0.719 . . . . 66.69 111.366 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . 0.251 0.2 OUTLIER -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 119.141 3.015 . . . . 130.64 119.141 -172.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HA ' HG22 ' A' ' 80' ' ' VAL . 9.3 tt -130.03 114.63 16.03 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.245 -1.391 . . . . 173.09 107.245 171.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? . . . . . 0 C--N 1.371 1.521 0 C-N-CA 125.717 1.607 . . . . 234.38 113.738 176.215 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.0 p . . . . . 0 N--CA 1.444 -0.725 0 N-CA-C 118.287 2.699 . . . . 156.32 118.287 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.33 128.26 18.72 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 C-N-CA 132.242 4.217 . . . . 268.83 112.658 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.61 83.88 Favored Glycine 0 C--N 1.358 1.78 0 C-N-CA 128.05 2.738 . . . . 172.39 114.521 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -97.12 140.18 32.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.774 1.629 . . . . 159.43 107.667 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.9 150.06 28.25 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.804 2.149 . . . . 194.78 116.804 -173.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.56 156.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 127.001 2.12 . . . . 166.4 107.559 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.83 125.86 39.76 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.175 2.19 . . . . 114.41 112.701 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.9 171.03 14.06 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 105.827 -1.916 . . . . 105.33 105.827 -169.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -99.05 135.76 39.99 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.295 -1.743 . . . . 93.58 106.295 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.7 105.33 17.31 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 105.038 -2.208 . . . . 129.39 105.038 -176.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.3 t -150.04 15.97 0.84 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 116.788 2.144 . . . . 155.62 116.788 -167.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.24 136.28 4.08 Favored Glycine 0 C--N 1.351 1.364 0 N-CA-C 109.948 -1.261 . . . . 52.87 109.948 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.48 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.436 0.5 OUTLIER -128.33 143.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 119.902 -1.94 . . . . 127.12 112.388 -179.721 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -95.13 126.66 40.61 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.944 -1.502 . . . . 134.55 106.944 170.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -70.54 -25.93 63.33 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.526 1.93 . . . . 145.62 114.637 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -81.36 -31.68 33.27 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.222 2.609 . . . . 115.07 113.27 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -99.55 -14.6 18.96 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.894 -1.129 . . . . 103.56 113.391 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 59.96 40.21 19.18 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.511 2.324 . . . . 168.39 112.919 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.31 33.12 Favored 'General case' 0 N--CA 1.419 -1.983 0 C-N-CA 128.825 2.85 . . . . 71.7 111.505 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.523 ' O ' ' HA2' ' A' ' 37' ' ' GLY 0.422 1.5 pp -96.9 141.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 1 C-N-CA 137.425 6.29 . . . . 171.51 116.912 179.343 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.1 m -110.62 136.59 49.48 Favored 'General case' 0 C--O 1.25 1.113 1 C-N-CA 132.659 4.384 . . . . 75.12 104.411 173.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 76' ' ' ILE . 5.1 mt -129.7 146.93 51.44 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 123.25 1.5 . . . . 127.79 109.436 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 p -106.52 122.21 45.84 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 105.145 -2.168 . . . . 189.29 105.145 169.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 39' ' ' LEU 0.428 0.0 OUTLIER -50.09 -17.57 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 2 N-CA-C 126.079 5.585 . . . . 139.9 126.079 -166.001 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -82.41 -34.39 28.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 131.141 3.776 . . . . 366.01 119.795 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 104.77 -55.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.101 0 C-N-CA 130.092 3.357 . . . . 200.7 107.908 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp . . . . . 0 N--CA 1.445 -0.703 0 N-CA-C 102.099 -3.297 . . . . 433.73 102.099 177.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.468 ' CE2' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--O 1.221 -0.414 0 N-CA-C 114.537 1.31 . . . . 254.42 114.537 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -49.09 -34.24 13.43 Favored 'General case' 0 CA--C 1.59 2.483 0 C-N-CA 127.639 2.376 . . . . 212.44 112.355 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.24 -34.42 55.91 Favored 'General case' 0 C--N 1.371 1.539 1 C-N-CA 137.493 6.317 . . . . 205.99 116.554 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -33.69 65.71 Favored 'General case' 0 C--N 1.35 0.591 1 C-N-CA 133.945 4.898 . . . . 104.03 115.668 -171.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -50.61 -31.14 9.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 C-N-CA 130.977 3.711 . . . . 55.88 115.009 -176.154 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.98 64.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 129.141 2.976 . . . . 50.11 113.645 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -95.69 -39.69 9.76 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.966 1.307 . . . . 125.51 113.872 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.06 125.63 41.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 128.227 2.611 . . . . 70.45 110.407 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 142.85 27.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 130.42 3.488 . . . . 60.0 118.039 -175.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.91 143.94 47.53 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.879 3.272 . . . . 147.71 113.256 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.07 52.78 Favored Glycine 0 C--N 1.375 2.74 0 CA-C-O 123.079 1.377 . . . . 37.09 114.417 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.15 -173.41 2.31 Favored 'General case' 0 CA--C 1.497 -1.075 0 C-N-CA 129.845 3.258 . . . . 38.88 109.197 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -112.41 137.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 128.111 2.564 . . . . 122.0 111.855 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -135.3 145.36 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 103.117 -2.92 . . . . 142.55 103.117 -176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 p -95.65 129.0 42.99 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.003 1.321 . . . . 78.3 109.105 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.25 167.36 29.02 Favored Glycine 0 C--N 1.368 2.323 0 C-N-CA 117.004 -2.522 . . . . 132.34 114.692 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.252 52.1 pttt -120.46 141.62 50.01 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 115.89 1.811 . . . . 178.17 115.89 -178.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.3 127.58 31.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.754 0 N-CA-C 114.119 1.155 . . . . 110.83 114.119 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.426 ' HA ' HG23 ' A' ' 58' ' ' VAL . 12.4 t -129.35 -7.49 4.74 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.026 -1.046 . . . . 113.29 113.424 -178.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.75 154.62 5.47 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.049 -2.204 . . . . 71.12 105.049 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -117.05 141.15 36.68 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-O 121.6 0.714 . . . . 135.68 109.403 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.274 2.6 m-20 -106.18 168.69 8.97 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.094 -1.817 . . . . 141.25 106.094 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -39.13 78.7 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 119.571 -1.956 . . . . 271.48 114.983 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -106.43 0.66 24.98 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 128.863 2.865 . . . . 310.7 110.849 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.38 169.52 19.2 Favored Glycine 0 C--N 1.365 2.143 0 N-CA-C 119.5 2.56 . . . . 87.6 119.5 -158.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.06 24.44 Favored 'General case' 0 N--CA 1.427 -1.618 1 N-CA-C 99.606 -4.22 . . . . 79.41 99.606 168.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.92 120.81 42.71 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.145 -2.168 . . . . 62.25 105.145 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.27 139.95 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 C-N-CA 124.919 1.287 . . . . 93.73 111.29 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.33 115.93 29.48 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.613 1.965 . . . . 111.65 107.971 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -27.61 18.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 127.806 2.442 . . . . 122.61 111.854 -174.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.304 . . 89.31 176.07 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.727 2.411 . . . . 108.78 113.511 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.9 t70 73.23 3.79 4.72 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.114 2.166 . . . . 249.36 111.905 -171.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.99 7.79 56.03 Favored Glycine 0 C--N 1.365 2.157 0 C-N-CA 126.996 2.236 . . . . 261.8 113.234 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.287 0.8 OUTLIER -101.97 138.32 26.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 O-C-N 119.84 -1.976 . . . . 162.68 113.494 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.83 154.59 45.28 Favored 'General case' 0 C--N 1.37 1.482 0 O-C-N 120.122 -1.611 . . . . 124.5 110.768 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -160.67 9.67 Favored Glycine 0 C--N 1.37 2.463 0 CA-C-N 119.712 1.142 . . . . 66.69 113.429 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -105.35 139.16 40.41 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 128.252 2.621 . . . . 130.64 113.493 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.62 132.63 44.2 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 104.25 -2.5 . . . . 173.09 104.25 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 . . . . . 0 C--N 1.358 0.964 0 O-C-N 119.155 -2.216 . . . . 234.38 115.019 -178.728 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 CA--C 1.511 -0.523 0 CA-C-O 123.382 1.563 . . . . 156.32 111.64 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -75.44 122.55 29.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 127.694 2.397 . . . . 268.83 106.689 162.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -3.28 40.83 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 120.977 -1.077 . . . . 172.39 112.219 -168.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.73 143.99 34.04 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.076 1.75 . . . . 159.43 106.618 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -112.35 153.93 26.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 117.68 2.474 . . . . 194.78 117.68 -173.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.8 t -140.24 152.87 21.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 103.76 -2.681 . . . . 166.4 103.76 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -95.62 132.06 41.17 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 107.856 -1.164 . . . . 114.41 107.856 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.93 169.31 15.96 Favored 'General case' 0 CA--C 1.475 -1.907 0 O-C-N 119.75 -1.844 . . . . 105.33 106.028 -168.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -99.04 140.66 32.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.424 -2.065 . . . . 93.58 105.424 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CE1' HG21 ' A' ' 76' ' ' ILE 0.283 0.5 OUTLIER -95.87 102.53 14.33 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.474 -3.158 . . . . 129.39 102.474 -176.318 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.8 p -91.48 -62.15 1.5 Allowed 'General case' 0 C--N 1.384 2.072 0 N-CA-C 116.561 2.06 . . . . 155.62 116.561 -163.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.88 148.32 17.55 Favored Glycine 0 CA--C 1.491 -1.446 0 N-CA-C 106.028 -2.829 . . . . 52.87 106.028 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.605 HG12 HG22 ' A' ' 76' ' ' ILE . 0.7 OUTLIER -122.14 142.16 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.387 -1.338 . . . . 127.12 107.387 -179.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -97.37 128.59 44.32 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 121.229 -0.919 . . . . 134.55 111.111 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.08 -20.19 62.38 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.942 2.097 . . . . 145.62 116.034 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.26 -40.64 23.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.63 1.972 . . . . 115.07 114.594 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -12.49 15.42 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 121.275 -0.89 . . . . 103.56 110.077 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 62.73 49.28 3.83 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.973 2.909 . . . . 168.39 114.942 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.51 163.02 30.66 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 126.958 2.103 . . . . 71.7 112.029 -176.35 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 HG12 ' A' ' 69' ' ' VAL . 1.3 pp -95.41 137.45 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 1 C-N-CA 132.608 4.363 . . . . 171.51 113.046 177.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -113.99 123.1 48.9 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 129.61 3.164 . . . . 75.12 104.358 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -113.67 144.71 42.47 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.665 -1.605 . . . . 127.79 106.665 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -107.58 145.43 33.24 Favored 'General case' 0 C--O 1.205 -1.266 0 N-CA-C 103.343 -2.836 . . . . 189.29 103.343 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.289 11.1 m -49.12 -15.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 1 N-CA-C 125.589 5.403 . . . . 139.9 125.589 -177.44 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -58.97 -21.75 59.1 Favored 'General case' 0 C--N 1.327 -0.389 2 C-N-CA 132.142 4.177 . . . . 366.01 121.958 -146.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.54 -31.5 0.19 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.813 2.445 . . . . 200.7 115.546 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.5 mttp . . . . . 0 C--N 1.348 0.517 0 C-N-CA 131.451 3.9 . . . . 433.73 101.588 176.286 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.679 ' CG ' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.495 -1.136 0 N-CA-C 111.999 0.37 . . . . 254.42 111.999 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -32.62 11.32 Favored 'General case' 0 CA--C 1.592 2.587 0 C-N-CA 128.158 2.583 . . . . 212.44 113.494 -160.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -77.71 -50.32 12.65 Favored 'General case' 0 C--N 1.369 1.45 1 C-N-CA 138.223 6.609 . . . . 205.99 116.456 172.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.595 ' CD1' HG21 ' A' ' 35' ' ' VAL 0.263 0.2 OUTLIER -52.83 -31.87 41.34 Favored 'General case' 0 C--N 1.353 0.742 1 C-N-CA 135.007 5.323 . . . . 104.03 118.959 -177.158 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . 0.479 HG22 ' CE2' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -49.02 -30.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 C-N-CA 130.987 3.715 . . . . 55.88 114.237 -176.138 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.3 72.48 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 129.748 3.219 . . . . 50.11 115.45 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 tp -96.0 -40.55 9.2 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 119.589 3.181 . . . . 125.51 119.589 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -127.61 158.04 38.59 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 119.724 -1.86 . . . . 70.45 112.534 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.26 147.55 26.92 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.36 1.464 . . . . 60.0 113.49 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -73.36 126.03 29.22 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 119.661 -1.899 . . . . 147.71 110.667 169.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -4.77 41.27 Favored Glycine 0 C--N 1.364 2.092 0 C-N-CA 125.021 1.295 . . . . 37.09 113.223 -164.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.29 164.99 12.07 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 125.608 1.563 . . . . 38.88 108.58 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.25 0.1 OUTLIER -116.75 136.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 127.264 2.225 . . . . 122.0 112.707 -174.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.0 165.76 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.3 0 N-CA-C 104.802 -2.296 . . . . 142.55 104.802 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.8 p -111.55 128.1 55.92 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 120.775 -1.203 . . . . 78.3 108.052 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.83 164.36 17.07 Favored Glycine 0 CA--C 1.483 -1.942 0 C-N-CA 121.114 -0.565 . . . . 132.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.34 135.89 53.53 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.866 2.066 . . . . 178.17 115.248 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.568 HG13 ' HA ' ' A' ' 58' ' ' VAL . 8.5 p -66.81 131.45 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 117.031 2.234 . . . . 110.83 117.031 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -127.4 -44.64 1.54 Allowed 'General case' 0 C--N 1.368 1.395 0 N-CA-C 118.174 2.657 . . . . 113.29 118.174 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.27 7.81 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.827 -2.286 . . . . 71.12 104.827 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.19 146.98 20.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 116.868 2.173 . . . . 135.68 116.868 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.06 169.91 8.22 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 128.009 2.524 . . . . 141.25 106.401 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.56 45.61 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.996 2.221 . . . . 271.48 116.996 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 0.19 23.02 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 128.097 2.559 . . . . 310.7 111.102 169.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.91 151.78 16.88 Favored Glycine 0 C--N 1.368 2.346 0 C-N-CA 126.621 2.058 . . . . 87.6 114.329 -165.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -142.46 137.61 30.43 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 101.173 -3.639 . . . . 79.41 101.173 167.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.23 55.5 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.845 -1.909 . . . . 62.25 105.845 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.99 137.73 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 106.403 -1.702 . . . . 93.73 106.403 -172.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -92.64 124.76 36.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.301 1.84 . . . . 111.65 107.7 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 78' ' ' LEU . 1.4 mm? -103.38 -2.35 27.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 128.812 2.845 . . . . 122.61 115.004 -167.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.266 . . 75.2 140.58 0.07 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 118.917 2.932 . . . . 108.78 118.917 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 90.67 9.54 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 129.582 3.153 . . . . 249.36 108.347 -172.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.92 35.21 6.47 Favored Glycine 0 C--N 1.365 2.19 0 C-N-CA 126.248 1.88 . . . . 261.8 110.996 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . 0.595 HG21 ' CD1' ' A' ' 5' ' ' TRP . 21.2 t -110.63 145.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 C-N-CA 128.183 2.593 . . . . 162.68 112.208 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -127.65 154.95 44.66 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 126.977 2.111 . . . . 124.5 112.236 177.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.85 -152.35 6.19 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.18 -1.568 . . . . 66.69 109.18 165.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -111.11 138.73 47.17 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 119.165 3.024 . . . . 130.64 119.165 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 8.1 tt -114.38 110.02 19.24 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 106.337 -1.727 . . . . 173.09 106.337 168.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? . . . . . 0 C--N 1.364 1.225 0 C-N-CA 124.967 1.307 . . . . 234.38 112.568 -177.662 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m . . . . . 0 N--CA 1.466 0.344 0 N-CA-C 106.715 -1.587 . . . . 156.32 106.715 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.568 ' HA ' HG13 ' A' ' 19' ' ' VAL . 60.3 t -60.51 125.66 17.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.36 2.264 . . . . 268.83 114.873 -175.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.19 -3.62 64.34 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 124.778 1.18 . . . . 172.39 113.868 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.43 129.68 34.77 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 126.302 1.841 . . . . 159.43 108.451 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -95.72 153.55 17.68 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 119.527 3.158 . . . . 194.78 119.527 -168.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.7 162.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.155 2.182 . . . . 166.4 107.153 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -94.86 132.77 39.31 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.244 1.818 . . . . 114.41 109.121 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.77 168.93 18.14 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.872 -1.899 . . . . 105.33 105.872 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -101.34 131.25 47.5 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.932 1.693 . . . . 93.58 107.075 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.63 104.93 16.96 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.576 -3.12 . . . . 129.39 102.576 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.1 m -108.92 -50.45 3.01 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 114.42 1.267 . . . . 155.62 114.42 -160.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.86 173.96 41.49 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.369 -0.832 . . . . 52.87 112.305 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.443 HG11 ' CE2' ' A' ' 2' ' ' PHE 0.351 0.3 OUTLIER -126.19 141.89 44.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.199 0 C-N-CA 127.224 2.209 . . . . 127.12 110.33 179.42 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -95.04 128.15 41.65 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.154 -1.054 . . . . 134.55 108.154 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.4 mtt-85 -70.27 -21.85 62.92 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 128.455 2.702 . . . . 145.62 116.573 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.02 -35.66 31.62 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.882 2.073 . . . . 115.07 112.969 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.15 -14.42 15.39 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 121.532 -0.73 . . . . 103.56 112.969 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 54.22 42.1 31.67 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.877 3.271 . . . . 168.39 114.677 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.03 165.65 24.86 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 130.005 3.322 . . . . 71.7 109.442 -176.232 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.679 HG23 ' CG ' ' A' ' 2' ' ' PHE 0.253 16.8 pt -93.9 139.36 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.81 1 C-N-CA 132.039 4.136 . . . . 171.51 114.353 -176.822 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -110.9 115.81 30.15 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 131.465 3.906 . . . . 75.12 100.991 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.4 HD22 HD11 ' A' ' 31' ' ' LEU . 3.2 pp -138.39 140.78 39.52 Favored 'General case' 0 CA--C 1.458 -2.563 0 N-CA-C 101.839 -3.393 . . . . 127.79 101.839 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.31 144.55 32.84 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 105.999 -1.852 . . . . 189.29 105.999 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.439 0.0 OUTLIER -51.13 -15.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 1 N-CA-C 123.507 4.632 . . . . 139.9 123.507 178.021 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.13 -42.38 21.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 131.166 3.786 . . . . 366.01 119.437 -157.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 70.68 -45.47 0.6 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.795 2.438 . . . . 200.7 115.95 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 pttp . . . . . 0 N--CA 1.447 -0.623 0 C-N-CA 127.372 2.269 . . . . 433.73 108.299 178.837 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 76' ' ' ILE . 35.4 t80 . . . . . 0 CA--C 1.507 -0.696 0 CA-C-O 118.199 -0.905 . . . . 254.42 112.381 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -50.49 -43.61 55.67 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.646 1.578 . . . . 212.44 114.394 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -79.23 -52.76 7.71 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.385 3.474 . . . . 205.99 115.73 164.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 2' ' ' PHE 0.262 60.4 t90 -54.77 -32.93 60.71 Favored 'General case' 0 C--N 1.373 1.6 1 C-N-CA 133.818 4.847 . . . . 104.03 116.228 -176.065 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.21 -30.85 7.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 C-N-CA 131.49 3.916 . . . . 55.88 114.836 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.99 71.69 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 125.954 1.702 . . . . 50.11 113.565 172.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.8 tp -95.64 -40.29 9.48 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 114.24 1.2 . . . . 125.51 114.24 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.23 126.37 42.62 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 125.516 1.526 . . . . 70.45 114.879 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.37 158.19 17.06 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 131.426 3.89 . . . . 60.0 112.178 175.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.13 145.3 7.91 Favored 'General case' 0 C--N 1.366 1.287 1 C-N-CA 132.263 4.225 . . . . 147.71 117.601 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.71 40.32 Favored Glycine 0 C--N 1.371 2.496 0 C-N-CA 125.979 1.752 . . . . 37.09 112.295 -167.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.3 164.86 13.71 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 127.959 2.504 . . . . 38.88 109.086 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.312 2.9 pt -116.6 137.74 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 C-N-CA 126.691 1.996 . . . . 122.0 112.983 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.85 149.89 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.478 0 N-CA-C 104.485 -2.413 . . . . 142.55 104.485 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.2 m -107.17 128.2 54.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 102.631 -3.1 . . . . 78.3 102.631 167.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.14 168.08 30.72 Favored Glycine 0 CA--C 1.479 -2.174 0 C-N-CA 116.621 -2.704 . . . . 132.34 114.409 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -110.06 137.73 47.42 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 117.881 2.548 . . . . 178.17 117.881 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.443 HG13 ' HB1' ' A' ' 27' ' ' ALA . 21.8 t -68.5 129.05 32.85 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 114.003 -1.453 . . . . 110.83 114.388 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.433 ' HA ' HG23 ' A' ' 58' ' ' VAL . 24.8 p -133.15 -7.93 3.01 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.105 1.762 . . . . 113.29 112.472 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 28' ' ' THR . . . -160.66 154.62 22.77 Favored 'General case' 0 C--N 1.364 1.215 0 N-CA-C 104.14 -2.541 . . . . 71.12 104.14 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.61 142.33 32.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.413 1.085 . . . . 135.68 113.906 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.55 166.9 10.22 Favored 'General case' 0 C--N 1.37 1.489 0 N-CA-C 104.621 -2.363 . . . . 141.25 104.621 171.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.98 82.14 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.127 -2.233 . . . . 271.48 114.731 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -106.13 1.61 26.39 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.148 2.979 . . . . 310.7 111.644 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.35 170.93 20.19 Favored Glycine 0 C--N 1.371 2.478 0 C-N-CA 126.009 1.766 . . . . 87.6 117.37 -158.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.33 . . -141.81 137.05 31.23 Favored 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 102.445 -3.169 . . . . 79.41 102.445 168.441 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . 0.438 ' HB ' ' HB3' ' A' ' 21' ' ' ALA . 27.3 m -99.89 118.14 35.69 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.307 2.243 . . . . 62.25 104.988 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.31 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 C-N-CA 125.536 1.534 . . . . 93.73 110.567 -168.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 10.6 tp10 -94.85 123.47 38.33 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 122.959 1.361 . . . . 111.65 110.199 173.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 HD11 ' A' ' 76' ' ' ILE . 1.9 mt -117.23 -19.83 9.47 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 128.279 2.632 . . . . 122.61 109.381 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 81.44 167.2 0.14 Allowed 'General case' 0 C--N 1.371 1.522 0 N-CA-C 118.9 2.926 . . . . 108.78 118.9 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t70 84.53 20.83 0.13 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 130.033 3.333 . . . . 249.36 109.04 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.41 6.47 Favored Glycine 0 C--N 1.371 2.516 0 C-N-CA 125.942 1.734 . . . . 261.8 114.209 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -89.42 137.17 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 128.195 2.598 . . . . 162.68 113.919 -175.394 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 24.7 mt-10 -127.2 154.64 44.57 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.135 2.574 . . . . 124.5 111.667 -173.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.79 -161.17 10.69 Favored Glycine 0 N--CA 1.486 1.978 0 CA-C-O 118.526 -1.152 . . . . 66.69 115.723 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 18.7 m-85 -106.81 115.42 30.16 Favored 'General case' 0 C--N 1.379 1.854 0 C-N-CA 126.069 1.748 . . . . 130.64 114.896 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.627 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.9 tm? -138.64 107.64 6.01 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 106.708 -1.59 . . . . 173.09 106.708 170.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HD2' ' H ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--N 1.352 0.703 0 C-N-CA 128.418 2.687 . . . . 234.38 105.638 160.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m . . . . . 0 CA--C 1.497 -1.064 0 N-CA-C 106.353 -1.721 . . . . 156.32 106.353 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -75.65 122.35 29.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 126.566 1.946 . . . . 268.83 107.176 168.46 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.44 -2.89 42.95 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 121.164 -0.96 . . . . 172.39 112.64 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -102.68 141.5 35.39 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 105.899 -1.889 . . . . 159.43 105.899 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -119.0 133.08 56.05 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.343 1.457 . . . . 194.78 112.96 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 63' ' ' GLU 0.251 5.0 t -140.54 164.83 21.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.209 0 C-N-CA 129.532 3.133 . . . . 166.4 108.2 -174.727 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.512 ' H ' HG12 ' A' ' 62' ' ' VAL . 29.4 tt0 -94.3 130.63 40.51 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 128.821 2.849 . . . . 114.41 117.745 -175.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . 0.588 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . -135.9 170.37 16.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.578 -1.326 . . . . 105.33 108.287 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -99.93 133.26 44.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 127.569 2.348 . . . . 93.58 108.864 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.81 108.99 21.01 Favored 'General case' 0 C--N 1.366 1.312 0 N-CA-C 105.478 -2.045 . . . . 129.39 105.478 -173.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 t -148.59 5.29 0.7 Allowed 'General case' 0 C--N 1.38 1.914 0 N-CA-C 116.981 2.215 . . . . 155.62 116.981 -161.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 135.68 3.78 Favored Glycine 0 C--N 1.349 1.292 0 N-CA-C 109.496 -1.442 . . . . 52.87 109.496 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.46 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.341 1.2 m -127.67 142.6 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 120.031 -1.864 . . . . 127.12 109.727 178.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -95.06 126.93 40.73 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.537 -0.912 . . . . 134.55 108.537 175.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -70.56 -17.36 62.92 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.485 1.914 . . . . 145.62 115.834 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -81.35 -34.4 31.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.043 2.537 . . . . 115.07 113.154 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.22 -14.89 15.0 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 120.553 -1.342 . . . . 103.56 112.808 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 56.58 42.65 26.87 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 129.374 3.07 . . . . 168.39 112.615 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.56 162.74 31.1 Favored 'General case' 0 N--CA 1.417 -2.077 0 C-N-CA 128.773 2.829 . . . . 71.7 108.878 -173.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.573 HG23 ' CD2' ' A' ' 2' ' ' PHE 0.317 0.5 OUTLIER -95.54 141.25 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 1 C-N-CA 134.8 5.24 . . . . 171.51 117.227 -172.834 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.9 m -113.16 129.55 56.48 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 131.364 3.866 . . . . 75.12 102.695 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -124.76 145.11 49.9 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.33 -1.359 . . . . 127.79 107.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 m -107.12 145.01 33.0 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 104.232 -2.507 . . . . 189.29 104.232 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.426 ' O ' HG22 ' A' ' 80' ' ' VAL . 8.7 p -47.96 -16.21 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.427 2 N-CA-C 123.269 4.544 . . . . 139.9 123.269 -172.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -62.41 -42.28 99.32 Favored 'General case' 0 C--N 1.319 -0.734 2 C-N-CA 133.175 4.59 . . . . 366.01 122.88 -148.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 72.93 -52.67 0.71 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.202 2.201 . . . . 200.7 113.852 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 pttt . . . . . 0 C--N 1.351 0.673 0 C-N-CA 126.833 2.053 . . . . 433.73 108.947 177.639 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.458 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.528 0 CA-C-O 121.594 0.711 . . . . 254.42 109.861 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -33.21 14.75 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 129.042 2.937 . . . . 212.44 112.396 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -78.41 -53.04 7.69 Favored 'General case' 0 C--N 1.378 1.813 1 C-N-CA 132.484 4.314 . . . . 205.99 115.417 166.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -33.53 63.86 Favored 'General case' 0 C--N 1.362 1.137 1 C-N-CA 135.028 5.331 . . . . 104.03 116.274 -178.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -49.85 -30.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 1 C-N-CA 131.848 4.059 . . . . 55.88 114.823 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.27 -21.2 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.011 2.524 . . . . 50.11 114.925 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.0 mt -95.48 -39.75 9.82 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 117.076 2.25 . . . . 125.51 117.076 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.78 155.9 43.32 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.086 2.154 . . . . 70.45 115.001 -171.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -106.17 145.9 30.93 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.508 1.523 . . . . 60.0 113.214 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -72.45 145.73 47.39 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 131.646 3.978 . . . . 147.71 114.747 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.28 -3.85 40.61 Favored Glycine 0 C--N 1.374 2.689 0 C-N-CA 124.833 1.206 . . . . 37.09 113.184 -168.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.97 133.12 42.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 130.048 3.339 . . . . 38.88 105.792 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mm -89.72 133.92 30.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 125.573 1.549 . . . . 122.0 109.427 -172.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.01 149.79 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.404 0 N-CA-C 102.593 -3.114 . . . . 142.55 102.593 -168.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.32 9.0 t -110.05 129.89 55.62 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 123.175 1.464 . . . . 78.3 111.609 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.5 170.54 18.3 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 114.043 -1.435 . . . . 132.34 112.343 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 22.0 pttm -110.7 144.32 39.82 Favored 'General case' 0 CA--C 1.479 -1.779 0 N-CA-C 114.573 1.323 . . . . 178.17 114.573 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . 0.274 21.5 t -84.68 124.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 124.445 1.098 . . . . 110.83 110.946 -177.718 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' THR . . . . . 0.521 ' HA ' HG23 ' A' ' 58' ' ' VAL . 64.6 p -119.0 -35.48 3.63 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 116.987 2.217 . . . . 113.29 116.987 -166.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.17 148.86 4.95 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 103.289 -2.856 . . . . 71.12 103.289 -173.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.4 m -117.36 146.78 21.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 114.964 1.468 . . . . 135.68 114.964 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 169.21 8.61 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.908 2.083 . . . . 141.25 107.318 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.05 65.47 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.048 2.139 . . . . 271.48 115.8 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -106.7 0.05 23.98 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 128.282 2.633 . . . . 310.7 110.887 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.72 162.87 16.34 Favored Glycine 0 CA--C 1.476 -2.355 0 CA-C-O 124.349 2.083 . . . . 87.6 117.766 -154.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -141.34 131.96 25.54 Favored 'General case' 0 N--CA 1.424 -1.736 1 N-CA-C 98.385 -4.672 . . . . 79.41 98.385 170.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.72 129.07 54.67 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 104.082 -2.562 . . . . 62.25 104.082 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -114.23 144.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 C-N-CA 125.591 1.556 . . . . 93.73 108.473 -171.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 82.7 tt0 -103.92 118.03 35.72 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.471 1.509 . . . . 111.65 108.373 173.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.29 -20.58 28.18 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 128.626 2.77 . . . . 122.61 112.0 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 80.03 165.54 0.18 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.659 1.984 . . . . 108.78 115.364 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 73.92 7.0 4.89 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.961 2.104 . . . . 249.36 111.322 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.66 20.32 Favored Glycine 0 C--N 1.366 2.202 0 C-N-CA 126.943 2.211 . . . . 261.8 114.181 -174.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -103.34 134.08 45.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.663 1.585 . . . . 162.68 113.149 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 34.3 mt-10 -127.71 154.3 45.5 Favored 'General case' 0 C--N 1.372 1.558 0 O-C-N 119.762 -1.836 . . . . 124.5 111.075 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -160.83 -154.26 7.32 Favored Glycine 0 C--N 1.367 2.29 0 N-CA-C 108.158 -1.977 . . . . 66.69 108.158 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.66 139.06 41.7 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 118.958 2.948 . . . . 130.64 118.958 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.572 HD21 HG13 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -124.89 127.31 46.91 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 120.02 -1.675 . . . . 173.09 108.88 172.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ARG . . . . . 0.433 ' H ' ' CG2' ' A' ' 80' ' ' VAL . 3.7 mpt_? . . . . . 0 C--N 1.365 1.279 0 O-C-N 119.545 -1.972 . . . . 234.38 112.712 -179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m . . . . . 0 CA--C 1.506 -0.735 0 CA-C-O 121.747 0.784 . . . . 156.32 109.35 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 20' ' ' THR . 4.3 p -74.61 121.66 26.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 120.737 -1.227 . . . . 268.83 108.828 169.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.64 40.3 Favored Glycine 0 C--N 1.361 1.966 0 O-C-N 121.408 -0.808 . . . . 172.39 113.132 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -95.74 133.28 40.03 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.359 1.464 . . . . 159.43 108.671 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -96.25 148.96 22.19 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.512 2.041 . . . . 194.78 116.512 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.37 158.39 28.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.058 -1.46 . . . . 166.4 107.058 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -105.06 127.95 53.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.142 1.777 . . . . 114.41 108.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.84 168.15 20.28 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 119.81 -1.806 . . . . 105.33 108.418 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HG2' HG23 ' A' ' 67' ' ' THR . 31.8 ttpt -100.92 117.43 34.97 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 107.461 -1.311 . . . . 93.58 107.461 -174.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.19 104.8 16.85 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 104.902 -2.258 . . . . 129.39 104.902 -170.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -129.17 -45.45 1.24 Allowed 'General case' 0 C--N 1.381 1.956 0 N-CA-C 117.375 2.361 . . . . 155.62 117.375 -161.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.44 162.99 24.09 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 119.48 1.036 . . . . 52.87 112.657 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.259 0.2 OUTLIER -127.45 141.8 45.36 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 C-N-CA 127.559 2.344 . . . . 127.12 106.644 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.19 126.94 35.69 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.327 -2.101 . . . . 134.55 105.327 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -70.04 -16.65 63.18 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.265 1.826 . . . . 145.62 115.859 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.214 2.206 . . . . 115.07 112.782 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.25 -14.63 15.3 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 121.257 -0.902 . . . . 103.56 112.326 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 54.45 42.44 31.37 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.566 3.547 . . . . 168.39 114.215 -173.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.51 163.87 28.43 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.385 2.274 . . . . 71.7 105.568 -173.138 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pp -93.16 138.45 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 C-N-CA 131.878 4.071 . . . . 171.51 114.755 -169.377 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -113.51 116.84 30.2 Favored 'General case' 0 N--CA 1.434 -1.243 1 C-N-CA 133.483 4.713 . . . . 75.12 103.424 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.411 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -144.53 134.06 23.36 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 103.562 -2.755 . . . . 127.79 103.562 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 m -107.62 145.21 33.59 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 106.869 -1.53 . . . . 189.29 106.869 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.572 HG13 HD21 ' A' ' 39' ' ' LEU 0.388 0.2 OUTLIER -48.91 -14.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 1 N-CA-C 123.42 4.6 . . . . 139.9 123.42 -176.987 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -80.75 -23.47 39.37 Favored 'General case' 0 C--N 1.323 -0.58 1 N-CA-C 123.001 4.445 . . . . 366.01 123.001 -150.657 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 71.08 -55.33 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 117.83 2.53 . . . . 200.7 117.83 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 tptp . . . . . 0 C--N 1.355 0.813 0 O-C-N 120.5 -1.375 . . . . 433.73 110.295 -177.952 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.4 ' HB2' ' H ' ' A' ' 2' ' ' PHE . 0.0 OUTLIER . . . . . 0 N--CA 1.484 1.236 0 CA-C-O 121.82 0.819 . . . . 107.41 110.835 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.591 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 30.9 t80 -55.09 -35.26 64.4 Favored 'General case' 0 N--CA 1.437 -1.082 1 C-N-CA 134.208 5.003 . . . . 254.42 115.622 173.753 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -52.13 -40.17 60.96 Favored 'General case' 0 CA--C 1.569 1.695 0 C-N-CA 127.929 2.492 . . . . 212.44 114.026 -171.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.29 -42.58 36.41 Favored 'General case' 0 C--N 1.365 1.282 1 C-N-CA 135.09 5.356 . . . . 205.99 114.249 173.252 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -66.18 -33.7 76.36 Favored 'General case' 0 N--CA 1.44 -0.947 1 C-N-CA 134.599 5.16 . . . . 104.03 116.866 -172.27 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.481 HG22 ' CZ ' ' A' ' 2' ' ' PHE . 0.9 OUTLIER -49.05 -31.27 4.13 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 128.804 2.842 . . . . 55.88 114.402 -176.655 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.16 -37.82 66.42 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 129.431 3.092 . . . . 50.11 114.709 174.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 mt -96.78 -39.35 9.48 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 117.532 2.419 . . . . 125.51 117.532 176.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 9.0 t-20 -126.24 127.78 46.18 Favored 'General case' 0 C--N 1.359 0.988 0 C-N-CA 129.067 2.947 . . . . 70.45 113.331 -167.142 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 23.2 pttm -106.63 156.73 18.3 Favored 'General case' 0 C--N 1.354 0.792 0 C-N-CA 127.929 2.492 . . . . 60.0 115.926 -175.68 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.1 mtpt -64.73 146.61 54.52 Favored 'General case' 0 C--N 1.363 1.159 1 C-N-CA 132.703 4.401 . . . . 147.71 115.068 176.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.99 -4.23 38.73 Favored Glycine 0 C--N 1.368 2.317 0 CA-C-O 123.312 1.506 . . . . 37.09 114.465 -174.547 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -93.26 171.68 8.77 Favored 'General case' 0 CA--C 1.505 -0.756 0 C-N-CA 130.923 3.689 . . . . 38.88 108.188 -178.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.253 0.2 OUTLIER -116.71 135.28 57.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.532 0 O-C-N 120.268 -1.52 . . . . 122.0 111.859 -177.737 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 25.9 t -135.9 145.57 30.94 Favored 'Isoleucine or valine' 0 C--N 1.365 1.254 0 N-CA-C 103.694 -2.706 . . . . 142.55 103.694 -170.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.9 p -97.36 127.82 43.65 Favored 'General case' 0 CA--C 1.5 -0.972 0 C-N-CA 123.408 0.683 . . . . 78.3 110.298 179.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.84 160.62 21.15 Favored Glycine 0 CA--C 1.477 -2.342 0 N-CA-C 110.891 -0.884 . . . . 132.34 110.891 175.56 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.272 16.3 pttp -110.9 130.89 55.45 Favored 'General case' 0 CA--C 1.485 -1.546 0 N-CA-C 117.164 2.283 . . . . 178.17 117.164 -178.247 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.8 t -65.43 137.1 25.59 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 124.179 0.992 . . . . 110.83 111.827 -175.666 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.417 HG21 ' HB2' ' A' ' 30' ' ' GLU . 6.6 t -160.42 -30.47 0.06 Allowed 'General case' 0 N--CA 1.473 0.68 0 O-C-N 119.199 -2.188 . . . . 113.29 116.663 -171.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.0 154.16 35.46 Favored 'General case' 0 C--N 1.367 1.326 0 CA-C-N 119.879 1.218 . . . . 71.12 108.323 -171.439 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.3 m -117.08 146.0 22.09 Favored 'Isoleucine or valine' 0 C--N 1.357 0.918 0 N-CA-C 117.695 2.48 . . . . 135.68 117.695 -174.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.308 2.1 m-20 -105.67 169.47 8.45 Favored 'General case' 0 C--N 1.37 1.485 0 C-N-CA 129.025 2.93 . . . . 141.25 105.011 172.155 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.28 -40.21 89.63 Favored 'General case' 0 C--N 1.359 0.991 0 O-C-N 118.853 -2.405 . . . . 271.48 115.255 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -106.97 0.89 24.05 Favored 'General case' 0 C--N 1.35 0.607 0 C-N-CA 129.646 3.178 . . . . 310.7 111.172 173.462 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.66 169.57 20.77 Favored Glycine 0 CA--C 1.475 -2.437 0 CA-C-O 123.925 1.847 . . . . 87.6 117.443 -156.046 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -134.69 131.52 37.78 Favored 'General case' 0 N--CA 1.43 -1.456 0 N-CA-C 102.817 -3.031 . . . . 79.41 102.817 167.844 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -104.8 114.87 29.35 Favored 'General case' 0 C--N 1.351 0.672 0 N-CA-C 102.805 -3.035 . . . . 62.25 102.805 174.145 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . 0.263 7.9 p -102.72 133.23 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.535 0 C-N-CA 126.935 2.094 . . . . 93.73 106.483 -167.226 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.417 ' HB2' HG21 ' A' ' 20' ' ' THR 0.28 15.0 tp10 -83.65 122.55 28.76 Favored 'General case' 0 C--N 1.366 1.302 0 CA-C-O 123.5 1.619 . . . . 111.65 112.672 -173.578 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . 0.328 1.1 tm? -123.04 2.88 9.34 Favored 'General case' 0 N--CA 1.437 -1.119 0 CA-C-N 112.154 -2.294 . . . . 122.61 111.818 -164.016 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.275 . . 78.16 155.14 0.15 Allowed 'General case' 0 C--N 1.358 0.956 0 N-CA-C 120.856 3.65 . . . . 108.78 120.856 169.491 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 8.0 t70 73.11 23.83 2.6 Favored 'General case' 0 C--N 1.364 1.226 0 C-N-CA 128.787 2.835 . . . . 249.36 109.542 -171.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 105.19 -38.6 3.21 Favored Glycine 0 C--N 1.36 1.879 0 C-N-CA 126.001 1.763 . . . . 261.8 114.524 179.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -89.03 146.52 6.07 Favored 'Isoleucine or valine' 0 C--N 1.358 0.974 0 N-CA-C 116.875 2.176 . . . . 162.68 116.875 -171.221 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -106.9 154.66 20.72 Favored 'General case' 0 CA--C 1.504 -0.813 0 C-N-CA 128.967 2.907 . . . . 124.5 113.635 -177.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -108.84 -139.7 8.79 Favored Glycine 0 C--N 1.362 1.991 0 N-CA-C 109.651 -1.379 . . . . 66.69 109.651 172.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 21.1 t80 -128.52 138.13 52.11 Favored 'General case' 0 C--N 1.357 0.893 0 O-C-N 119.377 -2.249 . . . . 130.64 112.103 -179.203 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.7 tt -133.36 131.21 39.81 Favored 'General case' 0 N--CA 1.446 -0.661 0 O-C-N 120.135 -1.603 . . . . 173.09 107.114 173.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.458 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 49.4 mtp180 -80.58 156.43 26.45 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 128.701 2.8 . . . . 234.38 112.834 179.079 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.12 -25.41 8.82 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 129.723 3.209 . . . . 67.0 118.265 -178.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.7 m -67.92 -18.79 64.88 Favored 'General case' 0 C--N 1.362 1.131 0 C-N-CA 129.282 3.033 . . . . 92.06 114.625 174.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . 0.268 47.0 mm-40 73.0 -53.08 0.71 Allowed 'General case' 0 C--N 1.368 1.375 0 C-N-CA 128.125 2.57 . . . . 241.64 115.956 178.259 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 176.38 -93.61 0.0 OUTLIER 'General case' 0 C--N 1.352 0.683 0 C-N-CA 128.243 2.617 . . . . 115.06 108.39 173.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.272 68.1 p 89.44 -112.72 0.01 OUTLIER 'General case' 0 N--CA 1.488 1.449 0 C-N-CA 127.078 2.151 . . . . 89.7 108.53 -174.257 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 6.6 tpp180 173.13 -35.98 0.0 OUTLIER 'General case' 0 C--N 1.351 0.635 0 C-N-CA 129.788 3.235 . . . . 131.17 106.682 -176.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -136.89 -80.83 0.38 Allowed 'General case' 0 C--N 1.36 1.051 0 O-C-N 121.108 -0.995 . . . . 115.97 111.022 -179.376 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 14.8 ptm180 -154.15 159.14 41.3 Favored 'General case' 0 C--N 1.351 0.674 0 O-C-N 120.607 -1.308 . . . . 295.16 108.234 -177.577 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.482 HG23 ' H ' ' A' ' 50' ' ' GLU 0.427 17.0 m 65.75 -106.12 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.365 1.254 1 C-N-CA 133.113 4.565 . . . . 224.7 111.343 -177.645 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.482 ' H ' HG23 ' A' ' 49' ' ' VAL . 11.5 mp0 -117.25 128.44 55.08 Favored 'General case' 0 CA--C 1.544 0.729 0 N-CA-C 106.637 -1.616 . . . . 111.84 106.637 172.098 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.439 36.9 m-20 -122.4 -112.6 0.32 Allowed 'General case' 0 CA--C 1.489 -1.395 1 N-CA-C 99.901 -4.111 . . . . 210.5 99.901 163.833 . . . . . . . . 3 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.534 ' HB1' HD23 ' A' ' 56' ' ' LEU . . . -48.43 -12.22 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.007 2.523 . . . . 72.77 117.649 165.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 5.8 m -60.53 -26.07 66.6 Favored 'General case' 0 C--N 1.375 1.694 0 C-N-CA 130.044 3.338 . . . . 87.74 114.12 -174.191 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 16.6 mt -81.14 -20.67 40.85 Favored 'General case' 0 C--N 1.354 0.763 0 C-N-CA 126.681 1.992 . . . . 161.64 115.047 171.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.405 4.9 p -120.95 17.64 6.09 Favored 'Isoleucine or valine' 0 CA--C 1.486 -1.502 0 C-N-CA 125.743 1.617 . . . . 155.98 114.765 -172.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.534 HD23 ' HB1' ' A' ' 52' ' ' ALA . 0.9 OUTLIER -133.08 132.71 42.05 Favored 'General case' 0 N--CA 1.43 -1.463 0 N-CA-C 102.868 -3.012 . . . . 155.03 102.868 162.033 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.2 t -111.9 164.37 13.17 Favored 'General case' 0 CA--C 1.505 -0.779 1 C-N-CA 134.638 5.175 . . . . 156.32 112.476 -175.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 8.2 p -61.1 122.5 11.79 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 C-N-CA 126.313 1.845 . . . . 268.83 109.958 166.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.9 -3.93 62.81 Favored Glycine 0 C--N 1.353 1.519 0 C-N-CA 129.111 3.243 . . . . 172.39 114.093 -169.355 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -108.7 149.18 29.35 Favored 'General case' 0 C--N 1.368 1.395 0 O-C-N 120.335 -1.685 . . . . 159.43 107.349 179.858 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -107.65 152.25 24.56 Favored 'General case' 0 C--N 1.356 0.861 0 N-CA-C 119.159 3.022 . . . . 194.78 119.159 -170.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 15.5 m -139.62 160.33 27.62 Favored 'Isoleucine or valine' 0 C--N 1.357 0.917 0 C-N-CA 126.768 2.027 . . . . 166.4 107.521 179.284 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -95.25 128.88 42.44 Favored 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.267 1.827 . . . . 114.41 111.875 -179.405 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.61 170.3 14.94 Favored 'General case' 0 CA--C 1.478 -1.804 0 N-CA-C 103.06 -2.941 . . . . 105.33 103.06 -172.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 1.5 tmtm? -98.48 141.02 31.86 Favored 'General case' 0 CA--C 1.496 -1.102 0 N-CA-C 104.906 -2.257 . . . . 93.58 104.906 -170.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -96.0 102.32 14.09 Favored 'General case' 0 C--N 1.358 0.94 0 N-CA-C 103.735 -2.691 . . . . 129.39 103.735 -174.873 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -85.28 -66.64 0.88 Allowed 'General case' 0 C--N 1.372 1.58 0 CA-C-N 113.879 -1.509 . . . . 155.62 114.359 -165.616 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.5 165.98 38.18 Favored Glycine 0 C--N 1.352 1.453 0 C-N-CA 125.963 1.744 . . . . 52.87 110.279 -176.443 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.591 HG11 ' CZ ' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -122.09 142.4 38.62 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.814 0 C-N-CA 127.644 2.378 . . . . 127.12 108.297 -179.278 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -94.42 127.88 40.61 Favored 'General case' 0 C--N 1.352 0.696 0 N-CA-C 106.441 -1.689 . . . . 134.55 106.441 173.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -67.23 -32.15 72.99 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 127.759 2.423 . . . . 145.62 115.835 -173.21 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -78.92 -29.39 44.17 Favored 'General case' 0 C--N 1.358 0.952 0 C-N-CA 127.584 2.354 . . . . 115.07 113.414 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -102.68 -13.78 16.95 Favored 'General case' 0 C--N 1.362 1.147 0 O-C-N 121.529 -0.732 . . . . 103.56 111.809 -178.106 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 65.7 mtm-85 54.99 33.08 19.44 Favored 'General case' 0 C--N 1.37 1.477 1 C-N-CA 131.84 4.056 . . . . 168.39 116.79 179.26 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -134.06 164.49 27.2 Favored 'General case' 0 N--CA 1.419 -2.018 0 C-N-CA 129.83 3.252 . . . . 71.7 109.547 -174.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.42 HG23 ' CG ' ' A' ' 2' ' ' PHE . 1.2 pp -94.47 140.54 16.48 Favored 'Isoleucine or valine' 0 CA--C 1.517 -0.321 1 C-N-CA 135.247 5.419 . . . . 171.51 114.259 -174.536 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.4 p -109.03 123.81 49.74 Favored 'General case' 0 N--CA 1.443 -0.782 0 C-N-CA 129.378 3.071 . . . . 75.12 105.725 175.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 83.8 mt -110.86 133.54 53.28 Favored 'General case' 0 N--CA 1.448 -0.568 0 C-N-CA 126.63 1.972 . . . . 127.79 108.445 -178.582 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 35.6 t -105.89 123.27 47.7 Favored 'General case' 0 C--O 1.208 -1.102 0 N-CA-C 104.007 -2.59 . . . . 189.29 104.007 170.695 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.458 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.376 4.4 m -49.19 -16.94 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.485 1.281 1 N-CA-C 126.835 5.865 . . . . 139.9 126.835 -165.284 . . . . . . . . 4 3 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -81.49 -42.35 20.4 Favored 'General case' 0 C--N 1.325 -0.49 0 N-CA-C 121.231 3.789 . . . . 366.01 121.231 -154.161 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.25 . . 115.78 -73.34 0.0 OUTLIER 'General case' 0 C--N 1.357 0.928 0 C-N-CA 129.551 3.141 . . . . 200.7 108.747 -170.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 55.4 mtmt -93.58 -48.99 6.1 Favored 'General case' 0 C--N 1.358 0.96 0 O-C-N 120.187 -1.571 . . . . 433.73 114.739 -176.115 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 19.7 t70 73.7 -71.6 0.13 Allowed 'General case' 0 C--N 1.363 1.167 0 C-N-CA 126.841 2.057 . . . . 485.87 113.953 179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.6 tp10 -88.68 56.4 3.75 Favored 'General case' 0 C--N 1.358 0.944 0 C-N-CA 126.401 1.88 . . . . 128.36 112.592 -179.786 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -152.31 59.88 0.83 Allowed 'General case' 0 C--N 1.352 0.69 0 N-CA-C 107.715 -1.217 . . . . 324.71 107.715 178.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.9 p-10 -123.32 -13.89 7.56 Favored 'General case' 0 C--N 1.354 0.789 0 C-N-CA 125.448 1.499 . . . . 295.51 113.408 -178.086 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 169.86 -43.93 0.0 OUTLIER 'General case' 0 C--N 1.355 0.835 0 N-CA-C 105.727 -1.953 . . . . 223.82 105.727 -177.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 36.1 mtmm . . . . . 0 C--O 1.261 1.707 0 C-N-CA 129.177 2.991 . . . . 123.21 110.759 -178.412 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.495 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 9.9 ptm . . . . . 0 N--CA 1.495 1.785 0 CA-C-O 121.499 0.666 . . . . 107.41 109.423 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.509 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.271 0.0 OUTLIER -51.9 -28.67 17.07 Favored 'General case' 0 C--N 1.357 0.923 1 C-N-CA 132.448 4.299 . . . . 254.42 112.895 168.79 . . . . . . . . 5 4 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 2.9 m120 -48.66 -34.28 11.53 Favored 'General case' 0 CA--C 1.573 1.843 0 C-N-CA 128.222 2.609 . . . . 212.44 113.485 -168.406 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 17.1 m120 -77.66 -33.16 53.52 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 138.648 6.779 . . . . 205.99 117.903 171.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.449 ' HB2' ' HA ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -73.25 -33.2 65.16 Favored 'General case' 0 C--N 1.355 0.841 1 C-N-CA 133.685 4.794 . . . . 104.03 114.981 -172.316 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.455 HG22 ' CZ ' ' A' ' 2' ' ' PHE . 0.2 OUTLIER -49.78 -30.9 6.16 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.367 0 C-N-CA 131.513 3.925 . . . . 55.88 114.69 -177.479 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -78.08 -34.94 49.98 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 128.122 2.569 . . . . 50.11 113.451 174.415 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -95.23 -38.47 10.54 Favored 'General case' 0 C--N 1.363 1.156 0 C-N-CA 126.987 2.115 . . . . 125.51 115.414 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -124.66 127.7 47.71 Favored 'General case' 0 C--N 1.355 0.807 0 C-N-CA 127.551 2.34 . . . . 70.45 111.71 -172.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.521 ' HE3' ' H ' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -104.13 156.16 18.11 Favored 'General case' 0 C--N 1.357 0.919 0 C-N-CA 127.361 2.264 . . . . 60.0 114.016 178.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 41.3 mtmt -72.36 145.83 47.49 Favored 'General case' 0 C--N 1.364 1.202 1 C-N-CA 132.053 4.141 . . . . 147.71 114.842 179.079 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.25 -4.13 40.82 Favored Glycine 0 C--N 1.367 2.272 0 C-N-CA 125.865 1.698 . . . . 37.09 112.749 -174.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -94.28 168.66 10.76 Favored 'General case' 0 CA--C 1.502 -0.893 0 C-N-CA 129.501 3.12 . . . . 38.88 110.514 -172.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 2.9 mm -109.83 135.33 49.15 Favored 'Isoleucine or valine' 0 C--N 1.344 0.364 0 C-N-CA 125.19 1.396 . . . . 122.0 109.434 -176.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 5.4 m -135.89 145.84 30.51 Favored 'Isoleucine or valine' 0 C--N 1.363 1.179 0 N-CA-C 104.087 -2.56 . . . . 142.55 104.087 -176.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 20.9 p -101.22 128.42 47.35 Favored 'General case' 0 CA--C 1.499 -0.998 0 O-C-N 121.026 -1.047 . . . . 78.3 110.016 -179.657 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -138.13 160.93 25.53 Favored Glycine 0 CA--C 1.478 -2.27 0 C-N-CA 120.224 -0.989 . . . . 132.34 113.245 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . 0.412 ' HG3' ' HB3' ' A' ' 30' ' ' GLU . 8.8 ptpp? -114.22 139.06 49.7 Favored 'General case' 0 CA--C 1.48 -1.734 0 N-CA-C 116.836 2.161 . . . . 178.17 116.836 -174.576 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 59.5 t -65.13 128.42 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 C-N-CA 124.834 1.254 . . . . 110.83 114.109 -178.589 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 81.8 p -129.36 -47.34 1.19 Allowed 'General case' 0 N--CA 1.482 1.141 0 N-CA-C 116.408 2.003 . . . . 113.29 116.408 -174.546 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.45 150.58 23.53 Favored 'General case' 0 CA--C 1.486 -1.503 0 N-CA-C 102.802 -3.036 . . . . 71.12 102.802 -176.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.251 20.0 m -119.76 147.34 23.48 Favored 'Isoleucine or valine' 0 C--N 1.346 0.436 0 N-CA-C 116.103 1.89 . . . . 135.68 116.103 -175.756 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -105.57 169.79 8.26 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.956 2.502 . . . . 141.25 105.41 173.12 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -52.07 -44.09 64.16 Favored 'General case' 0 N--CA 1.481 1.121 0 N-CA-C 116.887 2.18 . . . . 271.48 116.887 179.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 7.2 ptmt -106.9 -0.14 23.45 Favored 'General case' 0 C--N 1.354 0.777 0 C-N-CA 127.287 2.235 . . . . 310.7 109.516 171.039 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -112.49 155.76 16.04 Favored Glycine 0 CA--C 1.476 -2.377 0 CA-C-O 123.571 1.65 . . . . 87.6 115.951 -160.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.53 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -139.98 132.15 28.1 Favored 'General case' 0 N--CA 1.424 -1.749 0 N-CA-C 100.485 -3.895 . . . . 79.41 100.485 168.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 7.4 m -101.76 114.92 29.42 Favored 'General case' 0 C--N 1.352 0.684 0 N-CA-C 102.718 -3.067 . . . . 62.25 102.718 173.331 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.5 p -103.44 139.32 24.72 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 107.749 -1.204 . . . . 93.73 107.749 -173.731 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.412 ' HB3' ' HG3' ' A' ' 18' ' ' LYS . 33.1 tt0 -90.72 126.24 35.93 Favored 'General case' 0 C--N 1.37 1.458 0 C-N-CA 124.9 1.28 . . . . 111.65 109.034 174.308 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -104.72 -9.57 18.06 Favored 'General case' 0 CA--C 1.514 -0.437 0 C-N-CA 127.877 2.471 . . . . 122.61 113.143 -170.088 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 76.11 151.41 0.12 Allowed 'General case' 0 C--N 1.357 0.902 0 N-CA-C 118.324 2.712 . . . . 108.78 118.324 173.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 14.9 t70 77.52 11.23 2.2 Favored 'General case' 0 C--N 1.369 1.415 0 C-N-CA 126.463 1.905 . . . . 249.36 110.46 -171.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.06 19.25 19.79 Favored Glycine 0 C--N 1.364 2.085 0 C-N-CA 125.914 1.721 . . . . 261.8 114.53 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.353 0.6 OUTLIER -109.53 146.02 15.49 Favored 'Isoleucine or valine' 0 C--N 1.358 0.943 0 O-C-N 120.364 -1.668 . . . . 162.68 111.377 178.255 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.29 154.72 44.56 Favored 'General case' 0 CA--C 1.497 -1.093 0 C-N-CA 128.414 2.686 . . . . 124.5 108.815 176.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -153.87 -152.57 6.11 Favored Glycine 0 N--CA 1.488 2.154 0 C-N-CA 119.295 -1.431 . . . . 66.69 111.252 172.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -107.29 139.22 42.1 Favored 'General case' 0 C--N 1.372 1.559 0 N-CA-C 116.52 2.044 . . . . 130.64 116.52 -179.691 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 8.2 tt -125.55 119.64 28.69 Favored 'General case' 0 C--N 1.353 0.76 0 N-CA-C 103.265 -2.865 . . . . 173.09 103.265 168.644 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.4 mpt_? -81.06 135.27 35.8 Favored 'General case' 0 C--N 1.366 1.319 0 CA-C-N 120.551 1.523 . . . . 234.38 112.933 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -66.88 -46.24 75.6 Favored 'General case' 0 C--N 1.374 1.664 0 C-N-CA 125.672 1.589 . . . . 67.0 113.92 -178.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.7 m -59.73 -18.77 45.44 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 128.777 2.831 . . . . 92.06 116.712 174.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 50.5 mm-40 -108.98 28.56 8.35 Favored 'General case' 0 C--N 1.354 0.765 0 C-N-CA 126.631 1.973 . . . . 241.64 110.56 177.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -157.81 -62.18 0.09 Allowed 'General case' 0 C--N 1.353 0.725 0 O-C-N 120.716 -1.24 . . . . 115.06 109.261 -179.014 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 60.8 p -114.61 -45.05 3.03 Favored 'General case' 0 C--N 1.352 0.675 0 C-N-CA 125.428 1.491 . . . . 89.7 114.038 -176.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . 0.406 ' HG3' ' H ' ' A' ' 47' ' ' ASP . 17.3 tpt180 94.95 178.42 0.01 OUTLIER 'General case' 0 C--N 1.356 0.885 0 C-N-CA 130.581 3.553 . . . . 131.17 106.595 -167.33 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.406 ' H ' ' HG3' ' A' ' 46' ' ' ARG . 26.8 t0 -123.04 1.82 9.26 Favored 'General case' 0 C--N 1.349 0.548 0 C-N-CA 125.468 1.507 . . . . 115.97 109.945 177.817 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 -128.61 4.03 5.55 Favored 'General case' 0 C--N 1.362 1.13 0 C-N-CA 125.86 1.664 . . . . 295.16 111.861 -178.59 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.626 HG22 ' H ' ' A' ' 50' ' ' GLU . 9.9 p -165.42 -177.37 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.357 0.915 0 N-CA-C 103.742 -2.688 . . . . 224.7 103.742 -178.673 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.626 ' H ' HG22 ' A' ' 49' ' ' VAL . 54.5 mt-10 -111.29 131.19 55.34 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 129.79 3.236 . . . . 111.84 107.069 176.428 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.273 48.4 m-20 -118.9 -113.85 0.33 Allowed 'General case' 0 CA--C 1.49 -1.339 1 N-CA-C 99.783 -4.154 . . . . 210.5 99.783 173.548 . . . . . . . . 3 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.381 . . -55.92 -9.57 0.61 Allowed 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 118.668 2.84 . . . . 72.77 118.668 168.039 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -59.25 -29.06 67.27 Favored 'General case' 0 C--N 1.384 2.101 0 CA-C-N 123.386 2.812 . . . . 87.74 116.604 -164.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -80.39 -20.67 43.51 Favored 'General case' 0 C--N 1.353 0.744 0 C-N-CA 126.963 2.105 . . . . 161.64 113.255 173.092 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.351 2.6 m -109.44 17.55 7.22 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.815 0 C-N-CA 127.092 2.157 . . . . 155.98 113.297 -178.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.7 mt -131.4 131.45 43.63 Favored 'General case' 0 N--CA 1.42 -1.936 0 N-CA-C 100.637 -3.838 . . . . 155.03 100.637 168.562 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 5.3 t -112.46 160.85 17.36 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 111.119 -2.764 . . . . 156.32 109.476 170.631 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 67.8 t -74.41 125.29 33.55 Favored 'Isoleucine or valine' 0 C--N 1.359 1.009 0 C-N-CA 128.517 2.727 . . . . 268.83 109.161 174.416 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 -2.94 82.15 Favored Glycine 0 C--N 1.361 1.949 0 C-N-CA 125.319 1.437 . . . . 172.39 114.06 -172.639 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -97.05 135.3 39.24 Favored 'General case' 0 C--N 1.365 1.28 0 N-CA-C 105.32 -2.104 . . . . 159.43 105.32 178.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -110.01 150.97 27.75 Favored 'General case' 0 N--CA 1.44 -0.94 0 N-CA-C 115.158 1.54 . . . . 194.78 115.158 -173.086 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.6 m -139.53 160.6 27.85 Favored 'Isoleucine or valine' 0 C--N 1.35 0.619 0 C-N-CA 128.81 2.844 . . . . 166.4 108.174 -177.512 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -95.2 124.28 39.15 Favored 'General case' 0 C--N 1.36 1.026 0 C-N-CA 127.029 2.132 . . . . 114.41 111.87 -178.633 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.68 168.25 17.47 Favored 'General case' 0 CA--C 1.487 -1.47 0 N-CA-C 103.88 -2.637 . . . . 105.33 103.88 -169.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.0 ttmp? -99.86 127.42 46.03 Favored 'General case' 0 CA--C 1.497 -1.088 0 N-CA-C 106.451 -1.685 . . . . 93.58 106.451 -170.266 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -95.86 104.27 16.2 Favored 'General case' 0 C--N 1.376 1.745 0 N-CA-C 104.419 -2.437 . . . . 129.39 104.419 -175.125 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.254 4.5 t -112.45 -49.42 2.95 Favored 'General case' 0 C--N 1.373 1.588 0 N-CA-C 114.878 1.436 . . . . 155.62 114.878 -162.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.59 156.55 26.85 Favored Glycine 0 C--N 1.35 1.349 0 O-C-N 121.431 -0.793 . . . . 52.87 112.117 -176.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.509 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.29 0.5 OUTLIER -117.59 142.44 31.79 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.214 0 C-N-CA 127.097 2.159 . . . . 127.12 109.87 177.505 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -92.87 127.41 38.37 Favored 'General case' 0 C--N 1.356 0.851 0 N-CA-C 106.727 -1.583 . . . . 134.55 106.727 177.084 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 50.9 ptt85 -70.15 -31.71 69.35 Favored 'General case' 0 C--N 1.354 0.785 0 N-CA-C 116.566 2.061 . . . . 145.62 116.566 -173.234 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -65.13 -41.12 95.13 Favored 'General case' 0 C--N 1.364 1.204 0 C-N-CA 127.93 2.492 . . . . 115.07 116.158 -176.281 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.65 -13.13 15.11 Favored 'General case' 0 C--N 1.358 0.943 0 O-C-N 120.951 -1.093 . . . . 103.56 110.616 174.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.331 35.4 ttp180 62.22 53.54 2.85 Favored 'General case' 0 C--N 1.365 1.275 0 C-N-CA 128.497 2.719 . . . . 168.39 115.104 -177.479 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.406 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -132.09 162.83 29.85 Favored 'General case' 0 N--CA 1.431 -1.376 0 C-N-CA 126.609 1.963 . . . . 71.7 108.596 -177.538 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.495 ' H ' ' HE1' ' A' ' 1' ' ' MET 0.351 2.1 pp -96.19 138.44 21.53 Favored 'Isoleucine or valine' 0 CA--C 1.515 -0.389 1 C-N-CA 133.063 4.545 . . . . 171.51 118.268 -176.621 . . . . . . . . 4 3 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 78.0 p -109.31 129.71 55.51 Favored 'General case' 0 N--CA 1.432 -1.333 0 C-N-CA 130.299 3.44 . . . . 75.12 105.417 177.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 1.2 mt -130.51 146.7 52.1 Favored 'General case' 0 CA--C 1.494 -1.178 0 N-CA-C 106.527 -1.657 . . . . 127.79 106.527 176.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.2 m -107.47 136.86 46.54 Favored 'General case' 0 C--O 1.209 -1.027 0 N-CA-C 106.419 -1.697 . . . . 189.29 106.419 164.313 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.442 HG23 ' H ' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -49.31 -17.06 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.478 0.966 2 C-N-CA 133.778 4.831 . . . . 139.9 122.807 -173.751 . . . . . . . . 4 4 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 35.2 mmt180 -81.23 -23.35 38.11 Favored 'General case' 0 CA--C 1.507 -0.699 1 C-N-CA 132.731 4.413 . . . . 366.01 118.987 -156.722 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.37 -87.29 0.02 OUTLIER 'General case' 0 C--N 1.358 0.942 0 C-N-CA 127.715 2.406 . . . . 200.7 112.392 -177.626 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 16.0 ptpt -130.86 20.01 5.03 Favored 'General case' 0 N--CA 1.449 -0.504 0 C-N-CA 126.471 1.908 . . . . 433.73 108.454 176.225 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 73.62 48.48 0.15 Allowed 'General case' 0 C--N 1.368 1.394 0 C-N-CA 128.123 2.569 . . . . 485.87 114.34 178.555 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 46.2 mt-10 66.89 -127.73 0.19 Allowed 'General case' 0 C--N 1.367 1.367 0 C-N-CA 127.401 2.28 . . . . 128.36 113.627 -178.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -140.3 64.75 1.43 Allowed 'General case' 0 C--N 1.354 0.798 0 N-CA-C 106.44 -1.689 . . . . 324.71 106.44 177.289 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -136.32 32.63 2.83 Favored 'General case' 0 C--N 1.352 0.677 0 C-N-CA 124.931 1.292 . . . . 295.51 107.826 178.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 17.1 tp10 -142.5 -29.96 0.56 Allowed 'General case' 0 C--N 1.35 0.622 0 C-N-CA 126.1 1.76 . . . . 223.82 109.187 -179.067 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.258 1.518 0 N-CA-C 102.469 -3.16 . . . . 123.21 102.469 177.336 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.497 ' SD ' HD11 ' A' ' 76' ' ' ILE . 0.8 OUTLIER . . . . . 0 N--CA 1.501 2.103 0 N-CA-C 114.863 1.431 . . . . 107.41 114.863 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.584 ' CG ' HG23 ' A' ' 76' ' ' ILE . 3.5 t80 -50.79 -40.5 55.4 Favored 'General case' 0 C--N 1.381 1.955 0 C-N-CA 128.466 2.706 . . . . 254.42 113.61 177.001 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . 0.447 ' HB2' HG21 ' A' ' 35' ' ' VAL . 0.1 OUTLIER -50.71 -43.33 57.82 Favored 'General case' 0 CA--C 1.57 1.742 0 C-N-CA 129.342 3.057 . . . . 212.44 113.055 -172.567 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 7.8 m120 -78.98 -52.47 8.2 Favored 'General case' 0 C--N 1.373 1.598 1 C-N-CA 133.678 4.791 . . . . 205.99 116.493 169.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.47 ' CD2' ' HB2' ' A' ' 9' ' ' ASN . 77.1 t90 -57.4 -33.82 68.24 Favored 'General case' 0 C--N 1.365 1.244 1 C-N-CA 135.598 5.559 . . . . 104.03 114.581 -175.511 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 6.4 p -49.62 -30.57 5.37 Favored 'Isoleucine or valine' 0 C--N 1.363 1.166 0 C-N-CA 130.936 3.694 . . . . 55.88 115.01 178.678 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.99 -37.19 64.52 Favored 'General case' 0 C--N 1.359 0.999 0 C-N-CA 127.0 2.12 . . . . 50.11 114.097 172.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 69.1 mt -95.91 -39.84 9.6 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 116.701 2.111 . . . . 125.51 116.701 178.21 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . 0.47 ' HB2' ' CD2' ' A' ' 5' ' ' TRP . 30.8 m120 -126.69 139.81 52.87 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 128.0 2.52 . . . . 70.45 113.552 -172.414 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -106.79 157.08 18.01 Favored 'General case' 0 N--CA 1.445 -0.724 0 C-N-CA 127.893 2.477 . . . . 60.0 116.61 -176.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 8.8 mtmm -68.68 147.49 51.79 Favored 'General case' 0 C--N 1.363 1.182 1 C-N-CA 134.308 5.043 . . . . 147.71 113.392 172.004 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 106.07 -4.08 38.46 Favored Glycine 0 C--N 1.361 1.919 0 C-N-CA 126.047 1.784 . . . . 37.09 112.716 -164.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -99.69 155.48 17.6 Favored 'General case' 0 N--CA 1.439 -1.004 0 C-N-CA 129.103 2.961 . . . . 38.88 109.027 -175.759 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.3 pt -116.99 134.89 59.14 Favored 'Isoleucine or valine' 0 C--N 1.349 0.547 0 C-N-CA 125.978 1.711 . . . . 122.0 111.009 -177.702 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 13.8 m -142.75 160.76 18.53 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.704 0 O-C-N 119.4 -2.063 . . . . 142.55 105.727 -175.204 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 3.2 p -95.7 127.57 41.84 Favored 'General case' 0 CA--C 1.511 -0.556 0 CA-C-O 121.077 0.465 . . . . 78.3 109.788 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.49 167.52 18.89 Favored Glycine 0 CA--C 1.486 -1.724 0 N-CA-C 111.01 -0.836 . . . . 132.34 111.01 178.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.295 33.6 pttt -110.75 139.17 46.28 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 117.482 2.401 . . . . 178.17 117.482 -171.015 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.07 130.7 35.62 Favored 'Isoleucine or valine' 0 C--N 1.37 1.461 0 N-CA-C 113.526 0.936 . . . . 110.83 113.526 179.514 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.437 HG21 ' HB2' ' A' ' 30' ' ' GLU . 77.9 p -130.53 -41.18 1.22 Allowed 'General case' 0 C--N 1.367 1.367 0 N-CA-C 118.552 2.797 . . . . 113.29 118.552 -174.284 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.69 136.8 11.7 Favored 'General case' 0 C--N 1.364 1.231 0 N-CA-C 104.825 -2.287 . . . . 71.12 104.825 -174.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -117.59 147.48 20.98 Favored 'Isoleucine or valine' 0 C--N 1.352 0.685 0 N-CA-C 117.568 2.433 . . . . 135.68 117.568 -172.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.255 5.3 m-20 -105.59 170.71 7.73 Favored 'General case' 0 C--N 1.363 1.167 0 C-N-CA 129.1 2.96 . . . . 141.25 106.094 172.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -61.4 -40.0 92.77 Favored 'General case' 0 CA--C 1.556 1.205 0 O-C-N 118.922 -2.361 . . . . 271.48 114.756 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 21.5 pttp -104.18 0.64 29.75 Favored 'General case' 0 C--N 1.353 0.76 0 C-N-CA 131.501 3.92 . . . . 310.7 110.534 175.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.09 150.17 16.83 Favored Glycine 0 C--N 1.366 2.215 0 CA-C-O 124.042 1.912 . . . . 87.6 115.245 -168.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.52 ' HB3' ' HG ' ' A' ' 39' ' ' LEU . . . -142.51 131.5 23.07 Favored 'General case' 0 N--CA 1.431 -1.398 0 N-CA-C 100.269 -3.975 . . . . 79.41 100.269 164.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -104.38 128.89 52.31 Favored 'General case' 0 CA--C 1.511 -0.537 0 N-CA-C 107.05 -1.463 . . . . 62.25 107.05 -178.304 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.84 133.1 47.54 Favored 'Isoleucine or valine' 0 C--N 1.36 1.061 0 N-CA-C 105.589 -2.004 . . . . 93.73 105.589 -174.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.437 ' HB2' HG21 ' A' ' 20' ' ' THR . 34.5 tt0 -94.27 130.27 40.61 Favored 'General case' 0 C--N 1.357 0.901 0 CA-C-O 123.472 1.606 . . . . 111.65 108.506 175.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 17.8 mt -113.35 -32.81 6.13 Favored 'General case' 0 N--CA 1.43 -1.433 0 CA-C-N 112.41 -2.177 . . . . 122.61 107.594 -178.103 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.268 . . 94.7 161.26 0.02 OUTLIER 'General case' 0 C--N 1.373 1.608 0 C-N-CA 129.156 2.982 . . . . 108.78 117.401 173.854 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 22.5 t70 96.73 5.1 0.02 OUTLIER 'General case' 0 C--N 1.365 1.247 0 C-N-CA 130.515 3.526 . . . . 249.36 108.858 -172.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 109.77 -25.78 16.05 Favored Glycine 0 C--N 1.365 2.174 0 C-N-CA 124.977 1.275 . . . . 261.8 111.284 -176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.482 ' HB ' ' HE2' ' A' ' 1' ' ' MET . 0.0 OUTLIER -89.5 137.29 21.65 Favored 'Isoleucine or valine' 0 CA--C 1.547 0.848 0 C-N-CA 127.013 2.125 . . . . 162.68 113.322 -178.226 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.402 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 27.0 mt-10 -127.08 155.49 43.19 Favored 'General case' 0 C--N 1.354 0.782 0 C-N-CA 128.912 2.885 . . . . 124.5 111.074 -172.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.626 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -117.73 -166.98 14.09 Favored Glycine 0 C--N 1.374 2.673 0 N-CA-C 109.576 -1.409 . . . . 66.69 109.576 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 11.8 t80 -115.14 138.07 51.32 Favored 'General case' 0 C--N 1.373 1.593 0 CA-C-N 120.621 2.211 . . . . 130.64 116.119 -178.779 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.52 ' HG ' ' HB3' ' A' ' 27' ' ' ALA 0.442 0.4 OUTLIER -121.17 124.78 45.55 Favored 'General case' 0 C--N 1.361 1.079 0 O-C-N 118.865 -2.397 . . . . 173.09 110.453 164.261 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -79.85 138.34 37.17 Favored 'General case' 0 C--N 1.367 1.367 0 N-CA-C 116.703 2.112 . . . . 234.38 116.703 -175.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -67.63 -31.52 71.59 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 128.345 2.658 . . . . 67.0 114.051 173.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.0 m -71.81 -19.38 62.0 Favored 'General case' 0 C--N 1.353 0.743 0 C-N-CA 129.675 3.19 . . . . 92.06 114.479 176.731 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -110.43 -53.87 2.64 Favored 'General case' 0 C--N 1.358 0.96 0 C-N-CA 126.276 1.83 . . . . 241.64 110.615 179.081 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.546 ' HB1' HD21 ' A' ' 56' ' ' LEU . . . -92.66 67.96 4.64 Favored 'General case' 0 C--N 1.362 1.139 0 O-C-N 119.648 -1.907 . . . . 115.06 113.655 -176.108 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 17.1 t -147.7 159.13 44.13 Favored 'General case' 0 C--N 1.351 0.663 0 N-CA-C 107.135 -1.431 . . . . 89.7 107.135 176.15 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 86.0 mmt-85 -114.04 -9.06 13.01 Favored 'General case' 0 C--N 1.357 0.894 0 C-N-CA 125.637 1.575 . . . . 131.17 110.722 172.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 46.0 m-20 -148.16 -162.71 1.61 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.721 2.008 . . . . 115.97 109.086 -179.712 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -123.35 178.38 5.17 Favored 'General case' 0 C--N 1.36 1.046 0 C-N-CA 127.099 2.16 . . . . 295.16 107.724 177.843 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.269 29.0 t 80.41 -64.52 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.372 1.544 0 C-N-CA 128.245 2.618 . . . . 224.7 110.876 -177.342 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -106.08 129.96 54.08 Favored 'General case' 0 C--N 1.353 0.754 1 N-CA-C 98.308 -4.701 . . . . 111.84 98.308 169.118 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -114.65 -111.84 0.35 Allowed 'General case' 0 CA--C 1.479 -1.771 0 N-CA-C 101.447 -3.538 . . . . 210.5 101.447 -172.656 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.325 . . -53.79 -12.69 0.57 Allowed 'General case' 0 CA--C 1.545 0.773 0 CA-C-N 112.72 -2.037 . . . . 72.77 115.652 164.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.1 p -78.91 -26.18 43.74 Favored 'General case' 0 C--N 1.381 1.959 0 O-C-N 119.571 -1.956 . . . . 87.74 113.198 169.225 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 37.3 tp -81.12 -41.91 21.74 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 116.429 2.011 . . . . 161.64 116.429 175.556 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.314 1.4 p -114.15 16.42 8.0 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.028 0 N-CA-C 115.519 1.674 . . . . 155.98 115.519 -172.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.546 HD21 ' HB1' ' A' ' 44' ' ' ALA . 3.9 mm? -131.76 133.04 44.33 Favored 'General case' 0 N--CA 1.439 -0.991 0 C-N-CA 114.129 -3.029 . . . . 155.03 104.987 166.094 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 59.8 p -99.43 139.39 35.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 111.238 -2.71 . . . . 156.32 108.386 169.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.5 p -74.09 124.1 30.77 Favored 'Isoleucine or valine' 0 C--N 1.356 0.859 0 C-N-CA 126.987 2.115 . . . . 268.83 111.3 179.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 101.13 -3.05 55.05 Favored Glycine 0 C--N 1.361 1.936 0 O-C-N 121.211 -0.93 . . . . 172.39 112.794 -172.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -108.92 151.83 25.76 Favored 'General case' 0 C--N 1.361 1.068 0 N-CA-C 107.415 -1.328 . . . . 159.43 107.415 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -107.4 152.94 23.5 Favored 'General case' 0 C--N 1.352 0.704 0 N-CA-C 115.902 1.815 . . . . 194.78 115.902 -175.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.8 m -139.58 158.69 27.74 Favored 'Isoleucine or valine' 0 C--N 1.359 1.003 0 C-N-CA 127.086 2.154 . . . . 166.4 106.183 175.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -94.92 130.19 41.64 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.769 2.028 . . . . 114.41 111.154 -177.504 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.74 166.18 23.54 Favored 'General case' 0 CA--C 1.498 -1.044 0 O-C-N 120.557 -1.34 . . . . 105.33 107.578 -176.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 32.7 tptt -101.54 126.59 48.37 Favored 'General case' 0 CA--C 1.489 -1.366 0 C-N-CA 125.865 1.666 . . . . 93.58 110.086 -174.051 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -96.71 113.11 24.64 Favored 'General case' 0 C--N 1.372 1.544 0 N-CA-C 106.678 -1.601 . . . . 129.39 106.678 -175.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.7 m -153.93 56.78 0.73 Allowed 'General case' 0 C--N 1.358 0.974 0 CA-C-O 124.007 1.861 . . . . 155.62 107.935 -172.13 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 146.23 149.36 4.97 Favored Glycine 0 C--N 1.352 1.46 0 O-C-N 119.749 -1.844 . . . . 52.87 113.472 171.723 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.328 0.1 OUTLIER -127.86 141.65 45.86 Favored 'Isoleucine or valine' 0 C--N 1.357 0.896 0 C-N-CA 128.061 2.544 . . . . 127.12 109.615 176.127 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.8 m-20 -96.35 127.99 42.86 Favored 'General case' 0 C--N 1.35 0.628 0 C-N-CA 126.44 1.896 . . . . 134.55 105.982 174.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 18.3 ptp180 -70.78 -22.79 62.34 Favored 'General case' 0 C--N 1.357 0.91 0 N-CA-C 116.503 2.038 . . . . 145.62 116.503 -178.248 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 48.8 mmtm -73.0 -40.39 65.24 Favored 'General case' 0 C--N 1.364 1.223 0 C-N-CA 127.221 2.208 . . . . 115.07 115.406 -178.458 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -107.07 -12.85 15.32 Favored 'General case' 0 C--N 1.357 0.917 0 O-C-N 120.819 -1.176 . . . . 103.56 110.504 178.237 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.9 mmt180 62.78 39.86 10.48 Favored 'General case' 0 C--N 1.374 1.64 0 C-N-CA 127.812 2.445 . . . . 168.39 112.412 -174.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.435 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -126.34 164.33 21.29 Favored 'General case' 0 N--CA 1.412 -2.345 0 C-N-CA 129.735 3.214 . . . . 71.7 108.162 -172.145 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 1.005 ' H ' HD12 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -94.17 139.3 18.69 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.63 1 C-N-CA 134.734 5.214 . . . . 171.51 114.795 -167.986 . . . . . . . . 4 4 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.7 m -113.14 115.83 28.89 Favored 'General case' 0 C--N 1.357 0.924 0 N-CA-C 102.542 -3.133 . . . . 75.12 102.542 173.63 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.63 HD12 ' HB ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER -143.9 145.44 32.29 Favored 'General case' 0 N--CA 1.429 -1.485 0 CA-C-N 113.109 -1.859 . . . . 127.79 106.436 -173.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.0 m -107.13 145.03 32.99 Favored 'General case' 0 C--O 1.209 -1.055 0 C-N-CA 125.185 1.394 . . . . 189.29 107.659 177.507 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.427 0.0 OUTLIER -49.84 -14.95 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.486 1.357 1 N-CA-C 123.805 4.743 . . . . 139.9 123.805 178.82 . . . . . . . . 4 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.2 tpt180 -81.29 -43.08 19.65 Favored 'General case' 0 N--CA 1.471 0.598 1 N-CA-C 122.021 4.082 . . . . 366.01 122.021 -155.281 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.293 . . 99.36 -0.68 0.03 OUTLIER 'General case' 0 C--N 1.363 1.176 0 C-N-CA 128.269 2.628 . . . . 200.7 113.438 -171.218 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 84.1 tttt -166.18 138.81 3.95 Favored 'General case' 0 C--N 1.364 1.213 0 O-C-N 120.962 -1.086 . . . . 433.73 109.595 175.289 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -164.82 172.45 12.92 Favored 'General case' 0 C--N 1.367 1.362 0 N-CA-C 106.356 -1.72 . . . . 485.87 106.356 174.253 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 55.6 mt-10 -144.62 149.64 36.08 Favored 'General case' 0 C--N 1.351 0.646 0 N-CA-C 104.878 -2.267 . . . . 128.36 104.878 178.61 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -83.36 117.02 22.74 Favored 'General case' 0 C--N 1.361 1.078 0 C-N-CA 125.34 1.456 . . . . 324.71 108.446 175.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.278 25.2 t70 120.67 -18.65 0.01 OUTLIER 'General case' 0 C--N 1.361 1.077 0 C-N-CA 129.016 2.926 . . . . 295.51 108.284 -174.19 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -88.58 -34.41 17.35 Favored 'General case' 0 C--N 1.365 1.279 0 CA-C-O 123.24 1.495 . . . . 223.82 108.037 172.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.271 2.222 0 C-N-CA 130.292 3.437 . . . . 123.21 102.896 171.753 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.453 ' HB2' ' H ' ' A' ' 36' ' ' GLU . 0.6 OUTLIER . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.91 -0.404 . . . . 107.41 109.91 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.544 ' CG ' HG23 ' A' ' 76' ' ' ILE 0.301 0.0 OUTLIER -59.39 -30.72 68.63 Favored 'General case' 0 C--N 1.37 1.472 0 C-N-CA 128.622 2.769 . . . . 254.42 113.645 177.772 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -49.51 -30.19 7.99 Favored 'General case' 0 CA--C 1.59 2.482 0 C-N-CA 126.02 1.728 . . . . 212.44 113.576 -169.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 45.3 t30 -76.59 -50.81 12.91 Favored 'General case' 0 C--N 1.372 1.544 1 C-N-CA 132.878 4.471 . . . . 205.99 113.357 170.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 3.6 t90 -57.85 -33.81 69.05 Favored 'General case' 0 C--N 1.363 1.19 1 C-N-CA 133.956 4.903 . . . . 104.03 114.268 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 8.4 p -50.41 -31.46 8.69 Favored 'Isoleucine or valine' 0 C--N 1.371 1.541 0 C-N-CA 129.763 3.225 . . . . 55.88 116.012 179.473 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -79.38 -25.5 42.15 Favored 'General case' 0 C--N 1.361 1.102 0 C-N-CA 125.549 1.54 . . . . 50.11 113.47 176.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 26.8 mt -96.02 -39.56 9.69 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 127.062 2.145 . . . . 125.51 115.914 178.733 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 2.3 t-20 -113.52 148.34 36.24 Favored 'General case' 0 C--N 1.366 1.296 0 N-CA-C 115.033 1.494 . . . . 70.45 115.033 -169.535 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 30.4 mmtp -106.7 141.24 38.28 Favored 'General case' 0 C--N 1.364 1.216 0 N-CA-C 115.425 1.639 . . . . 60.0 115.425 -174.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.6 mtmm -73.09 144.59 46.96 Favored 'General case' 0 C--N 1.365 1.242 0 C-N-CA 128.262 2.625 . . . . 147.71 111.425 169.081 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 104.99 -3.92 41.46 Favored Glycine 0 C--N 1.367 2.255 0 CA-C-O 122.506 1.059 . . . . 37.09 112.817 -170.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.93 168.69 9.95 Favored 'General case' 0 CA--C 1.508 -0.668 0 C-N-CA 129.249 3.02 . . . . 38.88 109.773 -172.287 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 34.0 pt -117.16 136.28 54.83 Favored 'Isoleucine or valine' 0 CA--C 1.511 -0.538 0 C-N-CA 125.965 1.706 . . . . 122.0 111.663 -178.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.32 163.12 36.79 Favored 'Isoleucine or valine' 0 C--N 1.371 1.539 0 N-CA-C 105.757 -1.942 . . . . 142.55 105.757 -172.066 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 99.8 m -115.08 130.87 57.04 Favored 'General case' 0 CA--C 1.505 -0.757 0 N-CA-C 104.689 -2.337 . . . . 78.3 104.689 178.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.455 ' HA3' HD23 ' A' ' 31' ' ' LEU . . . -136.09 176.14 20.44 Favored Glycine 0 C--N 1.361 1.957 0 C-N-CA 120.145 -1.026 . . . . 132.34 115.042 174.799 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.259 18.9 ptmt -128.78 145.6 51.14 Favored 'General case' 0 CA--C 1.491 -1.294 0 N-CA-C 115.047 1.499 . . . . 178.17 115.047 176.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 22.1 t -78.09 123.22 34.53 Favored 'Isoleucine or valine' 0 C--N 1.37 1.482 0 C-N-CA 123.902 0.881 . . . . 110.83 112.124 -175.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 6.4 m -129.35 -19.27 3.49 Favored 'General case' 0 C--N 1.359 1.019 0 N-CA-C 114.815 1.413 . . . . 113.29 114.815 -170.583 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -161.38 153.74 20.1 Favored 'General case' 0 CA--C 1.492 -1.262 0 N-CA-C 105.372 -2.085 . . . . 71.12 105.372 -178.606 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.4 m -117.64 142.89 29.82 Favored 'Isoleucine or valine' 0 C--N 1.347 0.496 0 N-CA-C 114.16 1.17 . . . . 135.68 114.16 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.284 1.9 m-20 -106.64 169.22 8.66 Favored 'General case' 0 C--N 1.369 1.414 0 C-N-CA 127.289 2.236 . . . . 141.25 106.757 172.634 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -60.25 -37.66 81.09 Favored 'General case' 0 N--CA 1.479 0.985 0 O-C-N 119.691 -1.881 . . . . 271.48 114.908 177.572 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.8 ttmt -106.7 0.16 24.06 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 128.312 2.645 . . . . 310.7 110.202 173.306 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.97 163.07 21.71 Favored Glycine 0 CA--C 1.481 -2.092 0 CA-C-O 124.467 2.149 . . . . 87.6 116.582 -156.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -140.95 131.2 24.96 Favored 'General case' 0 N--CA 1.425 -1.689 1 N-CA-C 99.764 -4.161 . . . . 79.41 99.764 166.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 m -106.72 126.38 52.22 Favored 'General case' 0 C--O 1.24 0.584 0 N-CA-C 104.795 -2.298 . . . . 62.25 104.795 175.882 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.2 p -111.34 137.12 45.2 Favored 'Isoleucine or valine' 0 N--CA 1.44 -0.973 0 C-N-CA 126.771 2.028 . . . . 93.73 107.978 -170.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -90.0 122.89 33.43 Favored 'General case' 0 C--N 1.361 1.096 0 C-N-CA 126.909 2.084 . . . . 111.65 106.254 175.117 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.455 HD23 ' HA3' ' A' ' 17' ' ' GLY . 11.2 mt -109.48 3.98 21.87 Favored 'General case' 0 C--N 1.349 0.581 0 C-N-CA 127.228 2.211 . . . . 122.61 113.878 -168.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 71.61 163.53 0.27 Allowed 'General case' 0 C--N 1.352 0.702 0 C-N-CA 127.811 2.444 . . . . 108.78 117.535 174.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.1 t70 72.32 7.97 5.74 Favored 'General case' 0 C--N 1.369 1.45 0 C-N-CA 126.81 2.044 . . . . 249.36 111.485 -171.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 94.93 13.8 51.68 Favored Glycine 0 C--N 1.365 2.189 0 C-N-CA 127.244 2.354 . . . . 261.8 113.551 -171.454 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 14.2 t -95.06 145.66 7.87 Favored 'Isoleucine or valine' 0 C--N 1.362 1.138 0 C-N-CA 127.244 2.218 . . . . 162.68 113.815 -178.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' H ' ' HB2' ' A' ' 1' ' ' MET . 45.6 mt-10 -127.84 154.92 44.9 Favored 'General case' 0 CA--C 1.497 -1.059 0 C-N-CA 128.536 2.734 . . . . 124.5 112.384 176.646 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.704 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -156.02 -151.61 5.97 Favored Glycine 0 C--N 1.365 2.171 0 C-N-CA 119.488 -1.339 . . . . 66.69 110.808 167.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 96.8 m-85 -107.34 137.97 44.41 Favored 'General case' 0 C--N 1.372 1.553 0 N-CA-C 118.316 2.709 . . . . 130.64 118.316 -178.687 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -116.95 117.41 29.61 Favored 'General case' 0 C--N 1.357 0.928 0 N-CA-C 104.606 -2.368 . . . . 173.09 104.606 166.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 10.7 mmt180 -80.17 133.9 36.09 Favored 'General case' 0 C--N 1.363 1.194 0 N-CA-C 114.87 1.433 . . . . 234.38 114.87 -173.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.69 -25.82 60.42 Favored 'General case' 0 C--N 1.362 1.145 0 O-C-N 119.771 -1.831 . . . . 67.0 113.782 176.044 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 3.5 p -76.54 -31.26 57.5 Favored 'General case' 0 C--N 1.36 1.03 0 C-N-CA 130.296 3.438 . . . . 92.06 113.626 176.627 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 57.3 mm-40 -103.48 -37.31 7.64 Favored 'General case' 0 C--N 1.362 1.115 0 C-N-CA 124.502 1.121 . . . . 241.64 113.565 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -77.52 -26.25 50.94 Favored 'General case' 0 C--N 1.365 1.277 0 N-CA-C 116.083 1.883 . . . . 115.06 116.083 -175.806 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.9 p -88.77 -161.79 0.79 Allowed 'General case' 0 C--N 1.36 1.045 0 N-CA-C 115.816 1.784 . . . . 89.7 115.816 -177.666 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 71.7 ttt180 -113.65 -1.17 14.09 Favored 'General case' 0 C--N 1.361 1.077 0 O-C-N 120.559 -1.338 . . . . 131.17 110.307 176.406 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.3 m-20 69.43 70.62 0.25 Allowed 'General case' 0 C--N 1.371 1.504 0 C-N-CA 129.012 2.925 . . . . 115.97 113.667 -179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 24.4 ptt180 -139.2 -152.52 0.42 Allowed 'General case' 0 C--N 1.356 0.85 0 C-N-CA 125.076 1.35 . . . . 295.16 109.205 -176.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.3 m -73.1 -32.74 40.14 Favored 'Isoleucine or valine' 0 C--N 1.364 1.225 0 O-C-N 119.791 -1.818 . . . . 224.7 115.698 -175.365 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 50.3 mt-10 -116.75 131.13 57.03 Favored 'General case' 0 N--CA 1.446 -0.627 1 N-CA-C 99.832 -4.136 . . . . 111.84 99.832 170.516 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -102.35 -113.12 0.21 Allowed 'General case' 0 CA--C 1.497 -1.095 0 N-CA-C 100.325 -3.954 . . . . 210.5 100.325 175.718 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -49.73 -14.26 0.12 Allowed 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 117.691 2.478 . . . . 72.77 117.691 168.621 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -78.36 -26.8 46.81 Favored 'General case' 0 C--N 1.377 1.793 0 CA-C-N 120.356 1.435 . . . . 87.74 113.568 174.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -81.15 -42.2 21.25 Favored 'General case' 0 C--N 1.366 1.295 0 N-CA-C 116.83 2.159 . . . . 161.64 116.83 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . . 21.8 m -125.9 15.94 4.06 Favored 'Isoleucine or valine' 0 CA--C 1.452 -2.813 0 N-CA-C 113.654 0.983 . . . . 155.98 113.654 -174.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.6 mp -133.21 133.35 42.62 Favored 'General case' 0 CA--C 1.499 -0.981 0 C-N-CA 113.548 -3.261 . . . . 155.03 106.361 167.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.2 t -111.15 159.96 17.37 Favored 'General case' 0 CA--C 1.52 -0.191 0 CA-C-N 110.218 -3.174 . . . . 156.32 109.739 174.162 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . 0.27 75.6 t -74.79 121.41 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.431 -1.394 0 C-N-CA 128.39 2.676 . . . . 268.83 109.759 178.595 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 100.13 -2.56 56.61 Favored Glycine 0 C--N 1.36 1.902 0 O-C-N 121.509 -0.744 . . . . 172.39 112.52 -172.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 30.7 t70 -95.54 138.31 33.38 Favored 'General case' 0 C--N 1.365 1.255 0 C-N-CA 125.747 1.619 . . . . 159.43 108.36 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 79.8 mt-10 -89.05 152.79 21.47 Favored 'General case' 0 C--N 1.353 0.749 0 N-CA-C 117.908 2.558 . . . . 194.78 117.908 -173.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 3.4 m -140.13 162.52 24.79 Favored 'Isoleucine or valine' 0 C--N 1.368 1.396 0 N-CA-C 105.433 -2.062 . . . . 166.4 105.433 178.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.3 mt-10 -124.51 142.85 51.02 Favored 'General case' 0 N--CA 1.47 0.552 0 O-C-N 120.73 -1.232 . . . . 114.41 108.723 173.669 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -143.37 169.84 16.91 Favored 'General case' 0 CA--C 1.488 -1.438 0 C-N-CA 117.412 -1.715 . . . . 105.33 109.78 -175.182 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.2 tppt? -100.34 130.34 46.43 Favored 'General case' 0 CA--C 1.519 -0.248 0 N-CA-C 105.659 -1.978 . . . . 93.58 105.659 -177.653 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -97.72 104.53 16.56 Favored 'General case' 0 C--N 1.361 1.065 0 N-CA-C 106.176 -1.787 . . . . 129.39 106.176 -172.159 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.3 2.5 t -113.1 -37.86 4.64 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 118.916 -1.114 . . . . 155.62 113.781 -166.491 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.05 179.76 39.45 Favored Glycine 0 C--N 1.355 1.591 0 C-N-CA 120.234 -0.984 . . . . 52.87 114.58 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.411 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.2 OUTLIER -124.77 138.92 52.54 Favored 'Isoleucine or valine' 0 CA--C 1.5 -0.944 0 C-N-CA 126.903 2.081 . . . . 127.12 107.59 175.311 . . . . . . . . 4 4 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.1 m-20 -100.98 127.37 47.51 Favored 'General case' 0 C--N 1.353 0.721 0 N-CA-C 104.524 -2.398 . . . . 134.55 104.524 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 3.9 ptm180 -70.04 -16.59 63.18 Favored 'General case' 0 C--N 1.365 1.264 0 N-CA-C 115.483 1.66 . . . . 145.62 115.483 -175.022 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -73.41 -35.67 65.87 Favored 'General case' 0 C--N 1.361 1.076 0 C-N-CA 128.76 2.824 . . . . 115.07 112.861 176.114 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.296 76.4 m-20 -101.27 -14.95 17.45 Favored 'General case' 0 C--N 1.362 1.146 0 O-C-N 120.718 -1.239 . . . . 103.56 112.446 178.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.6 mmt180 58.21 32.91 22.61 Favored 'General case' 0 C--N 1.369 1.455 0 C-N-CA 128.05 2.54 . . . . 168.39 111.921 -169.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.413 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -134.07 166.62 22.32 Favored 'General case' 0 N--CA 1.42 -1.965 0 C-N-CA 130.577 3.551 . . . . 71.7 111.581 -167.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.544 HG23 ' CG ' ' A' ' 2' ' ' PHE . 8.2 pt -93.79 138.8 19.58 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.689 0 C-N-CA 131.693 3.997 . . . . 171.51 114.936 -175.445 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.7 p -113.46 116.14 29.13 Favored 'General case' 0 N--CA 1.429 -1.485 0 C-N-CA 129.744 3.218 . . . . 75.12 103.568 176.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.704 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -136.43 133.94 37.18 Favored 'General case' 0 CA--C 1.47 -2.134 0 N-CA-C 102.734 -3.061 . . . . 127.79 102.734 179.542 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.4 p -107.94 144.3 35.4 Favored 'General case' 0 C--O 1.213 -0.842 0 C-N-CA 125.431 1.492 . . . . 189.29 107.344 -177.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.353 1.5 p -48.32 -14.91 0.14 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.567 1 N-CA-C 122.336 4.198 . . . . 139.9 122.336 -172.902 . . . . . . . . 3 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 92.4 mtt-85 -60.35 -25.14 65.61 Favored 'General case' 0 C--N 1.316 -0.89 2 C-N-CA 134.649 5.18 . . . . 366.01 122.366 -151.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 69.65 -56.82 0.56 Allowed 'General case' 0 C--N 1.364 1.229 0 C-N-CA 126.578 1.951 . . . . 200.7 115.396 -179.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -159.44 67.73 0.41 Allowed 'General case' 0 C--N 1.349 0.572 0 N-CA-C 107.647 -1.242 . . . . 433.73 107.647 177.632 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.0 t70 -166.43 161.96 16.65 Favored 'General case' 0 C--N 1.355 0.812 0 N-CA-C 103.798 -2.667 . . . . 485.87 103.798 178.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 29.4 mm-40 -146.39 -169.99 3.4 Favored 'General case' 0 C--N 1.349 0.578 0 C-N-CA 127.442 2.297 . . . . 128.36 105.208 178.505 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -133.47 158.32 43.38 Favored 'General case' 0 C--N 1.356 0.849 0 N-CA-C 106.224 -1.769 . . . . 324.71 106.224 177.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.255 16.9 t70 96.14 -20.67 0.05 Allowed 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.867 2.867 . . . . 295.51 110.932 -176.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -139.54 85.39 2.04 Favored 'General case' 0 C--N 1.352 0.678 0 C-N-CA 127.295 2.238 . . . . 223.82 105.391 177.062 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 62.5 pttt . . . . . 0 C--O 1.269 2.082 0 N-CA-C 102.946 -2.983 . . . . 123.21 102.946 179.794 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.45 ' HE1' ' HA ' ' A' ' 75' ' ' ALA . 1.3 ppp? . . . . . 0 N--CA 1.496 1.871 0 N-CA-C 111.695 0.257 . . . . 107.41 111.695 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.486 ' CZ ' HG11 ' A' ' 69' ' ' VAL 0.259 0.0 OUTLIER -50.88 -31.05 16.21 Favored 'General case' 0 C--N 1.371 1.519 0 C-N-CA 130.301 3.441 . . . . 254.42 113.842 176.785 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.05 -32.13 8.96 Favored 'General case' 0 CA--C 1.585 2.299 0 C-N-CA 126.507 1.923 . . . . 212.44 114.942 -167.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.8 m120 -78.13 -33.28 50.57 Favored 'General case' 0 C--N 1.373 1.601 1 C-N-CA 137.162 6.185 . . . . 205.99 117.779 169.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.3 OUTLIER -69.08 -33.55 73.7 Favored 'General case' 0 C--N 1.353 0.731 1 C-N-CA 134.055 4.942 . . . . 104.03 115.342 -171.871 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.445 HG23 ' H ' ' A' ' 6' ' ' VAL . 0.2 OUTLIER -49.95 -32.07 7.8 Favored 'Isoleucine or valine' 0 C--N 1.374 1.66 0 C-N-CA 130.827 3.651 . . . . 55.88 115.019 -174.594 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.93 -37.31 64.64 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 129.326 3.05 . . . . 50.11 113.682 175.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 72.2 mt -95.94 -40.5 9.25 Favored 'General case' 0 C--N 1.365 1.259 0 O-C-N 121.047 -1.033 . . . . 125.51 113.615 176.699 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 8.9 t-20 -128.07 124.63 37.5 Favored 'General case' 0 C--N 1.359 0.983 0 C-N-CA 126.603 1.961 . . . . 70.45 110.232 177.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.32 156.64 18.68 Favored 'General case' 0 C--N 1.356 0.885 0 C-N-CA 126.631 1.973 . . . . 60.0 115.162 -179.795 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 40.7 mtpt -56.24 145.25 27.17 Favored 'General case' 0 C--N 1.361 1.089 1 C-N-CA 132.197 4.199 . . . . 147.71 115.746 175.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.5 -3.61 39.88 Favored Glycine 0 C--N 1.368 2.319 0 CA-C-O 122.844 1.247 . . . . 37.09 114.349 -175.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -106.0 173.68 6.21 Favored 'General case' 0 CA--C 1.501 -0.935 0 C-N-CA 128.654 2.782 . . . . 38.88 111.142 -169.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 3.5 mp -105.96 134.78 46.53 Favored 'Isoleucine or valine' 0 CA--C 1.514 -0.41 0 O-C-N 120.132 -1.605 . . . . 122.0 108.091 178.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.1 m -134.32 145.41 32.93 Favored 'Isoleucine or valine' 0 C--N 1.369 1.417 0 N-CA-C 104.064 -2.569 . . . . 142.55 104.064 -174.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.1 p -99.63 129.49 45.78 Favored 'General case' 0 C--N 1.346 0.432 0 C-N-CA 123.927 0.891 . . . . 78.3 111.362 -173.459 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -150.01 177.31 28.21 Favored Glycine 0 C--N 1.361 1.948 0 C-N-CA 119.534 -1.317 . . . . 132.34 114.85 173.249 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 0.0 OUTLIER -123.9 150.87 44.18 Favored 'General case' 0 CA--C 1.484 -1.571 0 N-CA-C 115.729 1.751 . . . . 178.17 115.729 178.481 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.2 t -74.19 130.02 36.18 Favored 'Isoleucine or valine' 0 C--N 1.37 1.485 0 CA-C-N 114.683 -1.144 . . . . 110.83 113.521 -178.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.577 ' HA ' HG23 ' A' ' 58' ' ' VAL . 5.1 t -139.23 -14.46 1.14 Allowed 'General case' 0 C--N 1.357 0.917 0 N-CA-C 116.596 2.072 . . . . 113.29 116.596 -174.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -166.34 154.93 10.77 Favored 'General case' 0 C--N 1.37 1.457 0 CA-C-N 120.594 1.543 . . . . 71.12 106.847 -173.547 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.5 m -117.21 142.17 32.4 Favored 'Isoleucine or valine' 0 C--N 1.348 0.531 0 O-C-N 120.762 -1.211 . . . . 135.68 113.224 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.295 1.9 m-20 -106.36 169.6 8.42 Favored 'General case' 0 C--N 1.367 1.352 0 C-N-CA 127.319 2.247 . . . . 141.25 105.242 171.046 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -57.35 -42.7 82.53 Favored 'General case' 0 N--CA 1.481 1.115 0 O-C-N 118.728 -2.483 . . . . 271.48 115.87 -179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 17.4 tppt? -106.75 0.22 24.01 Favored 'General case' 0 C--N 1.354 0.8 0 C-N-CA 129.206 3.002 . . . . 310.7 109.296 172.412 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -118.16 161.46 13.47 Favored Glycine 0 CA--C 1.478 -2.26 0 CA-C-O 124.389 2.105 . . . . 87.6 117.205 -162.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.452 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -135.49 131.58 36.28 Favored 'General case' 0 N--CA 1.422 -1.84 1 N-CA-C 98.573 -4.603 . . . . 79.41 98.573 167.11 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -103.99 121.63 43.54 Favored 'General case' 0 CA--C 1.508 -0.669 0 N-CA-C 104.872 -2.27 . . . . 62.25 104.872 177.748 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.4 p -106.71 139.51 27.93 Favored 'Isoleucine or valine' 0 C--N 1.355 0.808 0 N-CA-C 107.023 -1.473 . . . . 93.73 107.023 -175.308 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.0 tt0 -94.59 126.63 40.0 Favored 'General case' 0 C--N 1.363 1.159 0 N-CA-C 107.624 -1.25 . . . . 111.65 107.624 174.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 78' ' ' LEU . 1.8 mt -106.28 -2.04 22.78 Favored 'General case' 0 C--N 1.351 0.66 0 C-N-CA 126.805 2.042 . . . . 122.61 113.194 -172.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 74.73 162.28 0.25 Allowed 'General case' 0 C--N 1.359 0.992 0 N-CA-C 118.487 2.773 . . . . 108.78 118.487 174.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 70.0 8.21 6.58 Favored 'General case' 0 C--N 1.375 1.678 0 C-N-CA 126.567 1.947 . . . . 249.36 111.908 -172.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.87 10.57 42.71 Favored Glycine 0 C--N 1.362 1.994 0 C-N-CA 126.237 1.875 . . . . 261.8 113.441 -172.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.3 t -92.49 141.55 14.44 Favored 'Isoleucine or valine' 0 C--N 1.368 1.393 0 CA-C-N 119.983 1.892 . . . . 162.68 112.581 178.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -127.82 155.2 44.48 Favored 'General case' 0 C--N 1.355 0.827 0 C-N-CA 127.992 2.517 . . . . 124.5 111.994 174.738 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -156.73 -153.67 6.73 Favored Glycine 0 C--N 1.368 2.352 0 C-N-CA 119.003 -1.57 . . . . 66.69 110.826 169.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.453 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.7 m-85 -106.6 140.08 40.03 Favored 'General case' 0 C--N 1.366 1.288 0 N-CA-C 117.423 2.379 . . . . 130.64 117.423 -178.288 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.54 ' HG ' HG13 ' A' ' 80' ' ' VAL . 7.1 tt -122.6 120.09 32.75 Favored 'General case' 0 C--N 1.351 0.652 0 N-CA-C 103.901 -2.629 . . . . 173.09 103.901 166.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 6.8 mmm180 -80.72 135.23 35.97 Favored 'General case' 0 C--N 1.365 1.255 0 O-C-N 119.846 -1.784 . . . . 234.38 115.694 -176.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -73.39 -25.51 60.59 Favored 'General case' 0 C--N 1.371 1.535 0 N-CA-C 115.002 1.482 . . . . 67.0 115.002 176.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 10.6 t -74.14 -18.9 60.73 Favored 'General case' 0 C--N 1.361 1.075 0 C-N-CA 126.254 1.821 . . . . 92.06 113.635 176.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -109.41 -34.33 6.56 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 125.631 1.572 . . . . 241.64 112.689 -178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.56 ' HB1' HD21 ' A' ' 56' ' ' LEU . . . -99.91 -13.35 19.19 Favored 'General case' 0 C--N 1.363 1.175 0 N-CA-C 116.129 1.9 . . . . 115.06 116.129 -177.722 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.266 22.1 p -97.06 143.79 27.56 Favored 'General case' 0 C--N 1.369 1.415 0 O-C-N 120.047 -1.658 . . . . 89.7 115.016 -177.259 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 76.9 mtm180 -112.11 116.42 30.47 Favored 'General case' 0 C--N 1.355 0.837 0 N-CA-C 101.112 -3.662 . . . . 131.17 101.112 169.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 35.7 m-20 -87.37 99.62 12.12 Favored 'General case' 0 C--N 1.352 0.716 0 C-N-CA 126.028 1.731 . . . . 115.97 113.546 -171.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 21.5 tpp180 -157.15 79.52 0.9 Allowed 'General case' 0 C--N 1.353 0.734 0 N-CA-C 107.07 -1.455 . . . . 295.16 107.07 179.737 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.251 39.1 t 75.06 -52.78 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.374 1.64 0 C-N-CA 127.682 2.393 . . . . 224.7 112.05 -174.12 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -96.19 150.28 20.71 Favored 'General case' 0 CA--C 1.55 0.961 1 C-N-CA 132.227 4.211 . . . . 111.84 104.203 172.759 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -120.17 -114.21 0.32 Allowed 'General case' 0 CA--C 1.475 -1.904 1 N-CA-C 96.258 -5.46 . . . . 210.5 96.258 179.167 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.367 . . -54.49 -13.12 0.84 Allowed 'General case' 0 C--O 1.212 -0.883 0 N-CA-C 115.773 1.768 . . . . 72.77 115.773 169.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -71.31 -24.98 62.23 Favored 'General case' 0 C--N 1.375 1.701 0 O-C-N 119.442 -2.036 . . . . 87.74 113.254 168.764 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.1 tp -80.52 -43.01 21.43 Favored 'General case' 0 C--N 1.371 1.513 0 N-CA-C 117.122 2.267 . . . . 161.64 117.122 -176.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.307 7.8 p -128.23 16.28 3.02 Favored 'Isoleucine or valine' 0 CA--C 1.475 -1.922 0 O-C-N 121.326 -0.859 . . . . 155.98 112.807 -178.059 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.56 HD21 ' HB1' ' A' ' 44' ' ' ALA . 3.2 mm? -132.36 133.76 44.36 Favored 'General case' 0 N--CA 1.435 -1.205 0 N-CA-C 102.358 -3.201 . . . . 155.03 102.358 162.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 37.0 p -108.88 138.7 44.79 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 111.464 -2.607 . . . . 156.32 106.868 168.079 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.577 HG23 ' HA ' ' A' ' 20' ' ' THR . 0.6 OUTLIER -74.89 122.75 29.11 Favored 'Isoleucine or valine' 0 C--N 1.358 0.975 0 C-N-CA 127.088 2.155 . . . . 268.83 109.703 177.042 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.38 -3.06 39.96 Favored Glycine 0 C--N 1.355 1.614 0 C-N-CA 123.749 0.69 . . . . 172.39 111.774 -168.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.4 t70 -109.9 149.91 29.21 Favored 'General case' 0 C--N 1.363 1.156 0 CA-C-N 118.484 1.142 . . . . 159.43 109.154 179.206 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 38.3 mt-10 -92.94 154.79 17.97 Favored 'General case' 0 C--N 1.351 0.639 0 N-CA-C 118.926 2.936 . . . . 194.78 118.926 -172.19 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 20.7 m -134.26 161.99 39.79 Favored 'Isoleucine or valine' 0 C--N 1.372 1.563 0 C-N-CA 126.982 2.113 . . . . 166.4 105.519 172.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -116.65 119.34 35.2 Favored 'General case' 0 C--N 1.352 0.697 0 N-CA-C 101.714 -3.439 . . . . 114.41 101.714 172.246 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.08 168.43 16.78 Favored 'General case' 0 CA--C 1.476 -1.901 0 C-N-CA 116.276 -2.169 . . . . 105.33 105.669 -166.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -99.36 130.32 45.63 Favored 'General case' 0 CA--C 1.487 -1.468 0 N-CA-C 106.849 -1.537 . . . . 93.58 106.849 -169.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -95.86 103.74 15.63 Favored 'General case' 0 C--N 1.364 1.235 0 N-CA-C 104.791 -2.3 . . . . 129.39 104.791 -171.619 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 73.2 p -98.72 -68.97 0.78 Allowed 'General case' 0 C--N 1.373 1.594 0 CA-C-N 115.479 -0.782 . . . . 155.62 110.891 -168.033 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -160.93 174.39 37.54 Favored Glycine 0 CA--C 1.494 -1.264 0 CA-C-O 123.275 1.486 . . . . 52.87 115.16 178.706 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.486 HG11 ' CZ ' ' A' ' 2' ' ' PHE . 0.1 OUTLIER -125.66 141.26 45.99 Favored 'Isoleucine or valine' 0 C--N 1.35 0.615 0 C-N-CA 129.491 3.116 . . . . 127.12 106.817 -179.926 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 38.7 m-20 -100.94 127.92 47.2 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 103.394 -2.817 . . . . 134.55 103.394 167.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 6.8 ppt_? -49.86 -29.76 8.67 Favored 'General case' 0 C--N 1.356 0.889 0 C-N-CA 129.979 3.312 . . . . 145.62 118.0 -175.484 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.5 pttt -71.86 -24.33 61.67 Favored 'General case' 0 C--N 1.359 0.984 0 C-N-CA 129.093 2.957 . . . . 115.07 114.606 178.199 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . 0.284 64.8 m-80 -102.76 -14.58 16.58 Favored 'General case' 0 C--N 1.362 1.149 0 O-C-N 120.523 -1.361 . . . . 103.56 111.315 177.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 35.5 ptt-85 48.58 31.08 2.74 Favored 'General case' 0 C--N 1.369 1.435 1 C-N-CA 132.309 4.244 . . . . 168.39 111.777 -165.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.45 ' HA ' ' HE1' ' A' ' 1' ' ' MET . . . -134.94 161.87 34.03 Favored 'General case' 0 N--CA 1.419 -2.012 0 C-N-CA 125.764 1.626 . . . . 71.7 111.14 -170.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.44 HG23 ' CG ' ' A' ' 2' ' ' PHE . 13.8 pt -95.57 139.39 19.04 Favored 'Isoleucine or valine' 0 CA--C 1.52 -0.194 1 C-N-CA 135.444 5.497 . . . . 171.51 118.472 -173.745 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 35.2 m -110.45 133.72 53.01 Favored 'General case' 0 N--CA 1.433 -1.315 0 C-N-CA 130.576 3.55 . . . . 75.12 106.454 174.496 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.493 HD11 HD11 ' A' ' 31' ' ' LEU . 1.5 mt -128.09 145.97 50.84 Favored 'General case' 0 CA--C 1.492 -1.272 0 N-CA-C 107.09 -1.448 . . . . 127.79 107.09 175.054 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.7 p -106.98 126.97 53.02 Favored 'General case' 0 C--O 1.214 -0.795 0 N-CA-C 105.367 -2.086 . . . . 189.29 105.367 167.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.54 HG13 ' HG ' ' A' ' 39' ' ' LEU . 1.5 t -47.89 -17.06 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.474 0.755 2 N-CA-C 126.602 5.778 . . . . 139.9 126.602 -162.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 23.3 tpt85 -80.47 -43.35 21.0 Favored 'General case' 0 C--N 1.328 -0.361 1 N-CA-C 122.545 4.276 . . . . 366.01 122.545 -154.135 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . 0.253 . . 98.82 -16.95 0.04 OUTLIER 'General case' 0 C--N 1.359 0.979 0 C-N-CA 128.138 2.575 . . . . 200.7 111.122 -171.699 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -135.4 38.49 2.91 Favored 'General case' 0 C--N 1.354 0.784 0 C-N-CA 124.414 1.086 . . . . 433.73 113.018 -178.606 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . 0.303 15.1 t70 83.38 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.358 0.951 0 C-N-CA 127.371 2.268 . . . . 485.87 116.306 172.733 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 68.7 mm-40 -135.28 -82.02 0.42 Allowed 'General case' 0 C--N 1.353 0.748 0 C-N-CA 126.619 1.967 . . . . 128.36 110.001 -177.392 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.278 . . 84.14 9.45 0.48 Allowed 'General case' 0 C--N 1.364 1.208 0 C-N-CA 127.915 2.486 . . . . 324.71 114.863 179.549 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -97.15 4.58 51.12 Favored 'General case' 0 C--N 1.361 1.104 0 C-N-CA 127.433 2.293 . . . . 295.51 110.507 177.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 161.15 -153.32 0.0 OUTLIER 'General case' 0 N--CA 1.441 -0.911 2 N-CA-C 96.12 -5.511 . . . . 223.82 96.12 -179.371 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 63.4 mttp . . . . . 0 C--O 1.261 1.691 0 N-CA-C 103.505 -2.776 . . . . 123.21 103.505 172.86 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 ppp? . . . . . 0 N--CA 1.505 2.279 0 N-CA-C 113.175 0.806 . . . . 107.41 113.175 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.401 0.0 OUTLIER -60.54 -29.12 68.94 Favored 'General case' 0 C--N 1.371 1.513 0 C-N-CA 130.103 3.361 . . . . 254.42 113.136 175.385 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -49.0 -31.59 7.75 Favored 'General case' 0 CA--C 1.58 2.105 0 C-N-CA 128.669 2.788 . . . . 212.44 113.086 -170.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -77.94 -50.9 11.29 Favored 'General case' 0 C--N 1.375 1.7 1 C-N-CA 137.419 6.288 . . . . 205.99 116.566 168.091 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -52.82 -32.64 45.24 Favored 'General case' 0 C--N 1.355 0.829 1 C-N-CA 136.259 5.824 . . . . 104.03 117.282 -177.356 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.4 HG23 ' H ' ' A' ' 6' ' ' VAL . 1.7 t -49.95 -30.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.372 1.561 0 C-N-CA 131.007 3.723 . . . . 55.88 113.767 -177.62 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.26 -36.45 77.14 Favored 'General case' 0 CA--C 1.553 1.095 0 C-N-CA 128.2 2.6 . . . . 50.11 114.343 171.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 31.2 tp -96.26 -39.26 9.74 Favored 'General case' 0 C--N 1.364 1.214 0 C-N-CA 127.645 2.378 . . . . 125.51 116.922 177.21 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 5.2 t-20 -112.17 152.56 28.2 Favored 'General case' 0 C--N 1.361 1.071 0 O-C-N 119.819 -1.801 . . . . 70.45 115.325 -169.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 21.4 pttp -106.84 135.7 47.93 Favored 'General case' 0 C--N 1.357 0.901 0 N-CA-C 117.091 2.256 . . . . 60.0 117.091 -174.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 54.2 mtmt -74.67 145.02 43.51 Favored 'General case' 0 C--N 1.366 1.305 0 C-N-CA 129.252 3.021 . . . . 147.71 112.927 167.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 100.05 -4.12 57.28 Favored Glycine 0 C--N 1.372 2.53 0 CA-C-O 122.889 1.272 . . . . 37.09 113.151 -177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -105.42 163.66 12.46 Favored 'General case' 0 N--CA 1.442 -0.864 0 C-N-CA 129.151 2.98 . . . . 38.88 108.809 -174.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 12.6 pt -116.57 135.94 55.24 Favored 'Isoleucine or valine' 0 C--N 1.35 0.593 0 C-N-CA 125.927 1.691 . . . . 122.0 111.219 -176.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 4.1 m -135.85 160.14 39.24 Favored 'Isoleucine or valine' 0 CA--C 1.481 -1.676 0 N-CA-C 105.527 -2.027 . . . . 142.55 105.527 -170.791 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 2.4 t -98.23 127.83 44.37 Favored 'General case' 0 C--N 1.346 0.417 0 CA-C-O 122.559 1.171 . . . . 78.3 108.583 176.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -134.4 166.34 24.19 Favored Glycine 0 CA--C 1.481 -2.088 0 N-CA-C 109.77 -1.332 . . . . 132.34 109.77 177.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -115.92 142.43 46.79 Favored 'General case' 0 CA--C 1.48 -1.712 0 N-CA-C 117.873 2.545 . . . . 178.17 117.873 -174.603 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.0 t -65.55 132.03 31.27 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 CA-C-N 114.487 -1.233 . . . . 110.83 113.601 179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . 0.252 3.4 m -142.5 -45.08 0.32 Allowed 'General case' 0 N--CA 1.486 1.333 0 O-C-N 118.958 -2.339 . . . . 113.29 116.615 -176.107 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -152.53 149.17 28.23 Favored 'General case' 0 CA--C 1.483 -1.623 0 N-CA-C 104.094 -2.558 . . . . 71.12 104.094 -177.008 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . 0.269 16.0 m -117.71 147.24 21.27 Favored 'Isoleucine or valine' 0 C--N 1.349 0.562 0 N-CA-C 115.179 1.548 . . . . 135.68 115.179 -176.416 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -105.66 168.85 8.83 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 127.268 2.227 . . . . 141.25 105.629 173.346 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -59.52 -36.15 75.55 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 119.75 -1.844 . . . . 271.48 115.077 178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -106.5 -0.09 24.26 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 129.4 3.08 . . . . 310.7 110.279 174.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -128.14 160.29 21.92 Favored Glycine 0 CA--C 1.479 -2.171 0 N-CA-C 118.699 2.24 . . . . 87.6 118.699 -156.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.17 131.71 25.43 Favored 'General case' 0 N--CA 1.432 -1.361 0 N-CA-C 101.875 -3.38 . . . . 79.41 101.875 165.073 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 3.2 m -100.72 125.0 47.14 Favored 'General case' 0 C--O 1.235 0.332 0 N-CA-C 103.283 -2.858 . . . . 62.25 103.283 173.63 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.3 p -109.02 142.32 21.91 Favored 'Isoleucine or valine' 0 C--N 1.354 0.773 0 C-N-CA 125.339 1.456 . . . . 93.73 108.045 -176.005 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -89.74 127.76 36.0 Favored 'General case' 0 C--N 1.366 1.296 0 C-N-CA 124.352 1.061 . . . . 111.65 110.006 174.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -108.64 0.39 20.63 Favored 'General case' 0 C--N 1.352 0.696 0 C-N-CA 128.095 2.558 . . . . 122.61 111.445 -173.662 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 66.54 157.34 0.11 Allowed 'General case' 0 C--N 1.361 1.097 0 N-CA-C 119.251 3.056 . . . . 108.78 119.251 173.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 37.5 m-20 73.28 12.58 4.82 Favored 'General case' 0 C--N 1.37 1.482 0 C-N-CA 126.628 1.971 . . . . 249.36 111.604 -172.22 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 95.59 23.64 18.13 Favored Glycine 0 C--N 1.364 2.093 0 C-N-CA 125.901 1.715 . . . . 261.8 113.201 -175.384 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 20.6 t -104.13 137.41 33.1 Favored 'Isoleucine or valine' 0 C--N 1.358 0.957 0 C-N-CA 125.683 1.593 . . . . 162.68 109.582 179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -127.84 154.41 45.49 Favored 'General case' 0 CA--C 1.5 -0.978 0 C-N-CA 126.027 1.731 . . . . 124.5 108.982 174.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -145.45 -158.98 7.91 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.807 -0.917 . . . . 66.69 110.807 176.335 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.522 ' HB2' ' H ' ' A' ' 78' ' ' LEU . 2.6 m-85 -106.4 139.13 41.36 Favored 'General case' 0 C--N 1.372 1.564 0 C-N-CA 126.884 2.073 . . . . 130.64 113.446 176.484 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.431 HD22 HG12 ' A' ' 80' ' ' VAL 0.273 1.0 OUTLIER -133.85 133.57 41.72 Favored 'General case' 0 N--CA 1.445 -0.679 0 N-CA-C 102.56 -3.126 . . . . 173.09 102.56 175.405 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.526 ' H ' HG13 ' A' ' 80' ' ' VAL . 40.0 mtp180 -80.35 156.06 26.9 Favored 'General case' 0 C--N 1.35 0.596 0 O-C-N 119.003 -2.311 . . . . 234.38 112.497 174.358 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.37 -24.13 7.15 Favored 'General case' 0 C--N 1.356 0.866 0 C-N-CA 131.665 3.986 . . . . 67.0 118.633 -178.544 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 5.5 p -73.95 -19.67 60.6 Favored 'General case' 0 C--N 1.364 1.203 0 C-N-CA 129.862 3.265 . . . . 92.06 113.311 176.29 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 72.02 -66.4 0.3 Allowed 'General case' 0 C--N 1.367 1.344 0 C-N-CA 130.996 3.718 . . . . 241.64 115.213 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 169.72 173.14 0.05 Allowed 'General case' 0 N--CA 1.438 -1.06 0 C-N-CA 130.894 3.678 . . . . 115.06 103.02 177.18 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 24.9 p -170.86 -86.87 0.01 OUTLIER 'General case' 0 CA--C 1.51 -0.563 0 N-CA-C 102.096 -3.298 . . . . 89.7 102.096 -174.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -173.05 -63.79 0.02 OUTLIER 'General case' 0 N--CA 1.439 -0.996 0 C-N-CA 129.247 3.019 . . . . 131.17 103.982 -179.201 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -134.57 -68.37 0.54 Allowed 'General case' 0 C--N 1.355 0.829 0 O-C-N 121.329 -0.857 . . . . 115.97 109.661 179.78 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -95.9 -143.53 0.27 Allowed 'General case' 0 C--N 1.355 0.837 0 C-N-CA 125.443 1.497 . . . . 295.16 113.434 -175.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.6 m -31.33 -101.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.368 1.374 1 C-N-CA 135.034 5.333 . . . . 224.7 118.997 -176.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -116.5 127.29 54.42 Favored 'General case' 0 C--N 1.358 0.962 0 O-C-N 119.717 -1.865 . . . . 111.84 106.258 172.23 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.491 7.2 m-20 -123.0 -113.1 0.31 Allowed 'General case' 0 CA--C 1.48 -1.718 0 N-CA-C 100.476 -3.898 . . . . 210.5 100.476 165.448 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -48.45 -12.74 0.04 OUTLIER 'General case' 0 CA--C 1.557 1.217 0 N-CA-C 118.725 2.861 . . . . 72.77 118.725 168.011 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.2 m -61.68 -26.79 68.25 Favored 'General case' 0 C--N 1.373 1.618 0 C-N-CA 129.855 3.262 . . . . 87.74 114.856 -175.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . 0.355 1.4 pp -81.19 -19.98 42.17 Favored 'General case' 0 C--N 1.358 0.947 0 C-N-CA 126.554 1.942 . . . . 161.64 114.394 172.175 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.486 4.8 p -113.5 18.88 7.36 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.472 0 C-N-CA 128.429 2.691 . . . . 155.98 114.563 -175.342 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.8 mt -130.26 130.48 44.63 Favored 'General case' 0 N--CA 1.428 -1.544 0 N-CA-C 101.712 -3.44 . . . . 155.03 101.712 169.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 6.1 t -112.62 163.71 14.2 Favored 'General case' 0 C--N 1.329 -0.311 1 C-N-CA 134.8 5.24 . . . . 156.32 112.969 -178.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.6 p -57.04 123.32 7.99 Favored 'Isoleucine or valine' 0 CA--C 1.557 1.241 0 C-N-CA 127.258 2.223 . . . . 268.83 111.946 170.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.55 -3.01 86.51 Favored Glycine 0 C--N 1.362 1.999 0 O-C-N 120.711 -1.243 . . . . 172.39 115.68 -167.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.7 t0 -99.94 142.82 30.9 Favored 'General case' 0 C--N 1.369 1.422 0 N-CA-C 105.378 -2.082 . . . . 159.43 105.378 177.241 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.2 mt-10 -100.36 143.98 29.91 Favored 'General case' 0 N--CA 1.43 -1.466 0 N-CA-C 118.608 2.818 . . . . 194.78 118.608 -166.305 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 25.4 t -119.06 147.99 22.25 Favored 'Isoleucine or valine' 0 C--N 1.348 0.516 0 C-N-CA 127.677 2.391 . . . . 166.4 107.749 178.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 55.1 mt-10 -95.12 119.46 33.67 Favored 'General case' 0 C--N 1.357 0.925 0 N-CA-C 106.545 -1.65 . . . . 114.41 106.545 172.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.16 160.62 34.25 Favored 'General case' 0 CA--C 1.486 -1.504 0 N-CA-C 104.697 -2.334 . . . . 105.33 104.697 -169.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.5 ttmp? -100.2 136.24 40.41 Favored 'General case' 0 CA--C 1.503 -0.842 0 C-N-CA 125.807 1.643 . . . . 93.58 109.454 -166.738 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -94.19 105.15 17.15 Favored 'General case' 0 C--N 1.379 1.863 0 N-CA-C 106.325 -1.731 . . . . 129.39 106.325 -177.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 38.9 p -92.44 -46.1 7.82 Favored 'General case' 0 C--N 1.372 1.575 0 CA-C-N 114.171 -1.377 . . . . 155.62 113.859 -170.16 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -176.17 176.04 47.58 Favored Glycine 0 C--N 1.348 1.218 0 N-CA-C 110.431 -1.068 . . . . 52.87 110.431 -179.273 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.269 0.4 OUTLIER -125.15 142.62 41.43 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.369 0 C-N-CA 126.96 2.104 . . . . 127.12 107.893 -178.128 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -85.97 125.52 33.44 Favored 'General case' 0 C--N 1.361 1.081 0 N-CA-C 105.615 -1.995 . . . . 134.55 105.615 174.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 41.0 ptt180 -70.83 -29.93 66.21 Favored 'General case' 0 C--N 1.354 0.795 0 N-CA-C 116.941 2.2 . . . . 145.62 116.941 -172.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 61.5 mttm -71.89 -40.57 68.79 Favored 'General case' 0 C--N 1.359 0.993 0 C-N-CA 127.049 2.14 . . . . 115.07 115.488 -174.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.17 -12.44 15.38 Favored 'General case' 0 C--N 1.356 0.851 0 O-C-N 121.198 -0.939 . . . . 103.56 111.192 174.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . 0.357 64.8 mtp85 67.08 54.39 0.75 Allowed 'General case' 0 C--N 1.364 1.217 0 N-CA-C 117.575 2.435 . . . . 168.39 117.575 178.195 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -132.95 162.83 30.61 Favored 'General case' 0 N--CA 1.431 -1.383 0 C-N-CA 126.338 1.855 . . . . 71.7 108.084 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 1.3 pp -94.59 138.76 19.95 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 1 C-N-CA 132.897 4.479 . . . . 171.51 112.651 -175.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.4 m -113.51 131.1 56.18 Favored 'General case' 0 N--CA 1.43 -1.465 0 C-N-CA 128.949 2.9 . . . . 75.12 105.582 178.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.522 ' H ' ' HB2' ' A' ' 38' ' ' TYR . 0.0 OUTLIER -122.73 146.52 47.42 Favored 'General case' 0 CA--C 1.486 -1.514 0 CA-C-O 123.482 1.611 . . . . 127.79 106.886 175.435 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 50.9 m -106.66 136.59 46.19 Favored 'General case' 0 C--O 1.209 -1.032 0 N-CA-C 101.652 -3.462 . . . . 189.29 101.652 169.055 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.526 HG13 ' H ' ' A' ' 40' ' ' ARG . 5.4 m -49.29 -16.25 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.655 1 N-CA-C 125.83 5.493 . . . . 139.9 125.83 -174.503 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -68.75 -42.79 77.02 Favored 'General case' 0 C--N 1.32 -0.698 0 N-CA-C 121.733 3.975 . . . . 366.01 121.733 -146.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 78.64 -58.75 0.43 Allowed 'General case' 0 C--N 1.363 1.191 0 C-N-CA 126.551 1.941 . . . . 200.7 110.789 -171.314 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 63.4 tttp 164.98 123.06 0.01 OUTLIER 'General case' 0 C--N 1.348 0.53 0 C-N-CA 130.516 3.527 . . . . 433.73 105.908 172.648 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -148.83 -178.06 6.14 Favored 'General case' 0 C--N 1.359 0.992 0 O-C-N 120.416 -1.428 . . . . 485.87 110.892 178.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -89.53 0.1 57.14 Favored 'General case' 0 C--N 1.358 0.968 0 C-N-CA 126.842 2.057 . . . . 128.36 116.007 -175.145 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -85.06 62.33 7.44 Favored 'General case' 0 C--N 1.362 1.12 0 O-C-N 119.821 -1.799 . . . . 324.71 113.708 -178.637 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -148.63 18.31 1.03 Allowed 'General case' 0 C--N 1.356 0.882 0 C-N-CA 124.885 1.274 . . . . 295.51 111.249 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 31.6 tt0 -158.52 54.9 0.44 Allowed 'General case' 0 C--N 1.355 0.808 0 N-CA-C 105.706 -1.961 . . . . 223.82 105.706 179.485 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 19.7 ptpt . . . . . 0 C--O 1.266 1.94 0 N-CA-C 103.924 -2.621 . . . . 123.21 103.924 -176.553 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.532 ' HE3' ' HB3' ' A' ' 2' ' ' PHE . 0.1 OUTLIER . . . . . 0 N--CA 1.485 1.298 0 N-CA-C 112.393 0.516 . . . . 107.41 112.393 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.532 ' HB3' ' HE3' ' A' ' 1' ' ' MET . 47.3 t80 -52.62 -38.33 59.98 Favored 'General case' 0 C--N 1.355 0.819 0 C-N-CA 131.221 3.808 . . . . 254.42 117.534 -177.052 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -50.35 -34.05 22.55 Favored 'General case' 0 CA--C 1.574 1.898 0 C-N-CA 127.047 2.139 . . . . 212.44 114.077 -168.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 28.5 m120 -78.88 -52.48 8.24 Favored 'General case' 0 C--N 1.367 1.337 1 C-N-CA 135.927 5.691 . . . . 205.99 117.27 168.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -56.39 -33.91 66.21 Favored 'General case' 0 C--N 1.355 0.809 1 C-N-CA 134.876 5.27 . . . . 104.03 115.975 -176.825 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.3 p -50.02 -31.64 7.62 Favored 'Isoleucine or valine' 0 C--N 1.372 1.574 0 C-N-CA 130.591 3.556 . . . . 55.88 115.112 -176.028 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -71.27 -37.04 71.93 Favored 'General case' 0 C--N 1.355 0.844 0 C-N-CA 128.46 2.704 . . . . 50.11 114.409 173.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 16.2 tp -96.28 -39.12 9.81 Favored 'General case' 0 C--N 1.364 1.206 0 N-CA-C 117.017 2.228 . . . . 125.51 117.017 177.374 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -105.31 140.98 37.62 Favored 'General case' 0 C--N 1.365 1.262 0 C-N-CA 126.508 1.923 . . . . 70.45 115.16 -170.355 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 64.1 mmtt -105.65 154.66 20.13 Favored 'General case' 0 C--N 1.367 1.368 0 N-CA-C 115.854 1.798 . . . . 60.0 115.854 -175.371 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.4 mtmm -73.91 143.97 45.54 Favored 'General case' 0 C--N 1.363 1.193 0 C-N-CA 129.343 3.057 . . . . 147.71 111.518 167.021 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 103.47 -4.51 47.47 Favored Glycine 0 C--N 1.366 2.232 0 CA-C-O 123.906 1.837 . . . . 37.09 112.261 -171.736 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.06 164.93 12.31 Favored 'General case' 0 CA--C 1.505 -0.766 0 C-N-CA 129.581 3.152 . . . . 38.88 107.777 -177.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.3 pt -114.87 135.43 54.78 Favored 'Isoleucine or valine' 0 CA--C 1.507 -0.687 0 C-N-CA 124.811 1.244 . . . . 122.0 109.009 -177.267 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 24.5 t -131.53 144.74 36.61 Favored 'Isoleucine or valine' 0 CA--C 1.49 -1.34 0 N-CA-C 102.27 -3.233 . . . . 142.55 102.27 -171.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 12.7 t -104.74 127.9 52.67 Favored 'General case' 0 CA--C 1.495 -1.136 0 CA-C-O 122.616 1.198 . . . . 78.3 108.56 177.604 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -145.94 164.58 28.21 Favored Glycine 0 CA--C 1.48 -2.131 0 CA-C-N 114.788 -1.096 . . . . 132.34 112.461 -176.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -109.82 131.64 54.88 Favored 'General case' 0 CA--C 1.495 -1.151 0 N-CA-C 118.351 2.722 . . . . 178.17 118.351 -167.539 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.514 HG13 ' HA ' ' A' ' 58' ' ' VAL . 9.9 p -65.97 128.84 29.6 Favored 'Isoleucine or valine' 0 C--N 1.37 1.473 0 N-CA-C 115.648 1.721 . . . . 110.83 115.648 -174.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.527 ' HA ' HG23 ' A' ' 58' ' ' VAL 0.258 0.2 OUTLIER -138.65 -42.81 0.49 Allowed 'General case' 0 N--CA 1.493 1.718 1 N-CA-C 122.152 4.13 . . . . 113.29 122.152 -168.473 . . . . . . . . 5 4 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -157.02 154.56 29.79 Favored 'General case' 0 CA--C 1.499 -1.019 0 O-C-N 119.381 -2.074 . . . . 71.12 107.01 -175.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -116.45 147.2 19.99 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.634 0 N-CA-C 117.97 2.581 . . . . 135.68 117.97 -170.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.276 24.5 m-20 -105.94 168.79 8.89 Favored 'General case' 0 C--N 1.372 1.561 0 C-N-CA 128.381 2.672 . . . . 141.25 105.511 172.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.11 -43.05 66.58 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 116.913 2.19 . . . . 271.48 116.913 -178.014 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -106.99 0.66 23.86 Favored 'General case' 0 C--N 1.351 0.636 0 C-N-CA 129.223 3.009 . . . . 310.7 110.678 172.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -123.93 162.87 17.82 Favored Glycine 0 CA--C 1.467 -2.937 0 N-CA-C 117.751 1.86 . . . . 87.6 117.751 -154.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.18 145.37 35.58 Favored 'General case' 0 N--CA 1.427 -1.622 0 CA-C-O 124.413 2.054 . . . . 79.41 105.471 168.401 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 20.8 p -110.41 130.43 55.56 Favored 'General case' 0 N--CA 1.436 -1.172 0 CA-C-N 113.573 -1.649 . . . . 62.25 109.02 175.708 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -102.37 132.97 47.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.846 0 C-N-CA 126.609 1.964 . . . . 93.73 106.505 179.155 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 29.2 tt0 -84.11 121.24 27.17 Favored 'General case' 0 C--N 1.366 1.296 0 CA-C-O 122.936 1.35 . . . . 111.65 110.139 177.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -115.57 -10.24 11.91 Favored 'General case' 0 N--CA 1.447 -0.58 0 CA-C-N 113.441 -1.709 . . . . 122.61 110.024 -171.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.261 . . 85.49 165.79 0.09 Allowed 'General case' 0 C--N 1.364 1.213 0 C-N-CA 129.738 3.215 . . . . 108.78 119.185 177.922 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 7.7 t70 82.03 8.05 0.93 Allowed 'General case' 0 C--N 1.364 1.228 0 C-N-CA 130.539 3.535 . . . . 249.36 110.806 -174.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.67 -11.77 53.6 Favored Glycine 0 C--N 1.36 1.913 0 C-N-CA 125.676 1.608 . . . . 261.8 113.736 179.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.41 ' HB ' ' HG2' ' A' ' 1' ' ' MET . 5.9 t -100.31 143.21 14.25 Favored 'Isoleucine or valine' 0 C--N 1.362 1.132 0 C-N-CA 125.103 1.361 . . . . 162.68 110.927 -179.038 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -113.78 154.38 27.49 Favored 'General case' 0 C--N 1.358 0.961 0 C-N-CA 125.732 1.613 . . . . 124.5 112.097 179.062 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -100.64 -163.72 28.14 Favored Glycine 0 C--N 1.363 2.077 0 C-N-CA 125.176 1.369 . . . . 66.69 110.187 171.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -105.92 138.24 42.44 Favored 'General case' 0 C--N 1.364 1.238 0 O-C-N 120.099 -1.824 . . . . 130.64 114.352 178.173 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -133.19 132.23 41.32 Favored 'General case' 0 N--CA 1.444 -0.733 0 N-CA-C 102.507 -3.146 . . . . 173.09 102.507 -179.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.411 ' H ' ' CG1' ' A' ' 80' ' ' VAL . 66.4 mtp180 -82.0 156.05 24.86 Favored 'General case' 0 C--N 1.348 0.505 0 C-N-CA 127.687 2.395 . . . . 234.38 113.964 174.617 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -52.39 -25.44 9.84 Favored 'General case' 0 C--N 1.361 1.069 0 C-N-CA 129.853 3.261 . . . . 67.0 119.034 179.397 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.9 p -71.55 -32.41 68.1 Favored 'General case' 0 C--N 1.362 1.133 1 C-N-CA 132.923 4.489 . . . . 92.06 112.045 174.277 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . 0.258 45.8 mt-10 71.96 -70.34 0.16 Allowed 'General case' 0 C--N 1.356 0.879 1 C-N-CA 133.492 4.717 . . . . 241.64 115.746 174.312 . . . . . . . . 3 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -158.36 69.17 0.5 Allowed 'General case' 0 N--CA 1.437 -1.075 0 N-CA-C 104.184 -2.525 . . . . 115.06 104.184 178.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.1 p -96.9 -140.98 0.28 Allowed 'General case' 0 C--N 1.355 0.843 0 C-N-CA 125.226 1.41 . . . . 89.7 109.559 -179.685 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 66.7 ttp85 -178.9 -54.13 0.01 OUTLIER 'General case' 0 C--N 1.351 0.639 0 N-CA-C 105.515 -2.032 . . . . 131.17 105.515 -178.007 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 -90.08 51.73 2.11 Favored 'General case' 0 C--N 1.361 1.107 0 C-N-CA 127.43 2.292 . . . . 115.97 110.516 175.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 3.6 mmp_? 59.65 -78.92 0.02 OUTLIER 'General case' 0 C--N 1.359 1.004 0 C-N-CA 129.656 3.182 . . . . 295.16 117.439 -179.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . 0.286 13.0 p -81.62 -67.02 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.359 1.021 0 C-N-CA 127.996 2.518 . . . . 224.7 114.841 -175.304 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 53.6 mt-10 -116.96 128.93 55.68 Favored 'General case' 0 C--N 1.365 1.277 0 CA-C-N 121.428 1.922 . . . . 111.84 110.279 176.091 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 30.2 t70 -118.35 -114.36 0.33 Allowed 'General case' 0 C--N 1.375 1.686 1 N-CA-C 98.713 -4.551 . . . . 210.5 98.713 164.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -54.46 -10.76 0.44 Allowed 'General case' 0 N--CA 1.439 -0.976 1 C-N-CA 134.161 4.985 . . . . 72.77 116.459 162.176 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 3.3 m -58.86 -25.8 63.63 Favored 'General case' 0 C--N 1.376 1.758 0 C-N-CA 130.121 3.368 . . . . 87.74 115.521 -165.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -76.76 -20.77 56.11 Favored 'General case' 0 CA--C 1.553 1.091 0 C-N-CA 126.411 1.884 . . . . 161.64 111.944 170.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.441 2.8 p -116.62 18.21 7.3 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.451 0 C-N-CA 126.399 1.88 . . . . 155.98 114.6 -179.288 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 1.5 pp -132.28 132.39 42.96 Favored 'General case' 0 N--CA 1.437 -1.085 0 CA-C-O 126.559 3.076 . . . . 155.03 106.467 166.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 53.3 p -111.24 162.8 14.6 Favored 'General case' 0 C--N 1.325 -0.462 2 C-N-CA 134.946 5.299 . . . . 156.32 115.991 -172.217 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.527 HG23 ' HA ' ' A' ' 20' ' ' THR . 2.7 p -46.36 123.7 1.11 Allowed 'Isoleucine or valine' 0 C--N 1.364 1.239 0 C-N-CA 129.057 2.943 . . . . 268.83 115.092 171.015 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.29 -3.64 64.11 Favored Glycine 0 C--N 1.362 2.006 0 C-N-CA 125.5 1.524 . . . . 172.39 113.531 -174.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -84.82 130.51 34.66 Favored 'General case' 0 C--N 1.367 1.364 0 C-N-CA 126.334 1.854 . . . . 159.43 107.568 177.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -105.18 149.84 25.58 Favored 'General case' 0 N--CA 1.443 -0.778 0 N-CA-C 115.785 1.772 . . . . 194.78 115.785 -174.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 11.5 p -136.91 158.81 36.96 Favored 'Isoleucine or valine' 0 C--N 1.351 0.648 0 C-N-CA 127.248 2.219 . . . . 166.4 106.362 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -95.18 122.4 37.82 Favored 'General case' 0 C--N 1.358 0.951 0 C-N-CA 126.595 1.958 . . . . 114.41 106.563 176.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.22 169.66 15.09 Favored 'General case' 0 CA--C 1.477 -1.855 0 N-CA-C 102.346 -3.205 . . . . 105.33 102.346 -166.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 24.7 tptt -99.03 136.35 39.13 Favored 'General case' 0 CA--C 1.503 -0.847 0 N-CA-C 104.842 -2.281 . . . . 93.58 104.842 -170.729 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.407 ' CE1' HG21 ' A' ' 76' ' ' ILE . 0.5 OUTLIER -96.49 103.72 15.65 Favored 'General case' 0 C--N 1.368 1.394 0 N-CA-C 102.002 -3.332 . . . . 129.39 102.002 -177.1 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . 0.281 12.9 t -107.39 -55.77 2.3 Favored 'General case' 0 C--N 1.371 1.511 0 N-CA-C 112.829 0.677 . . . . 155.62 112.829 -164.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -148.9 165.12 29.24 Favored Glycine 0 C--N 1.351 1.368 0 N-CA-C 110.498 -1.041 . . . . 52.87 110.498 -178.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.474 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.298 0.5 OUTLIER -124.41 142.29 41.7 Favored 'Isoleucine or valine' 0 CA--C 1.502 -0.904 0 C-N-CA 126.001 1.72 . . . . 127.12 107.536 178.774 . . . . . . . . 4 4 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 -92.37 128.17 38.12 Favored 'General case' 0 C--N 1.352 0.693 0 N-CA-C 106.709 -1.589 . . . . 134.55 106.709 175.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.581 ' HD3' ' H ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -70.68 -20.59 62.68 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 125.641 1.576 . . . . 145.62 114.726 -178.967 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 16.3 tppt? -71.46 -40.62 70.19 Favored 'General case' 0 C--N 1.366 1.314 0 C-N-CA 127.641 2.376 . . . . 115.07 115.493 -179.668 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -107.27 -12.94 15.25 Favored 'General case' 0 C--N 1.363 1.153 0 O-C-N 120.349 -1.47 . . . . 103.56 109.919 175.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 41.8 mmt180 63.32 46.41 4.47 Favored 'General case' 0 C--N 1.372 1.576 0 C-N-CA 128.109 2.564 . . . . 168.39 111.759 -175.481 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -133.97 162.68 31.39 Favored 'General case' 0 N--CA 1.417 -2.121 0 C-N-CA 128.633 2.773 . . . . 71.7 109.19 -170.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.531 HG23 ' CG ' ' A' ' 2' ' ' PHE 0.266 8.9 pt -95.23 140.92 15.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.851 1 C-N-CA 134.106 4.963 . . . . 171.51 115.874 -173.016 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 56.5 m -111.66 130.77 55.66 Favored 'General case' 0 N--CA 1.432 -1.354 0 N-CA-C 103.333 -2.84 . . . . 75.12 103.333 175.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -127.17 145.1 50.88 Favored 'General case' 0 N--CA 1.44 -0.949 0 N-CA-C 107.449 -1.315 . . . . 127.79 107.449 179.24 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 43.1 t -106.62 123.24 47.82 Favored 'General case' 0 C--O 1.217 -0.638 0 N-CA-C 103.907 -2.627 . . . . 189.29 103.907 170.45 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.411 ' CG1' ' H ' ' A' ' 40' ' ' ARG 0.379 11.7 m -49.23 -17.64 0.37 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 N-CA-C 127.552 6.13 . . . . 139.9 127.552 -167.081 . . . . . . . . 4 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 7.9 mmp_? -81.54 -42.31 20.36 Favored 'General case' 0 C--N 1.329 -0.322 1 C-N-CA 133.215 4.606 . . . . 366.01 118.914 -163.476 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 90.3 11.32 0.06 Allowed 'General case' 0 C--N 1.362 1.132 0 C-N-CA 129.384 3.074 . . . . 200.7 114.746 -176.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 22.4 pttm -139.08 160.95 38.57 Favored 'General case' 0 C--N 1.356 0.85 0 C-N-CA 126.754 2.022 . . . . 433.73 107.288 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -82.98 163.05 21.26 Favored 'General case' 0 C--N 1.358 0.978 0 C-N-CA 126.599 1.96 . . . . 485.87 113.298 179.207 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -122.65 -141.28 0.32 Allowed 'General case' 0 C--N 1.36 1.063 0 O-C-N 120.764 -1.21 . . . . 128.36 108.685 177.528 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.66 16.74 1.99 Allowed 'General case' 0 C--N 1.361 1.092 0 O-C-N 120.004 -1.685 . . . . 324.71 111.773 178.031 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -146.78 15.09 1.21 Allowed 'General case' 0 C--N 1.348 0.512 0 N-CA-C 106.115 -1.809 . . . . 295.51 106.115 174.622 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 178.34 158.37 0.49 Allowed 'General case' 0 C--N 1.361 1.083 0 N-CA-C 102.736 -3.061 . . . . 223.82 102.736 -176.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 94.3 mttt . . . . . 0 C--O 1.263 1.768 0 CA-C-N 120.64 1.564 . . . . 123.21 107.975 -178.407 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.735 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.484 -1.562 0 N-CA-C 106.794 -1.558 . . . . 107.41 106.794 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.48 ' CZ ' HG11 ' A' ' 69' ' ' VAL . 37.5 t80 -49.75 -34.71 19.88 Favored 'General case' 0 CA--C 1.469 -2.171 1 C-N-CA 135.628 5.571 . . . . 254.42 115.52 -176.808 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -50.84 -49.93 57.84 Favored 'General case' 0 CA--C 1.59 2.512 0 C-N-CA 124.479 1.112 . . . . 212.44 113.249 -179.552 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.2 t30 -80.01 -52.74 7.46 Favored 'General case' 0 C--N 1.378 1.836 1 C-N-CA 131.997 4.119 . . . . 205.99 116.634 163.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.408 ' HB3' ' HA ' ' A' ' 2' ' ' PHE . 40.9 t90 -52.63 -32.05 39.85 Favored 'General case' 0 C--N 1.373 1.593 1 C-N-CA 133.269 4.628 . . . . 104.03 116.28 -174.616 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 4.8 p -49.89 -31.13 6.71 Favored 'Isoleucine or valine' 0 C--N 1.373 1.624 0 C-N-CA 130.786 3.634 . . . . 55.88 114.189 179.532 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -72.32 -30.62 64.94 Favored 'General case' 0 C--N 1.363 1.163 0 C-N-CA 126.19 1.796 . . . . 50.11 114.559 172.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 42.7 tp -96.42 -39.78 9.42 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 115.923 1.823 . . . . 125.51 115.923 176.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -102.41 145.32 29.7 Favored 'General case' 0 C--N 1.361 1.091 0 O-C-N 120.669 -1.269 . . . . 70.45 114.312 -170.235 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 48.5 mmtm -106.89 154.6 20.8 Favored 'General case' 0 C--N 1.361 1.069 0 CA-C-O 123.674 1.702 . . . . 60.0 115.476 -173.555 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 53.7 mtmt -73.78 125.5 28.26 Favored 'General case' 0 C--N 1.363 1.162 0 O-C-N 120.035 -1.666 . . . . 147.71 109.499 165.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.65 -4.76 39.94 Favored Glycine 0 C--N 1.36 1.889 0 C-N-CA 123.916 0.769 . . . . 37.09 114.14 -162.614 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -89.5 161.37 16.26 Favored 'General case' 0 C--N 1.35 0.615 0 C-N-CA 125.81 1.644 . . . . 38.88 108.627 177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 44.8 pt -116.66 135.42 57.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.435 0 O-C-N 119.611 -1.931 . . . . 122.0 111.974 -176.217 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 17.4 m -142.41 151.64 18.11 Favored 'Isoleucine or valine' 0 CA--C 1.483 -1.608 0 O-C-N 119.42 -2.05 . . . . 142.55 106.1 -171.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 7.5 p -95.53 127.28 41.43 Favored 'General case' 0 CA--C 1.506 -0.747 0 CA-C-O 121.051 0.453 . . . . 78.3 110.049 177.716 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.07 151.18 17.07 Favored Glycine 0 CA--C 1.475 -2.466 0 N-CA-C 110.184 -1.166 . . . . 132.34 110.184 176.224 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.255 22.7 pttm -110.94 130.06 55.7 Favored 'General case' 0 CA--C 1.485 -1.526 0 C-N-CA 125.208 1.403 . . . . 178.17 114.161 -175.674 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.34 128.46 26.81 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.026 0 N-CA-C 115.964 1.838 . . . . 110.83 115.964 -171.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 75.9 p -129.84 -54.1 1.14 Allowed 'General case' 0 C--N 1.369 1.438 0 N-CA-C 118.265 2.691 . . . . 113.29 118.265 -176.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.72 134.01 36.69 Favored 'General case' 0 CA--C 1.493 -1.243 0 N-CA-C 104.556 -2.387 . . . . 71.12 104.556 -172.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 4.0 p -118.23 141.03 39.41 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.684 0 N-CA-C 115.863 1.801 . . . . 135.68 115.863 -169.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.262 1.4 m-20 -105.87 169.32 8.55 Favored 'General case' 0 C--N 1.367 1.328 0 C-N-CA 128.19 2.596 . . . . 141.25 104.806 170.117 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -54.08 -44.09 70.88 Favored 'General case' 0 N--CA 1.48 1.072 0 O-C-N 119.348 -2.095 . . . . 271.48 116.555 179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 26.0 pttm -107.45 -0.12 22.47 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 128.241 2.616 . . . . 310.7 110.491 172.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -111.94 145.03 17.81 Favored Glycine 0 CA--C 1.473 -2.538 0 C-N-CA 124.477 1.037 . . . . 87.6 114.218 -162.524 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -142.74 136.69 29.17 Favored 'General case' 0 CA--C 1.487 -1.456 0 N-CA-C 105.222 -2.14 . . . . 79.41 105.222 165.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -102.49 118.61 37.24 Favored 'General case' 0 N--CA 1.473 0.697 0 N-CA-C 107.429 -1.323 . . . . 62.25 107.429 172.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -101.78 144.57 13.03 Favored 'Isoleucine or valine' 0 C--N 1.354 0.795 0 N-CA-C 107.876 -1.157 . . . . 93.73 107.876 -174.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 11.0 tp10 -87.19 126.19 34.64 Favored 'General case' 0 C--N 1.358 0.957 0 CA-C-O 123.256 1.503 . . . . 111.65 111.248 177.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.403 ' HB3' ' CG ' ' A' ' 1' ' ' MET . 0.6 OUTLIER -110.95 -31.28 7.2 Favored 'General case' 0 N--CA 1.438 -1.026 0 C-N-CA 128.935 2.894 . . . . 122.61 109.906 -175.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.263 . . 96.71 163.98 0.02 OUTLIER 'General case' 0 C--N 1.369 1.416 0 C-N-CA 129.738 3.215 . . . . 108.78 116.286 177.852 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . 0.257 7.7 t70 84.46 10.7 0.38 Allowed 'General case' 0 C--N 1.363 1.195 0 C-N-CA 131.123 3.769 . . . . 249.36 110.67 -173.721 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 110.69 -30.82 7.8 Favored Glycine 0 C--N 1.363 2.065 0 C-N-CA 125.676 1.608 . . . . 261.8 113.785 176.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.418 ' CG2' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER -92.74 143.05 12.22 Favored 'Isoleucine or valine' 0 C--N 1.356 0.874 0 C-N-CA 126.699 2.0 . . . . 162.68 111.514 -178.196 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 29.2 mt-10 -116.67 155.16 29.31 Favored 'General case' 0 C--N 1.351 0.655 0 C-N-CA 128.717 2.807 . . . . 124.5 110.317 -173.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.523 ' HA2' ' O ' ' A' ' 76' ' ' ILE . . . -117.06 -161.67 12.32 Favored Glycine 0 C--N 1.368 2.34 0 CA-C-N 118.783 0.719 . . . . 66.69 111.366 175.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . 0.251 0.2 OUTLIER -112.16 139.18 47.91 Favored 'General case' 0 C--N 1.354 0.762 0 N-CA-C 119.141 3.015 . . . . 130.64 119.141 -172.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.511 ' HA ' HG22 ' A' ' 80' ' ' VAL . 9.3 tt -130.03 114.63 16.03 Favored 'General case' 0 N--CA 1.444 -0.736 0 N-CA-C 107.245 -1.391 . . . . 173.09 107.245 171.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.2 mpt_? -81.48 135.53 35.62 Favored 'General case' 0 C--N 1.371 1.521 0 C-N-CA 125.717 1.607 . . . . 234.38 113.738 176.215 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -70.13 -25.91 63.7 Favored 'General case' 0 C--N 1.372 1.56 0 C-N-CA 125.801 1.64 . . . . 67.0 115.05 178.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -68.96 -18.77 64.12 Favored 'General case' 0 C--N 1.368 1.397 0 C-N-CA 128.788 2.835 . . . . 92.06 115.042 174.035 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -110.65 -38.18 5.24 Favored 'General case' 0 C--N 1.355 0.845 0 C-N-CA 126.345 1.858 . . . . 241.64 112.143 -178.253 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -76.83 96.45 4.29 Favored 'General case' 0 C--N 1.364 1.233 0 C-N-CA 127.373 2.269 . . . . 115.06 113.253 -179.434 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.5 ' HA ' ' H ' ' A' ' 52' ' ' ALA . 11.0 m 167.01 -155.87 0.0 OUTLIER 'General case' 0 C--N 1.36 1.058 1 N-CA-C 99.986 -4.079 . . . . 89.7 99.986 -177.753 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 47.1 tpt85 -154.77 55.8 0.67 Allowed 'General case' 0 C--N 1.351 0.632 0 N-CA-C 105.757 -1.942 . . . . 131.17 105.757 -175.84 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 45.0 m-20 83.23 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.361 1.068 0 C-N-CA 128.131 2.573 . . . . 115.97 110.607 -174.554 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.271 26.4 mmm180 69.35 -119.5 0.14 Allowed 'General case' 0 C--N 1.359 0.995 0 C-N-CA 127.54 2.336 . . . . 295.16 114.068 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.9 t -114.56 -94.5 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.356 0.866 0 N-CA-C 106.37 -1.715 . . . . 224.7 106.37 179.119 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 17.2 pt-20 -112.89 128.97 56.61 Favored 'General case' 0 CA--C 1.563 1.478 0 N-CA-C 109.408 -0.59 . . . . 111.84 109.408 178.456 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . 0.318 1.9 m-20 -118.51 -111.84 0.34 Allowed 'General case' 0 CA--C 1.482 -1.647 2 C-N-CA 134.042 4.937 . . . . 210.5 98.216 172.68 . . . . . . . . 3 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . 0.63 ' HB2' HD13 ' A' ' 56' ' ' LEU . . . -46.96 -13.57 0.03 OUTLIER 'General case' 0 CA--C 1.533 0.311 0 N-CA-C 119.165 3.024 . . . . 72.77 119.165 172.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -78.31 -39.49 39.61 Favored 'General case' 0 C--N 1.377 1.792 0 CA-C-N 121.632 2.015 . . . . 87.74 110.737 168.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 44.3 tp -81.65 -42.04 20.55 Favored 'General case' 0 C--N 1.356 0.857 0 C-N-CA 126.355 1.862 . . . . 161.64 115.165 174.165 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.514 0.9 OUTLIER -112.97 17.62 7.78 Favored 'Isoleucine or valine' 0 CA--C 1.476 -1.888 0 N-CA-C 116.444 2.016 . . . . 155.98 116.444 -173.013 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.63 HD13 ' HB2' ' A' ' 52' ' ' ALA . 2.5 mp -131.67 133.62 45.07 Favored 'General case' 0 C--N 1.36 1.062 0 C-N-CA 112.762 -3.575 . . . . 155.03 106.011 161.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 62.0 p -93.59 161.6 14.29 Favored 'General case' 0 N--CA 1.444 -0.725 1 C-N-CA 132.814 4.446 . . . . 156.32 118.287 -172.263 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 22.0 t -58.33 128.26 18.72 Favored 'Isoleucine or valine' 0 C--N 1.359 1.012 1 C-N-CA 132.242 4.217 . . . . 268.83 112.658 174.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.58 -4.61 83.88 Favored Glycine 0 C--N 1.358 1.78 0 C-N-CA 128.05 2.738 . . . . 172.39 114.521 -177.236 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -97.12 140.18 32.01 Favored 'General case' 0 C--N 1.365 1.249 0 C-N-CA 125.774 1.629 . . . . 159.43 107.667 178.172 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -108.9 150.06 28.25 Favored 'General case' 0 C--N 1.353 0.757 0 N-CA-C 116.804 2.149 . . . . 194.78 116.804 -173.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 2.7 m -139.56 156.13 26.08 Favored 'Isoleucine or valine' 0 C--N 1.359 1.008 0 C-N-CA 127.001 2.12 . . . . 166.4 107.559 -179.638 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -94.83 125.86 39.76 Favored 'General case' 0 C--N 1.366 1.318 0 C-N-CA 127.175 2.19 . . . . 114.41 112.701 -177.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -131.9 171.03 14.06 Favored 'General case' 0 CA--C 1.49 -1.329 0 N-CA-C 105.827 -1.916 . . . . 105.33 105.827 -169.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.2 tttp -99.05 135.76 39.99 Favored 'General case' 0 CA--C 1.499 -1.011 0 N-CA-C 106.295 -1.743 . . . . 93.58 106.295 -174.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -95.7 105.33 17.31 Favored 'General case' 0 C--N 1.364 1.223 0 N-CA-C 105.038 -2.208 . . . . 129.39 105.038 -176.737 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 15.3 t -150.04 15.97 0.84 Allowed 'General case' 0 N--CA 1.495 1.776 0 N-CA-C 116.788 2.144 . . . . 155.62 116.788 -167.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.24 136.28 4.08 Favored Glycine 0 C--N 1.351 1.364 0 N-CA-C 109.948 -1.261 . . . . 52.87 109.948 175.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.48 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.436 0.5 OUTLIER -128.33 143.51 40.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 O-C-N 119.902 -1.94 . . . . 127.12 112.388 -179.721 . . . . . . . . 4 4 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 48.3 m-20 -95.13 126.66 40.61 Favored 'General case' 0 C--N 1.356 0.855 0 N-CA-C 106.944 -1.502 . . . . 134.55 106.944 170.398 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 39.8 ptt85 -70.54 -25.93 63.33 Favored 'General case' 0 C--N 1.361 1.08 0 C-N-CA 126.526 1.93 . . . . 145.62 114.637 -179.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.8 tptt -81.36 -31.68 33.27 Favored 'General case' 0 C--N 1.36 1.049 0 C-N-CA 128.222 2.609 . . . . 115.07 113.27 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 83.3 m-20 -99.55 -14.6 18.96 Favored 'General case' 0 C--N 1.366 1.299 0 O-C-N 120.894 -1.129 . . . . 103.56 113.391 -179.69 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 79.0 mtp180 59.96 40.21 19.18 Favored 'General case' 0 C--N 1.37 1.457 0 C-N-CA 127.511 2.324 . . . . 168.39 112.919 -175.009 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . . . . . . . . . . . -135.76 162.31 33.12 Favored 'General case' 0 N--CA 1.419 -1.983 0 C-N-CA 128.825 2.85 . . . . 71.7 111.505 -177.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.735 ' H ' ' HE1' ' A' ' 1' ' ' MET 0.422 1.5 pp -96.9 141.53 15.47 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 1 C-N-CA 137.425 6.29 . . . . 171.51 116.912 179.343 . . . . . . . . 4 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 75.1 m -110.62 136.59 49.48 Favored 'General case' 0 C--O 1.25 1.113 1 C-N-CA 132.659 4.384 . . . . 75.12 104.411 173.484 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.516 HD21 HD13 ' A' ' 76' ' ' ILE . 5.1 mt -129.7 146.93 51.44 Favored 'General case' 0 N--CA 1.436 -1.128 0 CA-C-O 123.25 1.5 . . . . 127.79 109.436 -177.3 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 36.4 p -106.52 122.21 45.84 Favored 'General case' 0 C--O 1.22 -0.488 0 N-CA-C 105.145 -2.168 . . . . 189.29 105.145 169.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.511 HG22 ' HA ' ' A' ' 39' ' ' LEU 0.428 0.0 OUTLIER -50.09 -17.57 0.47 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.1 2 N-CA-C 126.079 5.585 . . . . 139.9 126.079 -166.001 . . . . . . . . 5 4 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 11.7 ttm180 -82.41 -34.39 28.3 Favored 'General case' 0 C--N 1.319 -0.738 0 C-N-CA 131.141 3.776 . . . . 366.01 119.795 -162.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 104.77 -55.76 0.0 OUTLIER 'General case' 0 C--N 1.361 1.101 0 C-N-CA 130.092 3.357 . . . . 200.7 107.908 -172.514 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 tttp -167.46 163.23 14.88 Favored 'General case' 0 N--CA 1.445 -0.703 0 N-CA-C 102.099 -3.297 . . . . 433.73 102.099 177.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t0 -117.06 71.96 0.81 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 125.425 1.49 . . . . 485.87 108.315 -179.481 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.1 pt-20 -119.61 43.37 2.65 Favored 'General case' 0 C--N 1.355 0.808 0 C-N-CA 125.449 1.5 . . . . 128.36 109.538 -179.326 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.264 . . 78.65 55.52 0.03 OUTLIER 'General case' 0 C--N 1.356 0.858 0 C-N-CA 127.354 2.262 . . . . 324.71 113.661 -178.002 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -100.04 -37.48 8.97 Favored 'General case' 0 C--N 1.358 0.945 0 C-N-CA 126.255 1.822 . . . . 295.51 109.874 177.246 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 51.9 mt-10 -144.05 37.72 1.29 Allowed 'General case' 0 C--N 1.361 1.076 0 C-N-CA 126.005 1.722 . . . . 223.82 108.508 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.257 1.491 0 N-CA-C 103.324 -2.843 . . . . 123.21 103.324 176.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.452 ' HE2' ' HA ' ' A' ' 75' ' ' ALA . 18.3 ptm . . . . . 0 N--CA 1.495 1.795 0 N-CA-C 110.215 -0.291 . . . . 107.41 110.215 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.468 ' CE2' HG22 ' A' ' 6' ' ' VAL . 0.0 OUTLIER -49.98 -28.88 7.5 Favored 'General case' 0 C--N 1.367 1.354 1 C-N-CA 131.919 4.087 . . . . 254.42 114.537 176.807 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -49.09 -34.24 13.43 Favored 'General case' 0 CA--C 1.59 2.483 0 C-N-CA 127.639 2.376 . . . . 212.44 112.355 -170.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -77.24 -34.42 55.91 Favored 'General case' 0 C--N 1.371 1.539 1 C-N-CA 137.493 6.317 . . . . 205.99 116.554 172.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -73.11 -33.69 65.71 Favored 'General case' 0 C--N 1.35 0.591 1 C-N-CA 133.945 4.898 . . . . 104.03 115.668 -171.616 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.468 HG22 ' CE2' ' A' ' 2' ' ' PHE . 0.3 OUTLIER -50.61 -31.14 9.0 Favored 'Isoleucine or valine' 0 C--N 1.378 1.81 0 C-N-CA 130.977 3.711 . . . . 55.88 115.009 -176.154 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -74.21 -36.98 64.01 Favored 'General case' 0 N--CA 1.447 -0.62 0 C-N-CA 129.141 2.976 . . . . 50.11 113.645 174.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 2.5 mm? -95.69 -39.69 9.76 Favored 'General case' 0 C--N 1.365 1.264 0 C-N-CA 124.966 1.307 . . . . 125.51 113.872 176.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -127.06 125.63 41.67 Favored 'General case' 0 C--N 1.357 0.902 0 C-N-CA 128.227 2.611 . . . . 70.45 110.407 -176.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -91.93 142.85 27.1 Favored 'General case' 0 C--N 1.352 0.691 0 C-N-CA 130.42 3.488 . . . . 60.0 118.039 -175.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.5 ttpp -72.91 143.94 47.53 Favored 'General case' 0 C--N 1.369 1.417 0 C-N-CA 129.879 3.272 . . . . 147.71 113.256 176.124 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 101.88 -4.07 52.78 Favored Glycine 0 C--N 1.375 2.74 0 CA-C-O 123.079 1.377 . . . . 37.09 114.417 -174.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -103.15 -173.41 2.31 Favored 'General case' 0 CA--C 1.497 -1.075 0 C-N-CA 129.845 3.258 . . . . 38.88 109.197 -174.417 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.56 HD13 ' H ' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -112.41 137.29 45.77 Favored 'Isoleucine or valine' 0 CA--C 1.513 -0.458 0 C-N-CA 128.111 2.564 . . . . 122.0 111.855 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 3.6 m -135.3 145.36 31.99 Favored 'Isoleucine or valine' 0 CA--C 1.492 -1.288 0 N-CA-C 103.117 -2.92 . . . . 142.55 103.117 -176.079 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 5.7 p -95.65 129.0 42.99 Favored 'General case' 0 C--N 1.347 0.49 0 C-N-CA 125.003 1.321 . . . . 78.3 109.105 -176.679 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -148.25 167.36 29.02 Favored Glycine 0 C--N 1.368 2.323 0 C-N-CA 117.004 -2.522 . . . . 132.34 114.692 176.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.252 52.1 pttt -120.46 141.62 50.01 Favored 'General case' 0 CA--C 1.499 -1.013 0 N-CA-C 115.89 1.811 . . . . 178.17 115.89 -178.053 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.7 t -69.3 127.58 31.39 Favored 'Isoleucine or valine' 0 C--N 1.376 1.754 0 N-CA-C 114.119 1.155 . . . . 110.83 114.119 -177.359 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.426 ' HA ' HG23 ' A' ' 58' ' ' VAL . 12.4 t -129.35 -7.49 4.74 Favored 'General case' 0 C--N 1.355 0.81 0 O-C-N 121.026 -1.046 . . . . 113.29 113.424 -178.067 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -169.75 154.62 5.47 Favored 'General case' 0 CA--C 1.493 -1.242 0 N-CA-C 105.049 -2.204 . . . . 71.12 105.049 -178.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 29.9 m -117.05 141.15 36.68 Favored 'Isoleucine or valine' 0 C--N 1.342 0.281 0 CA-C-O 121.6 0.714 . . . . 135.68 109.403 179.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . 0.274 2.6 m-20 -106.18 168.69 8.97 Favored 'General case' 0 C--N 1.362 1.113 0 N-CA-C 106.094 -1.817 . . . . 141.25 106.094 174.571 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -58.35 -39.13 78.7 Favored 'General case' 0 N--CA 1.48 1.045 0 O-C-N 119.571 -1.956 . . . . 271.48 114.983 178.845 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.4 ptmt -106.43 0.66 24.98 Favored 'General case' 0 C--N 1.352 0.687 0 C-N-CA 128.863 2.865 . . . . 310.7 110.849 172.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -127.38 169.52 19.2 Favored Glycine 0 C--N 1.365 2.143 0 N-CA-C 119.5 2.56 . . . . 87.6 119.5 -158.211 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . . . . . . . . . . . -141.14 131.06 24.44 Favored 'General case' 0 N--CA 1.427 -1.618 1 N-CA-C 99.606 -4.22 . . . . 79.41 99.606 168.018 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -105.92 120.81 42.71 Favored 'General case' 0 C--O 1.237 0.424 0 N-CA-C 105.145 -2.168 . . . . 62.25 105.145 176.095 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 6.7 p -108.27 139.95 28.62 Favored 'Isoleucine or valine' 0 CA--C 1.503 -0.833 0 C-N-CA 124.919 1.287 . . . . 93.73 111.29 -171.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -98.33 115.93 29.48 Favored 'General case' 0 C--N 1.362 1.136 0 C-N-CA 126.613 1.965 . . . . 111.65 107.971 175.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.72 -27.61 18.84 Favored 'General case' 0 N--CA 1.447 -0.592 0 C-N-CA 127.806 2.442 . . . . 122.61 111.854 -174.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.304 . . 89.31 176.07 0.02 OUTLIER 'General case' 0 C--N 1.36 1.054 0 C-N-CA 127.727 2.411 . . . . 108.78 113.511 -179.564 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 17.9 t70 73.23 3.79 4.72 Favored 'General case' 0 C--N 1.368 1.394 0 C-N-CA 127.114 2.166 . . . . 249.36 111.905 -171.118 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 97.99 7.79 56.03 Favored Glycine 0 C--N 1.365 2.157 0 C-N-CA 126.996 2.236 . . . . 261.8 113.234 -170.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . 0.287 0.8 OUTLIER -101.97 138.32 26.64 Favored 'Isoleucine or valine' 0 C--N 1.369 1.441 0 O-C-N 119.84 -1.976 . . . . 162.68 113.494 -177.532 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -127.83 154.59 45.28 Favored 'General case' 0 C--N 1.37 1.482 0 O-C-N 120.122 -1.611 . . . . 124.5 110.768 179.782 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -151.94 -160.67 9.67 Favored Glycine 0 C--N 1.37 2.463 0 CA-C-N 119.712 1.142 . . . . 66.69 113.429 -173.452 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -105.35 139.16 40.41 Favored 'General case' 0 C--N 1.377 1.796 0 C-N-CA 128.252 2.621 . . . . 130.64 113.493 177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 2.4 tm? -131.62 132.63 44.2 Favored 'General case' 0 C--N 1.347 0.488 0 N-CA-C 104.25 -2.5 . . . . 173.09 104.25 175.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 44.1 mtp85 -79.49 141.81 36.39 Favored 'General case' 0 C--N 1.358 0.964 0 O-C-N 119.155 -2.216 . . . . 234.38 115.019 -178.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -51.83 -23.88 5.36 Favored 'General case' 0 C--N 1.374 1.631 1 C-N-CA 133.337 4.655 . . . . 67.0 118.566 -175.5 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.7 t -73.18 -19.72 61.04 Favored 'General case' 0 C--N 1.358 0.975 0 C-N-CA 125.209 1.404 . . . . 92.06 112.101 171.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.455 ' HB3' HD22 ' A' ' 56' ' ' LEU . 31.3 mt-10 34.61 56.29 0.7 Allowed 'General case' 0 C--N 1.376 1.749 1 C-N-CA 133.153 4.581 . . . . 241.64 118.157 174.547 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . 79.19 -59.07 0.39 Allowed 'General case' 0 C--N 1.359 1.004 0 C-N-CA 127.845 2.458 . . . . 115.06 110.606 -173.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . 0.276 83.6 p 85.43 172.02 0.06 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 129.585 3.154 . . . . 89.7 114.661 176.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 51.7 tpt85 -145.08 141.35 28.76 Favored 'General case' 0 C--N 1.353 0.726 0 N-CA-C 102.908 -2.997 . . . . 131.17 102.908 177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 43.8 m-20 -83.9 62.98 7.3 Favored 'General case' 0 C--N 1.361 1.089 0 C-N-CA 125.873 1.669 . . . . 115.97 115.438 -173.127 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 71.7 mtm180 -139.11 -162.72 1.36 Allowed 'General case' 0 C--N 1.354 0.789 0 O-C-N 121.106 -0.996 . . . . 295.16 108.871 178.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.4 p -80.71 -23.59 11.05 Favored 'Isoleucine or valine' 0 C--N 1.369 1.453 0 C-N-CA 126.667 1.987 . . . . 224.7 112.606 178.077 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -116.64 130.25 56.63 Favored 'General case' 0 N--CA 1.436 -1.147 0 N-CA-C 101.383 -3.562 . . . . 111.84 101.383 169.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 26.7 m-20 -107.17 -113.74 0.28 Allowed 'General case' 0 C--N 1.362 1.145 1 N-CA-C 98.663 -4.569 . . . . 210.5 98.663 177.79 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -53.81 -13.67 0.77 Allowed 'General case' 0 N--CA 1.452 -0.345 0 C-N-CA 128.768 2.827 . . . . 72.77 116.476 166.426 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -77.63 -37.45 50.05 Favored 'General case' 0 C--N 1.371 1.515 0 O-C-N 119.697 -1.877 . . . . 87.74 114.288 -179.112 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -83.22 -41.27 18.6 Favored 'General case' 0 C--N 1.355 0.841 0 N-CA-C 114.676 1.361 . . . . 161.64 114.676 168.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.48 1.3 p -112.63 17.11 7.93 Favored 'Isoleucine or valine' 0 CA--C 1.484 -1.577 0 N-CA-C 118.151 2.648 . . . . 155.98 118.151 -171.007 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.455 HD22 ' HB3' ' A' ' 43' ' ' GLU . 2.8 mp -133.17 133.82 43.3 Favored 'General case' 0 C--N 1.359 0.992 0 C-N-CA 112.495 -3.682 . . . . 155.03 107.941 159.72 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 32.5 m -111.5 160.62 16.97 Favored 'General case' 0 CA--C 1.511 -0.523 0 CA-C-N 109.996 -3.274 . . . . 156.32 111.64 176.228 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.426 HG23 ' HA ' ' A' ' 20' ' ' THR . 0.2 OUTLIER -75.44 122.55 29.48 Favored 'Isoleucine or valine' 0 C--N 1.359 0.998 0 C-N-CA 127.694 2.397 . . . . 268.83 106.689 162.72 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.11 -3.28 40.83 Favored Glycine 0 C--N 1.353 1.483 0 O-C-N 120.977 -1.077 . . . . 172.39 112.219 -168.322 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.0 t70 -106.73 143.99 34.04 Favored 'General case' 0 C--N 1.364 1.23 0 C-N-CA 126.076 1.75 . . . . 159.43 106.618 178.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -112.35 153.93 26.5 Favored 'General case' 0 C--N 1.352 0.691 0 N-CA-C 117.68 2.474 . . . . 194.78 117.68 -173.091 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 90.8 t -140.24 152.87 21.82 Favored 'Isoleucine or valine' 0 C--N 1.373 1.614 0 N-CA-C 103.76 -2.681 . . . . 166.4 103.76 179.158 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 40.0 tt0 -95.62 132.06 41.17 Favored 'General case' 0 C--N 1.359 0.99 0 N-CA-C 107.856 -1.164 . . . . 114.41 107.856 176.46 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -130.93 169.31 15.96 Favored 'General case' 0 CA--C 1.475 -1.907 0 O-C-N 119.75 -1.844 . . . . 105.33 106.028 -168.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 2.8 tppp? -99.04 140.66 32.86 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 105.424 -2.065 . . . . 93.58 105.424 -177.147 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . 0.476 ' CE1' HG21 ' A' ' 76' ' ' ILE 0.283 0.5 OUTLIER -95.87 102.53 14.33 Favored 'General case' 0 C--N 1.358 0.976 0 N-CA-C 102.474 -3.158 . . . . 129.39 102.474 -176.318 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 51.8 p -91.48 -62.15 1.5 Allowed 'General case' 0 C--N 1.384 2.072 0 N-CA-C 116.561 2.06 . . . . 155.62 116.561 -163.391 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -157.88 148.32 17.55 Favored Glycine 0 CA--C 1.491 -1.446 0 N-CA-C 106.028 -2.829 . . . . 52.87 106.028 -171.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.605 HG12 HG22 ' A' ' 76' ' ' ILE . 0.7 OUTLIER -122.14 142.16 39.65 Favored 'Isoleucine or valine' 0 CA--C 1.501 -0.915 0 N-CA-C 107.387 -1.338 . . . . 127.12 107.387 -179.709 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 2.5 p-10 -97.37 128.59 44.32 Favored 'General case' 0 CA--C 1.513 -0.464 0 O-C-N 121.229 -0.919 . . . . 134.55 111.111 -178.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 27.3 mmt180 -71.08 -20.19 62.38 Favored 'General case' 0 C--N 1.353 0.747 0 C-N-CA 126.942 2.097 . . . . 145.62 116.034 -176.711 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.3 mmtp -81.26 -40.64 23.42 Favored 'General case' 0 C--N 1.361 1.095 0 C-N-CA 126.63 1.972 . . . . 115.07 114.594 -177.245 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -107.0 -12.49 15.42 Favored 'General case' 0 C--N 1.361 1.066 0 O-C-N 121.275 -0.89 . . . . 103.56 110.077 179.476 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 39.8 mmt180 62.73 49.28 3.83 Favored 'General case' 0 C--N 1.365 1.267 0 C-N-CA 128.973 2.909 . . . . 168.39 114.942 179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.452 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -134.51 163.02 30.66 Favored 'General case' 0 N--CA 1.422 -1.87 0 C-N-CA 126.958 2.103 . . . . 71.7 112.029 -176.35 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.605 HG22 HG12 ' A' ' 69' ' ' VAL . 1.3 pp -95.41 137.45 23.57 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.712 1 C-N-CA 132.608 4.363 . . . . 171.51 113.046 177.838 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.0 m -113.99 123.1 48.9 Favored 'General case' 0 C--N 1.365 1.257 0 C-N-CA 129.61 3.164 . . . . 75.12 104.358 174.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.462 HD21 HD13 ' A' ' 76' ' ' ILE . 0.1 OUTLIER -113.67 144.71 42.47 Favored 'General case' 0 CA--C 1.501 -0.939 0 N-CA-C 106.665 -1.605 . . . . 127.79 106.665 -179.953 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 30.8 t -107.58 145.43 33.24 Favored 'General case' 0 C--O 1.205 -1.266 0 N-CA-C 103.343 -2.836 . . . . 189.29 103.343 170.75 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.289 11.1 m -49.12 -15.21 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.482 1.158 1 N-CA-C 125.589 5.403 . . . . 139.9 125.589 -177.44 . . . . . . . . 3 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 6.9 tpp180 -58.97 -21.75 59.1 Favored 'General case' 0 C--N 1.327 -0.389 2 C-N-CA 132.142 4.177 . . . . 366.01 121.958 -146.074 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 76.54 -31.5 0.19 Allowed 'General case' 0 C--N 1.357 0.908 0 C-N-CA 127.813 2.445 . . . . 200.7 115.546 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 31.5 mttp 170.09 -98.96 0.0 OUTLIER 'General case' 0 C--N 1.348 0.517 0 C-N-CA 131.451 3.9 . . . . 433.73 101.588 176.286 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -177.4 -56.9 0.01 OUTLIER 'General case' 0 C--N 1.347 0.458 0 N-CA-C 102.645 -3.095 . . . . 485.87 102.645 177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -156.66 -172.47 4.07 Favored 'General case' 0 N--CA 1.443 -0.798 0 N-CA-C 101.995 -3.335 . . . . 128.36 101.995 178.071 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -142.51 155.08 45.0 Favored 'General case' 0 C--N 1.348 0.518 0 N-CA-C 105.683 -1.969 . . . . 324.71 105.683 174.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.327 60.3 m-20 105.89 -15.86 0.01 OUTLIER 'General case' 0 C--N 1.367 1.348 0 C-N-CA 128.732 2.813 . . . . 295.51 111.319 -178.598 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 52.5 mm-40 -102.84 -0.24 31.61 Favored 'General case' 0 C--N 1.358 0.949 0 C-N-CA 125.89 1.676 . . . . 223.82 109.012 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 18.1 ptpt . . . . . 0 C--O 1.261 1.695 1 C-N-CA 132.219 4.208 . . . . 123.21 101.16 -179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.643 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 3.9 ptm . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 113.222 0.823 . . . . 107.41 113.222 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.679 ' CG ' HG23 ' A' ' 76' ' ' ILE . 0.0 OUTLIER -66.85 -30.86 71.14 Favored 'General case' 0 C--N 1.373 1.605 0 C-N-CA 125.209 1.404 . . . . 254.42 111.999 178.243 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -49.29 -32.62 11.32 Favored 'General case' 0 CA--C 1.592 2.587 0 C-N-CA 128.158 2.583 . . . . 212.44 113.494 -160.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 16.6 m120 -77.71 -50.32 12.65 Favored 'General case' 0 C--N 1.369 1.45 1 C-N-CA 138.223 6.609 . . . . 205.99 116.456 172.139 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.595 ' CD1' HG21 ' A' ' 35' ' ' VAL 0.263 0.2 OUTLIER -52.83 -31.87 41.34 Favored 'General case' 0 C--N 1.353 0.742 1 C-N-CA 135.007 5.323 . . . . 104.03 118.959 -177.158 . . . . . . . . 5 4 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . 0.479 HG22 ' CE2' ' A' ' 2' ' ' PHE . 0.5 OUTLIER -49.02 -30.36 3.51 Favored 'Isoleucine or valine' 0 C--N 1.371 1.524 0 C-N-CA 130.987 3.715 . . . . 55.88 114.237 -176.138 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -65.0 -31.3 72.48 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 129.748 3.219 . . . . 50.11 115.45 171.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 60.8 tp -96.0 -40.55 9.2 Favored 'General case' 0 C--N 1.369 1.436 0 N-CA-C 119.589 3.181 . . . . 125.51 119.589 -178.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -127.61 158.04 38.59 Favored 'General case' 0 C--N 1.359 0.993 0 O-C-N 119.724 -1.86 . . . . 70.45 112.534 -173.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 mptt -103.26 147.55 26.92 Favored 'General case' 0 C--N 1.353 0.746 0 C-N-CA 125.36 1.464 . . . . 60.0 113.49 -176.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -73.36 126.03 29.22 Favored 'General case' 0 C--N 1.363 1.165 0 O-C-N 119.661 -1.899 . . . . 147.71 110.667 169.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.19 -4.77 41.27 Favored Glycine 0 C--N 1.364 2.092 0 C-N-CA 125.021 1.295 . . . . 37.09 113.223 -164.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -98.29 164.99 12.07 Favored 'General case' 0 CA--C 1.506 -0.729 0 C-N-CA 125.608 1.563 . . . . 38.88 108.58 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.25 0.1 OUTLIER -116.75 136.63 53.22 Favored 'Isoleucine or valine' 0 C--N 1.346 0.424 0 C-N-CA 127.264 2.225 . . . . 122.0 112.707 -174.809 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.9 m -136.0 165.76 28.71 Favored 'Isoleucine or valine' 0 CA--C 1.491 -1.3 0 N-CA-C 104.802 -2.296 . . . . 142.55 104.802 -173.665 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.8 p -111.55 128.1 55.92 Favored 'General case' 0 CA--C 1.499 -1.011 0 O-C-N 120.775 -1.203 . . . . 78.3 108.052 174.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -123.83 164.36 17.07 Favored Glycine 0 CA--C 1.483 -1.942 0 C-N-CA 121.114 -0.565 . . . . 132.34 111.88 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 16.6 pttm -117.34 135.89 53.53 Favored 'General case' 0 CA--C 1.49 -1.345 0 C-N-CA 126.866 2.066 . . . . 178.17 115.248 -175.317 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.574 HG11 ' HB3' ' A' ' 56' ' ' LEU . 8.5 p -66.81 131.45 32.52 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 N-CA-C 117.031 2.234 . . . . 110.83 117.031 -178.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . . . . . . . . . 63.1 p -127.4 -44.64 1.54 Allowed 'General case' 0 C--N 1.368 1.395 0 N-CA-C 118.174 2.657 . . . . 113.29 118.174 -173.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -162.52 139.27 7.81 Favored 'General case' 0 C--N 1.364 1.198 0 N-CA-C 104.827 -2.286 . . . . 71.12 104.827 -173.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 5.1 m -117.19 146.98 20.89 Favored 'Isoleucine or valine' 0 C--N 1.351 0.645 0 N-CA-C 116.868 2.173 . . . . 135.68 116.868 -171.037 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -106.06 169.91 8.22 Favored 'General case' 0 C--N 1.368 1.391 0 C-N-CA 128.009 2.524 . . . . 141.25 106.401 176.226 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -49.17 -46.56 45.61 Favored 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 116.996 2.221 . . . . 271.48 116.996 178.286 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.26 0.19 23.02 Favored 'General case' 0 C--N 1.358 0.954 0 C-N-CA 128.097 2.559 . . . . 310.7 111.102 169.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -106.91 151.78 16.88 Favored Glycine 0 C--N 1.368 2.346 0 C-N-CA 126.621 2.058 . . . . 87.6 114.329 -165.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.525 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -142.46 137.61 30.43 Favored 'General case' 0 N--CA 1.428 -1.574 0 N-CA-C 101.173 -3.639 . . . . 79.41 101.173 167.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -109.35 130.23 55.5 Favored 'General case' 0 CA--C 1.508 -0.636 0 N-CA-C 105.845 -1.909 . . . . 62.25 105.845 177.266 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 2.6 p -113.99 137.73 46.25 Favored 'Isoleucine or valine' 0 N--CA 1.439 -0.988 0 N-CA-C 106.403 -1.702 . . . . 93.73 106.403 -172.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 9.0 tm-20 -92.64 124.76 36.9 Favored 'General case' 0 C--N 1.368 1.41 0 C-N-CA 126.301 1.84 . . . . 111.65 107.7 174.054 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.4 HD11 HD22 ' A' ' 78' ' ' LEU . 1.4 mm? -103.38 -2.35 27.13 Favored 'General case' 0 CA--C 1.513 -0.443 0 C-N-CA 128.812 2.845 . . . . 122.61 115.004 -167.913 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . 0.266 . . 75.2 140.58 0.07 Allowed 'General case' 0 C--N 1.354 0.802 0 N-CA-C 118.917 2.932 . . . . 108.78 118.917 174.429 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 20.4 t70 90.67 9.54 0.06 Allowed 'General case' 0 C--N 1.368 1.383 0 C-N-CA 129.582 3.153 . . . . 249.36 108.347 -172.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 92.92 35.21 6.47 Favored Glycine 0 C--N 1.365 2.19 0 C-N-CA 126.248 1.88 . . . . 261.8 110.996 -174.75 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.595 HG21 ' CD1' ' A' ' 5' ' ' TRP . 21.2 t -110.63 145.76 16.62 Favored 'Isoleucine or valine' 0 C--N 1.354 0.766 0 C-N-CA 128.183 2.593 . . . . 162.68 112.208 -175.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' H ' ' HB2' ' A' ' 1' ' ' MET . 46.6 mt-10 -127.65 154.95 44.66 Favored 'General case' 0 CA--C 1.497 -1.09 0 C-N-CA 126.977 2.111 . . . . 124.5 112.236 177.852 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -155.85 -152.35 6.19 Favored Glycine 0 N--CA 1.493 2.435 0 N-CA-C 109.18 -1.568 . . . . 66.69 109.18 165.073 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 75.9 m-85 -111.11 138.73 47.17 Favored 'General case' 0 C--N 1.377 1.777 0 N-CA-C 119.165 3.024 . . . . 130.64 119.165 -176.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.525 ' HB3' ' HB3' ' A' ' 27' ' ' ALA . 8.1 tt -114.38 110.02 19.24 Favored 'General case' 0 C--N 1.362 1.109 0 N-CA-C 106.337 -1.727 . . . . 173.09 106.337 168.74 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -81.33 135.13 35.67 Favored 'General case' 0 C--N 1.364 1.225 0 C-N-CA 124.967 1.307 . . . . 234.38 112.568 -177.662 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -69.71 -38.41 76.94 Favored 'General case' 0 C--N 1.369 1.438 0 C-N-CA 124.875 1.27 . . . . 67.0 113.2 178.376 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 4.9 m -63.0 -19.79 64.68 Favored 'General case' 0 C--N 1.36 1.034 0 C-N-CA 128.169 2.588 . . . . 92.06 116.416 174.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -104.95 -48.97 3.6 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 124.953 1.301 . . . . 241.64 113.662 -176.275 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . . . . . . . . . . . -136.69 14.33 3.16 Favored 'General case' 0 C--N 1.363 1.16 0 CA-C-N 120.013 1.279 . . . . 115.06 114.197 -176.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 53.3 m -157.56 77.03 0.83 Allowed 'General case' 0 C--N 1.365 1.264 0 O-C-N 118.471 -2.643 . . . . 89.7 114.647 -174.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 10.5 mmt180 -146.99 106.77 3.95 Favored 'General case' 0 CA--C 1.504 -0.808 0 N-CA-C 105.752 -1.944 . . . . 131.17 105.752 173.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -102.88 -35.59 8.55 Favored 'General case' 0 C--N 1.365 1.273 0 C-N-CA 123.575 0.75 . . . . 115.97 109.937 175.015 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 13.2 ptm180 -158.72 -125.74 0.02 OUTLIER 'General case' 0 C--N 1.354 0.767 0 N-CA-C 104.687 -2.338 . . . . 295.16 104.687 173.53 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 12.7 p -83.16 1.76 3.73 Favored 'Isoleucine or valine' 0 C--N 1.367 1.342 0 C-N-CA 127.444 2.298 . . . . 224.7 110.822 173.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -115.17 131.67 56.85 Favored 'General case' 0 N--CA 1.434 -1.266 0 C-N-CA 130.411 3.484 . . . . 111.84 104.667 177.292 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -108.47 -114.17 0.29 Allowed 'General case' 0 C--N 1.363 1.16 1 N-CA-C 98.989 -4.449 . . . . 210.5 98.989 178.857 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -56.64 -13.13 2.19 Favored 'General case' 0 N--CA 1.44 -0.962 0 C-N-CA 129.838 3.255 . . . . 72.77 115.326 168.225 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 9.6 p -76.97 -36.75 56.26 Favored 'General case' 0 C--N 1.371 1.535 0 O-C-N 119.247 -2.158 . . . . 87.74 114.161 177.233 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 4.8 tt -82.43 -41.09 20.31 Favored 'General case' 0 C--N 1.364 1.239 0 N-CA-C 115.77 1.767 . . . . 161.64 115.77 171.268 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.363 3.3 p -119.67 16.64 6.65 Favored 'Isoleucine or valine' 0 CA--C 1.472 -2.028 0 N-CA-C 116.955 2.206 . . . . 155.98 116.955 -171.259 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.574 ' HB3' HG11 ' A' ' 19' ' ' VAL . 2.0 mp -133.94 134.33 42.46 Favored 'General case' 0 C--N 1.356 0.877 0 C-N-CA 112.173 -3.811 . . . . 155.03 108.35 162.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 70.3 m -98.54 138.64 35.46 Favored 'General case' 0 N--CA 1.466 0.344 0 CA-C-N 110.768 -2.924 . . . . 156.32 106.715 171.744 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.568 ' HA ' HG13 ' A' ' 19' ' ' VAL . 60.3 t -60.51 125.66 17.04 Favored 'Isoleucine or valine' 0 C--N 1.361 1.099 0 C-N-CA 127.36 2.264 . . . . 268.83 114.873 -175.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 96.19 -3.62 64.34 Favored Glycine 0 C--N 1.362 2.005 0 C-N-CA 124.778 1.18 . . . . 172.39 113.868 -175.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -86.43 129.68 34.77 Favored 'General case' 0 C--N 1.367 1.36 0 C-N-CA 126.302 1.841 . . . . 159.43 108.451 179.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -95.72 153.55 17.68 Favored 'General case' 0 N--CA 1.427 -1.58 0 N-CA-C 119.527 3.158 . . . . 194.78 119.527 -168.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 4.2 m -139.7 162.18 26.32 Favored 'Isoleucine or valine' 0 C--N 1.355 0.824 0 C-N-CA 127.155 2.182 . . . . 166.4 107.153 173.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -94.86 132.77 39.31 Favored 'General case' 0 C--N 1.358 0.94 0 C-N-CA 126.244 1.818 . . . . 114.41 109.121 176.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -134.77 168.93 18.14 Favored 'General case' 0 CA--C 1.502 -0.903 0 N-CA-C 105.872 -1.899 . . . . 105.33 105.872 -175.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 58.8 tttt -101.34 131.25 47.5 Favored 'General case' 0 CA--C 1.509 -0.618 0 C-N-CA 125.932 1.693 . . . . 93.58 107.075 -179.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -96.63 104.93 16.96 Favored 'General case' 0 C--N 1.363 1.19 0 N-CA-C 102.576 -3.12 . . . . 129.39 102.576 -177.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 14.1 m -108.92 -50.45 3.01 Favored 'General case' 0 C--N 1.362 1.115 0 N-CA-C 114.42 1.267 . . . . 155.62 114.42 -160.618 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.86 173.96 41.49 Favored Glycine 0 C--N 1.358 1.778 0 O-C-N 121.369 -0.832 . . . . 52.87 112.305 -178.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.443 HG11 ' CE2' ' A' ' 2' ' ' PHE 0.351 0.3 OUTLIER -126.19 141.89 44.43 Favored 'Isoleucine or valine' 0 C--N 1.364 1.199 0 C-N-CA 127.224 2.209 . . . . 127.12 110.33 179.42 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -95.04 128.15 41.65 Favored 'General case' 0 C--N 1.356 0.891 0 N-CA-C 108.154 -1.054 . . . . 134.55 108.154 174.677 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 68.4 mtt-85 -70.27 -21.85 62.92 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 128.455 2.702 . . . . 145.62 116.573 -174.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -81.02 -35.66 31.62 Favored 'General case' 0 C--N 1.355 0.81 0 C-N-CA 126.882 2.073 . . . . 115.07 112.969 178.51 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -105.15 -14.42 15.39 Favored 'General case' 0 C--N 1.36 1.061 0 O-C-N 121.532 -0.73 . . . . 103.56 112.969 -175.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? 54.22 42.1 31.67 Favored 'General case' 0 C--N 1.367 1.33 0 C-N-CA 129.877 3.271 . . . . 168.39 114.677 -176.484 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.421 ' HA ' ' HE2' ' A' ' 1' ' ' MET . . . -135.03 165.65 24.86 Favored 'General case' 0 N--CA 1.417 -2.076 0 C-N-CA 130.005 3.322 . . . . 71.7 109.442 -176.232 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.679 HG23 ' CG ' ' A' ' 2' ' ' PHE 0.253 16.8 pt -93.9 139.36 18.49 Favored 'Isoleucine or valine' 0 CA--C 1.504 -0.81 1 C-N-CA 132.039 4.136 . . . . 171.51 114.353 -176.822 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 71.0 m -110.9 115.81 30.15 Favored 'General case' 0 N--CA 1.428 -1.548 0 C-N-CA 131.465 3.906 . . . . 75.12 100.991 175.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.4 HD22 HD11 ' A' ' 31' ' ' LEU . 3.2 pp -138.39 140.78 39.52 Favored 'General case' 0 CA--C 1.458 -2.563 0 N-CA-C 101.839 -3.393 . . . . 127.79 101.839 -179.199 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -106.31 144.55 32.84 Favored 'General case' 0 C--O 1.207 -1.176 0 N-CA-C 105.999 -1.852 . . . . 189.29 105.999 -176.626 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . . . . . . . . 0.439 0.0 OUTLIER -51.13 -15.41 0.42 Allowed 'Isoleucine or valine' 0 N--CA 1.481 1.124 1 N-CA-C 123.507 4.632 . . . . 139.9 123.507 178.021 . . . . . . . . 4 3 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 29.1 mmm180 -81.13 -42.38 21.01 Favored 'General case' 0 CA--C 1.515 -0.377 0 C-N-CA 131.166 3.786 . . . . 366.01 119.437 -157.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 70.68 -45.47 0.6 Allowed 'General case' 0 C--N 1.363 1.163 0 C-N-CA 127.795 2.438 . . . . 200.7 115.95 -176.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -130.24 -147.44 0.33 Allowed 'General case' 0 N--CA 1.447 -0.623 0 C-N-CA 127.372 2.269 . . . . 433.73 108.299 178.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -138.74 -155.21 0.58 Allowed 'General case' 0 C--N 1.354 0.796 0 C-N-CA 126.121 1.768 . . . . 485.87 108.183 178.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.4 pt-20 -155.41 -176.71 6.08 Favored 'General case' 0 C--N 1.355 0.818 0 N-CA-C 104.895 -2.261 . . . . 128.36 104.895 179.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -121.7 131.18 53.95 Favored 'General case' 0 C--N 1.358 0.954 0 CA-C-O 122.098 0.951 . . . . 324.71 109.393 178.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -174.46 -46.54 0.01 OUTLIER 'General case' 0 C--N 1.348 0.535 0 N-CA-C 104.518 -2.401 . . . . 295.51 104.518 -177.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 49.8 mt-10 -135.53 74.71 1.52 Allowed 'General case' 0 C--N 1.359 0.98 0 N-CA-C 106.957 -1.497 . . . . 223.82 106.957 179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 49.6 mmtm . . . . . 0 C--O 1.257 1.491 0 N-CA-C 104.106 -2.553 . . . . 123.21 104.106 -179.52 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.582 ' HG2' HG23 ' A' ' 35' ' ' VAL . 0.1 OUTLIER . . . . . 0 N--CA 1.497 1.904 0 N-CA-C 108.87 -0.789 . . . . 107.41 108.87 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . 0.573 ' CD2' HG23 ' A' ' 76' ' ' ILE . 35.4 t80 -50.96 -39.91 56.26 Favored 'General case' 0 C--N 1.366 1.31 1 C-N-CA 132.785 4.434 . . . . 254.42 112.381 173.788 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 23.4 p-10 -50.49 -43.61 55.67 Favored 'General case' 0 CA--C 1.569 1.685 0 C-N-CA 125.646 1.578 . . . . 212.44 114.394 178.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -79.23 -52.76 7.71 Favored 'General case' 0 C--N 1.371 1.509 0 C-N-CA 130.385 3.474 . . . . 205.99 115.73 164.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . 0.519 ' HB3' ' HA ' ' A' ' 2' ' ' PHE 0.262 60.4 t90 -54.77 -32.93 60.71 Favored 'General case' 0 C--N 1.373 1.6 1 C-N-CA 133.818 4.847 . . . . 104.03 116.228 -176.065 . . . . . . . . 4 3 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 7.4 p -50.21 -30.85 7.42 Favored 'Isoleucine or valine' 0 C--N 1.369 1.421 0 C-N-CA 131.49 3.916 . . . . 55.88 114.836 177.056 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -69.84 -32.99 71.69 Favored 'General case' 0 C--N 1.361 1.109 0 C-N-CA 125.954 1.702 . . . . 50.11 113.565 172.245 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 34.8 tp -95.64 -40.29 9.48 Favored 'General case' 0 C--N 1.363 1.171 0 N-CA-C 114.24 1.2 . . . . 125.51 114.24 173.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 7.9 t-20 -127.23 126.37 42.62 Favored 'General case' 0 C--N 1.362 1.121 0 C-N-CA 125.516 1.526 . . . . 70.45 114.879 -176.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -106.37 158.19 17.06 Favored 'General case' 0 C--N 1.353 0.734 0 C-N-CA 131.426 3.89 . . . . 60.0 112.178 175.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 44.0 mtmt -51.13 145.3 7.91 Favored 'General case' 0 C--N 1.366 1.287 1 C-N-CA 132.263 4.225 . . . . 147.71 117.601 -177.432 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.51 -4.71 40.32 Favored Glycine 0 C--N 1.371 2.496 0 C-N-CA 125.979 1.752 . . . . 37.09 112.295 -167.255 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -91.3 164.86 13.71 Favored 'General case' 0 C--N 1.349 0.562 0 C-N-CA 127.959 2.504 . . . . 38.88 109.086 -179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . 0.312 2.9 pt -116.6 137.74 49.44 Favored 'Isoleucine or valine' 0 CA--C 1.512 -0.495 0 C-N-CA 126.691 1.996 . . . . 122.0 112.983 -174.645 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 1.5 t -122.85 149.89 26.6 Favored 'Isoleucine or valine' 0 CA--C 1.487 -1.478 0 N-CA-C 104.485 -2.413 . . . . 142.55 104.485 -173.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 58.2 m -107.17 128.2 54.19 Favored 'General case' 0 CA--C 1.504 -0.796 0 N-CA-C 102.631 -3.1 . . . . 78.3 102.631 167.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -151.14 168.08 30.72 Favored Glycine 0 CA--C 1.479 -2.174 0 C-N-CA 116.621 -2.704 . . . . 132.34 114.409 176.537 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . . 46.5 pttt -110.06 137.73 47.42 Favored 'General case' 0 CA--C 1.493 -1.237 0 N-CA-C 117.881 2.548 . . . . 178.17 117.881 -171.486 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.443 HG13 ' HB1' ' A' ' 27' ' ' ALA . 21.8 t -68.5 129.05 32.85 Favored 'Isoleucine or valine' 0 C--N 1.374 1.65 0 CA-C-N 114.003 -1.453 . . . . 110.83 114.388 179.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.433 ' HA ' HG23 ' A' ' 58' ' ' VAL . 24.8 p -133.15 -7.93 3.01 Favored 'General case' 0 C--N 1.359 0.981 0 C-N-CA 126.105 1.762 . . . . 113.29 112.472 176.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.438 ' HB3' ' HB ' ' A' ' 28' ' ' THR . . . -160.66 154.62 22.77 Favored 'General case' 0 C--N 1.364 1.215 0 N-CA-C 104.14 -2.541 . . . . 71.12 104.14 -176.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 33.1 m -117.61 142.33 32.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.695 0 C-N-CA 124.413 1.085 . . . . 135.68 113.906 -176.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -106.55 166.9 10.22 Favored 'General case' 0 C--N 1.37 1.489 0 N-CA-C 104.621 -2.363 . . . . 141.25 104.621 171.746 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -56.72 -44.98 82.14 Favored 'General case' 0 N--CA 1.481 1.103 0 O-C-N 119.127 -2.233 . . . . 271.48 114.731 -179.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.2 pttp -106.13 1.61 26.39 Favored 'General case' 0 C--N 1.347 0.491 0 C-N-CA 129.148 2.979 . . . . 310.7 111.644 174.238 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -129.35 170.93 20.19 Favored Glycine 0 C--N 1.371 2.478 0 C-N-CA 126.009 1.766 . . . . 87.6 117.37 -158.381 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.627 ' HB3' ' O ' ' A' ' 39' ' ' LEU 0.33 . . -141.81 137.05 31.23 Favored 'General case' 0 N--CA 1.424 -1.773 0 N-CA-C 102.445 -3.169 . . . . 79.41 102.445 168.441 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.438 ' HB ' ' HB3' ' A' ' 21' ' ' ALA . 27.3 m -99.89 118.14 35.69 Favored 'General case' 0 C--N 1.348 0.537 0 C-N-CA 127.307 2.243 . . . . 62.25 104.988 179.69 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -102.22 142.31 16.77 Favored 'Isoleucine or valine' 0 CA--C 1.478 -1.806 0 C-N-CA 125.536 1.534 . . . . 93.73 110.567 -168.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.431 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 10.6 tp10 -94.85 123.47 38.33 Favored 'General case' 0 N--CA 1.438 -1.035 0 CA-C-O 122.959 1.361 . . . . 111.65 110.199 173.461 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.427 HD12 HD11 ' A' ' 76' ' ' ILE . 1.9 mt -117.23 -19.83 9.47 Favored 'General case' 0 N--CA 1.435 -1.213 0 C-N-CA 128.279 2.632 . . . . 122.61 109.381 -178.152 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 81.44 167.2 0.14 Allowed 'General case' 0 C--N 1.371 1.522 0 N-CA-C 118.9 2.926 . . . . 108.78 118.9 177.564 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.0 t70 84.53 20.83 0.13 Allowed 'General case' 0 C--N 1.363 1.169 0 C-N-CA 130.033 3.333 . . . . 249.36 109.04 -171.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 100.98 -33.41 6.47 Favored Glycine 0 C--N 1.371 2.516 0 C-N-CA 125.942 1.734 . . . . 261.8 114.209 177.743 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . 0.582 HG23 ' HG2' ' A' ' 1' ' ' MET . 0.2 OUTLIER -89.42 137.17 21.86 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.698 0 C-N-CA 128.195 2.598 . . . . 162.68 113.919 -175.394 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.431 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 24.7 mt-10 -127.2 154.64 44.57 Favored 'General case' 0 C--N 1.355 0.833 0 C-N-CA 128.135 2.574 . . . . 124.5 111.667 -173.133 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . -127.79 -161.17 10.69 Favored Glycine 0 N--CA 1.486 1.978 0 CA-C-O 118.526 -1.152 . . . . 66.69 115.723 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . 0.404 ' O ' ' HB2' ' A' ' 78' ' ' LEU . 18.7 m-85 -106.81 115.42 30.16 Favored 'General case' 0 C--N 1.379 1.854 0 C-N-CA 126.069 1.748 . . . . 130.64 114.896 177.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.627 ' O ' ' HB3' ' A' ' 27' ' ' ALA . 1.9 tm? -138.64 107.64 6.01 Favored 'General case' 0 CA--C 1.504 -0.821 0 N-CA-C 106.708 -1.59 . . . . 173.09 106.708 170.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.566 ' HD2' ' H ' ' A' ' 40' ' ' ARG . 0.0 OUTLIER -82.73 134.45 35.13 Favored 'General case' 0 C--N 1.352 0.703 0 C-N-CA 128.418 2.687 . . . . 234.38 105.638 160.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -74.85 -49.45 20.48 Favored 'General case' 0 N--CA 1.476 0.828 1 N-CA-C 121.846 4.017 . . . . 67.0 121.846 -171.32 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.2 t -81.01 -42.39 21.2 Favored 'General case' 0 C--N 1.362 1.111 0 N-CA-C 116.994 2.22 . . . . 92.06 116.994 178.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.623 ' HG3' ' H ' ' A' ' 44' ' ' ALA . 5.8 pt-20 -171.54 -80.39 0.01 OUTLIER 'General case' 0 C--N 1.353 0.758 0 N-CA-C 105.639 -1.986 . . . . 241.64 105.639 -176.122 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.623 ' H ' ' HG3' ' A' ' 43' ' ' GLU . . . -115.77 -125.72 0.29 Allowed 'General case' 0 CA--C 1.542 0.661 0 N-CA-C 105.218 -2.141 . . . . 115.06 105.218 171.615 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 48.1 t 176.77 -148.29 0.01 OUTLIER 'General case' 0 C--N 1.359 1.021 1 N-CA-C 99.626 -4.213 . . . . 89.7 99.626 176.417 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . . 25.9 tpt180 -58.33 72.65 0.01 OUTLIER 'General case' 0 C--N 1.36 1.044 0 C-N-CA 129.762 3.225 . . . . 131.17 116.416 178.66 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 53.3 p-10 -110.13 35.06 3.55 Favored 'General case' 0 C--N 1.358 0.976 0 C-N-CA 128.355 2.662 . . . . 115.97 110.65 178.166 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . 0.32 87.0 mtm180 102.01 11.67 0.01 OUTLIER 'General case' 0 C--N 1.365 1.241 0 C-N-CA 130.468 3.507 . . . . 295.16 113.014 -179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 11.7 p -164.27 155.6 2.01 Favored 'Isoleucine or valine' 0 C--N 1.353 0.737 0 N-CA-C 100.889 -3.745 . . . . 224.7 100.889 176.333 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 49.6 mt-10 -80.96 129.57 34.6 Favored 'General case' 0 C--N 1.357 0.907 0 N-CA-C 108.793 -0.818 . . . . 111.84 108.793 176.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 -120.21 -113.87 0.33 Allowed 'General case' 0 CA--C 1.484 -1.568 1 N-CA-C 98.919 -4.475 . . . . 210.5 98.919 174.282 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . 0.285 . . -48.46 -10.56 0.03 OUTLIER 'General case' 0 N--CA 1.442 -0.834 0 N-CA-C 119.953 3.316 . . . . 72.77 119.953 169.828 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 1.5 m -62.26 -34.76 77.17 Favored 'General case' 0 C--N 1.367 1.35 0 CA-C-N 124.818 3.463 . . . . 87.74 118.361 -170.406 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 21.4 tp -82.11 -35.19 28.81 Favored 'General case' 0 CA--C 1.552 1.051 0 CA-C-O 122.667 1.222 . . . . 161.64 114.026 167.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.499 9.9 p -97.33 18.96 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.362 1.117 1 C-N-CA 132.842 4.457 . . . . 155.98 116.118 -173.492 . . . . . . . . 3 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 2.7 pp -131.54 132.17 43.95 Favored 'General case' 0 N--CA 1.427 -1.577 0 N-CA-C 100.747 -3.797 . . . . 155.03 100.747 157.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 4.1 m -112.35 151.78 29.36 Favored 'General case' 0 CA--C 1.497 -1.064 0 C-N-CA 127.041 2.136 . . . . 156.32 106.353 173.291 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.44 HG12 ' H ' ' A' ' 58' ' ' VAL . 0.3 OUTLIER -75.65 122.35 29.37 Favored 'Isoleucine or valine' 0 C--N 1.355 0.807 0 C-N-CA 126.566 1.946 . . . . 268.83 107.176 168.46 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 104.44 -2.89 42.95 Favored Glycine 0 C--N 1.353 1.507 0 O-C-N 121.164 -0.96 . . . . 172.39 112.64 -172.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 37.6 t70 -102.68 141.5 35.39 Favored 'General case' 0 C--N 1.365 1.265 0 N-CA-C 105.899 -1.889 . . . . 159.43 105.899 179.556 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -119.0 133.08 56.05 Favored 'General case' 0 C--N 1.356 0.855 0 C-N-CA 125.343 1.457 . . . . 194.78 112.96 -177.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . 0.512 HG12 ' H ' ' A' ' 63' ' ' GLU 0.251 5.0 t -140.54 164.83 21.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.209 0 C-N-CA 129.532 3.133 . . . . 166.4 108.2 -174.727 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.512 ' H ' HG12 ' A' ' 62' ' ' VAL . 29.4 tt0 -94.3 130.63 40.51 Favored 'General case' 0 C--N 1.359 0.98 0 C-N-CA 128.821 2.849 . . . . 114.41 117.745 -175.499 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . 0.588 ' HB2' HD23 ' A' ' 39' ' ' LEU . . . -135.9 170.37 16.1 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.578 -1.326 . . . . 105.33 108.287 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 44.9 tttp -99.93 133.26 44.56 Favored 'General case' 0 CA--C 1.518 -0.284 0 C-N-CA 127.569 2.348 . . . . 93.58 108.864 -175.236 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -94.81 108.99 21.01 Favored 'General case' 0 C--N 1.366 1.312 0 N-CA-C 105.478 -2.045 . . . . 129.39 105.478 -173.606 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . . . . . . . . . 12.7 t -148.59 5.29 0.7 Allowed 'General case' 0 C--N 1.38 1.914 0 N-CA-C 116.981 2.215 . . . . 155.62 116.981 -161.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -166.99 135.68 3.78 Favored Glycine 0 C--N 1.349 1.292 0 N-CA-C 109.496 -1.442 . . . . 52.87 109.496 176.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG11 ' CZ ' ' A' ' 2' ' ' PHE 0.341 1.2 m -127.67 142.6 43.22 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.959 0 O-C-N 120.031 -1.864 . . . . 127.12 109.727 178.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 44.8 m-20 -95.06 126.93 40.73 Favored 'General case' 0 C--N 1.353 0.758 0 N-CA-C 108.537 -0.912 . . . . 134.55 108.537 175.297 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 17.1 ptp180 -70.56 -17.36 62.92 Favored 'General case' 0 C--N 1.365 1.247 0 C-N-CA 126.485 1.914 . . . . 145.62 115.834 -178.608 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 60.4 pttt -81.35 -34.4 31.81 Favored 'General case' 0 C--N 1.358 0.967 0 C-N-CA 128.043 2.537 . . . . 115.07 113.154 177.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 17.5 m120 -106.22 -14.89 15.0 Favored 'General case' 0 C--N 1.365 1.24 0 O-C-N 120.553 -1.342 . . . . 103.56 112.808 -179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 78.7 mtt85 56.58 42.65 26.87 Favored 'General case' 0 C--N 1.366 1.32 0 C-N-CA 129.374 3.07 . . . . 168.39 112.615 -172.55 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.427 ' HA ' ' CE ' ' A' ' 1' ' ' MET . . . -133.56 162.74 31.1 Favored 'General case' 0 N--CA 1.417 -2.077 0 C-N-CA 128.773 2.829 . . . . 71.7 108.878 -173.265 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.573 HG23 ' CD2' ' A' ' 2' ' ' PHE 0.317 0.5 OUTLIER -95.54 141.25 15.5 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.637 1 C-N-CA 134.8 5.24 . . . . 171.51 117.227 -172.834 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 73.9 m -113.16 129.55 56.48 Favored 'General case' 0 C--O 1.25 1.128 0 C-N-CA 131.364 3.866 . . . . 75.12 102.695 171.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.404 ' HB2' ' O ' ' A' ' 38' ' ' TYR . 1.2 mt -124.76 145.11 49.9 Favored 'General case' 0 N--CA 1.441 -0.886 0 N-CA-C 107.33 -1.359 . . . . 127.79 107.33 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 45.6 m -107.12 145.01 33.0 Favored 'General case' 0 C--O 1.212 -0.914 0 N-CA-C 104.232 -2.507 . . . . 189.29 104.232 169.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.426 HG22 ' O ' ' A' ' 80' ' ' VAL . 8.7 p -47.96 -16.21 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.562 1.427 2 N-CA-C 123.269 4.544 . . . . 139.9 123.269 -172.211 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . . . . . . . . . 86.6 mtt-85 -62.41 -42.28 99.32 Favored 'General case' 0 C--N 1.319 -0.734 2 C-N-CA 133.175 4.59 . . . . 366.01 122.88 -148.186 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 72.93 -52.67 0.71 Allowed 'General case' 0 N--CA 1.48 1.037 0 C-N-CA 127.202 2.201 . . . . 200.7 113.852 -172.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 62.1 pttt -123.62 -160.94 0.94 Allowed 'General case' 0 C--N 1.351 0.673 0 C-N-CA 126.833 2.053 . . . . 433.73 108.947 177.639 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 21.9 t70 77.08 78.81 0.08 Allowed 'General case' 0 C--N 1.362 1.119 0 C-N-CA 126.573 1.949 . . . . 485.87 113.424 178.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 tt0 -133.12 141.52 48.21 Favored 'General case' 0 C--N 1.354 0.768 0 N-CA-C 106.345 -1.724 . . . . 128.36 106.345 -179.456 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . 0.289 . . 76.98 -41.34 0.39 Allowed 'General case' 0 C--N 1.362 1.12 0 C-N-CA 127.626 2.371 . . . . 324.71 116.878 179.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 11.3 p-10 -85.88 28.38 0.8 Allowed 'General case' 0 C--N 1.36 1.047 0 C-N-CA 126.018 1.727 . . . . 295.51 112.994 176.151 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -153.78 45.95 0.62 Allowed 'General case' 0 C--N 1.352 0.685 0 N-CA-C 105.606 -1.998 . . . . 223.82 105.606 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 32.8 mmmt . . . . . 0 C--O 1.257 1.463 0 C-N-CA 128.569 2.748 . . . . 123.21 103.622 179.824 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.591 ' HE1' ' H ' ' A' ' 76' ' ' ILE . 7.8 ttp . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 108.946 -0.761 . . . . 107.41 108.946 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' PHE . . . . . . . . . . . . 0.458 0.0 OUTLIER -65.99 -29.41 69.78 Favored 'General case' 0 C--N 1.384 2.079 0 C-N-CA 125.346 1.458 . . . . 254.42 109.861 167.34 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -49.62 -33.21 14.75 Favored 'General case' 0 CA--C 1.578 2.024 0 C-N-CA 129.042 2.937 . . . . 212.44 112.396 -177.289 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 19.3 m120 -78.41 -53.04 7.69 Favored 'General case' 0 C--N 1.378 1.813 1 C-N-CA 132.484 4.314 . . . . 205.99 115.417 166.813 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -55.52 -33.53 63.86 Favored 'General case' 0 C--N 1.362 1.137 1 C-N-CA 135.028 5.331 . . . . 104.03 116.274 -178.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' VAL . . . . . . . . . . . . . 14.9 p -49.85 -30.71 6.19 Favored 'Isoleucine or valine' 0 C--N 1.367 1.33 1 C-N-CA 131.848 4.059 . . . . 55.88 114.823 -178.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -73.27 -21.2 60.65 Favored 'General case' 0 CA--C 1.548 0.886 0 C-N-CA 128.011 2.524 . . . . 50.11 114.925 174.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.0 mt -95.48 -39.75 9.82 Favored 'General case' 0 C--N 1.365 1.249 0 N-CA-C 117.076 2.25 . . . . 125.51 117.076 -178.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -127.78 155.9 43.32 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 127.086 2.154 . . . . 70.45 115.001 -171.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.474 ' H ' ' HD3' ' A' ' 10' ' ' LYS . 0.3 OUTLIER -106.17 145.9 30.93 Favored 'General case' 0 C--N 1.353 0.741 0 C-N-CA 125.508 1.523 . . . . 60.0 113.214 176.339 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mtmp? -72.45 145.73 47.39 Favored 'General case' 0 C--N 1.358 0.953 0 C-N-CA 131.646 3.978 . . . . 147.71 114.747 176.228 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 105.28 -3.85 40.61 Favored Glycine 0 C--N 1.374 2.689 0 C-N-CA 124.833 1.206 . . . . 37.09 113.184 -168.141 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ALA . . . . . . . . . . . . . . . -97.97 133.12 42.89 Favored 'General case' 0 CA--C 1.498 -1.048 0 C-N-CA 130.048 3.339 . . . . 38.88 105.792 -172.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 4.9 mm -89.72 133.92 30.34 Favored 'Isoleucine or valine' 0 C--N 1.352 0.709 0 C-N-CA 125.573 1.549 . . . . 122.0 109.427 -172.679 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' VAL . . . . . . . . . . . . . 21.2 t -142.01 149.79 19.47 Favored 'Isoleucine or valine' 0 CA--C 1.489 -1.404 0 N-CA-C 102.593 -3.114 . . . . 142.55 102.593 -168.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . 0.32 9.0 t -110.05 129.89 55.62 Favored 'General case' 0 CA--C 1.504 -0.814 0 CA-C-O 123.175 1.464 . . . . 78.3 111.609 -179.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -126.5 170.54 18.3 Favored Glycine 0 C--N 1.356 1.657 0 CA-C-N 114.043 -1.435 . . . . 132.34 112.343 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LYS . . . . . . . . . . . . 0.306 22.0 pttm -110.7 144.32 39.82 Favored 'General case' 0 CA--C 1.479 -1.779 0 N-CA-C 114.573 1.323 . . . . 178.17 114.573 -178.662 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.527 HG21 HD22 ' A' ' 56' ' ' LEU 0.274 21.5 t -84.68 124.52 39.95 Favored 'Isoleucine or valine' 0 C--N 1.364 1.236 0 C-N-CA 124.445 1.098 . . . . 110.83 110.946 -177.718 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' THR . . . . . 0.521 ' HA ' HG23 ' A' ' 58' ' ' VAL . 64.6 p -119.0 -35.48 3.63 Favored 'General case' 0 C--N 1.359 0.983 0 N-CA-C 116.987 2.217 . . . . 113.29 116.987 -166.516 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -168.17 148.86 4.95 Favored 'General case' 0 CA--C 1.486 -1.485 0 N-CA-C 103.289 -2.856 . . . . 71.12 103.289 -173.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 32.4 m -117.36 146.78 21.35 Favored 'Isoleucine or valine' 0 C--N 1.343 0.316 0 N-CA-C 114.964 1.468 . . . . 135.68 114.964 -174.695 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -105.82 169.21 8.61 Favored 'General case' 0 C--N 1.364 1.197 0 C-N-CA 126.908 2.083 . . . . 141.25 107.318 178.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ALA . . . . . . . . . . . . . . . -53.37 -41.05 65.47 Favored 'General case' 0 C--N 1.357 0.892 0 C-N-CA 127.048 2.139 . . . . 271.48 115.8 178.672 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 pttm -106.7 0.05 23.98 Favored 'General case' 0 C--N 1.354 0.778 0 C-N-CA 128.282 2.633 . . . . 310.7 110.887 171.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . -122.72 162.87 16.34 Favored Glycine 0 CA--C 1.476 -2.355 0 CA-C-O 124.349 2.083 . . . . 87.6 117.766 -154.699 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ALA . . . . . 0.476 ' HB3' ' HB3' ' A' ' 39' ' ' LEU . . . -141.34 131.96 25.54 Favored 'General case' 0 N--CA 1.424 -1.736 1 N-CA-C 98.385 -4.672 . . . . 79.41 98.385 170.091 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -106.72 129.07 54.67 Favored 'General case' 0 C--O 1.237 0.399 0 N-CA-C 104.082 -2.562 . . . . 62.25 104.082 176.762 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 3.0 p -114.23 144.0 22.75 Favored 'Isoleucine or valine' 0 CA--C 1.499 -1.015 0 C-N-CA 125.591 1.556 . . . . 93.73 108.473 -171.137 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.451 ' HA ' ' HG2' ' A' ' 36' ' ' GLU . 82.7 tt0 -103.92 118.03 35.72 Favored 'General case' 0 C--N 1.359 1.013 0 C-N-CA 125.471 1.509 . . . . 111.65 108.373 173.724 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . . . . . . . . . 3.8 mt -86.29 -20.58 28.18 Favored 'General case' 0 C--N 1.354 0.766 0 C-N-CA 128.626 2.77 . . . . 122.61 112.0 -175.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . 80.03 165.54 0.18 Allowed 'General case' 0 C--N 1.36 1.054 0 C-N-CA 126.659 1.984 . . . . 108.78 115.364 177.186 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.2 t70 73.92 7.0 4.89 Favored 'General case' 0 C--N 1.367 1.368 0 C-N-CA 126.961 2.104 . . . . 249.36 111.322 -171.674 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . 103.18 16.66 20.32 Favored Glycine 0 C--N 1.366 2.202 0 C-N-CA 126.943 2.211 . . . . 261.8 114.181 -174.55 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' VAL . . . . . . . . . . . . . 11.1 t -103.34 134.08 45.46 Favored 'Isoleucine or valine' 0 C--N 1.359 1.016 0 C-N-CA 125.663 1.585 . . . . 162.68 113.149 -179.026 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.451 ' HG2' ' HA ' ' A' ' 30' ' ' GLU . 34.3 mt-10 -127.71 154.3 45.5 Favored 'General case' 0 C--N 1.372 1.558 0 O-C-N 119.762 -1.836 . . . . 124.5 111.075 172.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.411 ' HA3' HD11 ' A' ' 78' ' ' LEU . . . -160.83 -154.26 7.32 Favored Glycine 0 C--N 1.367 2.29 0 N-CA-C 108.158 -1.977 . . . . 66.69 108.158 -177.439 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -106.66 139.06 41.7 Favored 'General case' 0 C--N 1.375 1.714 0 N-CA-C 118.958 2.948 . . . . 130.64 118.958 -178.018 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.572 HD21 HG13 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -124.89 127.31 46.91 Favored 'General case' 0 C--N 1.361 1.104 0 O-C-N 120.02 -1.675 . . . . 173.09 108.88 172.783 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ARG . . . . . 0.433 ' H ' ' CG2' ' A' ' 80' ' ' VAL . 3.7 mpt_? -80.43 135.03 36.07 Favored 'General case' 0 C--N 1.365 1.279 0 O-C-N 119.545 -1.972 . . . . 234.38 112.712 -179.015 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -72.12 -30.92 65.54 Favored 'General case' 0 C--N 1.362 1.125 0 C-N-CA 126.989 2.115 . . . . 67.0 113.874 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 2.0 p -78.79 -37.51 40.69 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 130.447 3.499 . . . . 92.06 115.296 177.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -82.68 -23.34 34.22 Favored 'General case' 0 C--N 1.36 1.027 0 N-CA-C 115.421 1.637 . . . . 241.64 115.421 -175.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ALA . . . . . 0.467 ' HB2' HG11 ' A' ' 80' ' ' VAL . . . -111.52 78.94 1.16 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.213 1.405 . . . . 115.06 108.92 179.165 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 97.0 p -142.35 -97.12 0.12 Allowed 'General case' 0 C--N 1.356 0.85 0 O-C-N 121.193 -0.942 . . . . 89.7 113.04 -177.081 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ARG . . . . . . . . . . . . 0.265 16.9 ttt-85 89.04 39.53 0.01 OUTLIER 'General case' 0 C--N 1.362 1.137 0 C-N-CA 131.065 3.746 . . . . 131.17 113.052 -177.84 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . 0.251 0.5 OUTLIER -148.07 -115.65 0.07 Allowed 'General case' 0 C--N 1.357 0.911 0 C-N-CA 124.895 1.278 . . . . 115.97 111.597 -177.648 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ARG . . . . . . . . . . . . . 33.3 ttm180 -156.78 -103.58 0.03 OUTLIER 'General case' 0 C--N 1.373 1.592 0 O-C-N 120.12 -1.613 . . . . 295.16 114.594 -176.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 3.2 t -52.73 -39.96 32.91 Favored 'Isoleucine or valine' 0 C--N 1.377 1.784 1 C-N-CA 132.403 4.281 . . . . 224.7 117.171 -173.254 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 7.3 mp0 -111.07 130.77 55.5 Favored 'General case' 0 C--N 1.349 0.574 1 N-CA-C 96.145 -5.502 . . . . 111.84 96.145 169.211 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -104.85 -113.74 0.24 Allowed 'General case' 0 CA--C 1.491 -1.296 0 N-CA-C 100.974 -3.713 . . . . 210.5 100.974 -177.384 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -51.55 -13.05 0.2 Allowed 'General case' 0 CA--C 1.536 0.41 0 N-CA-C 116.833 2.16 . . . . 72.77 116.833 164.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -75.9 -26.07 56.65 Favored 'General case' 0 C--N 1.381 1.945 0 O-C-N 119.777 -1.827 . . . . 87.74 112.717 176.201 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 1.4 tt -80.67 -42.32 22.25 Favored 'General case' 0 C--N 1.37 1.459 0 N-CA-C 116.643 2.09 . . . . 161.64 116.643 177.049 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' VAL . . . . . . . . . . . . 0.323 31.9 m -115.26 16.39 7.86 Favored 'Isoleucine or valine' 0 CA--C 1.471 -2.06 0 N-CA-C 115.797 1.777 . . . . 155.98 115.797 -177.333 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.527 HD22 HG21 ' A' ' 19' ' ' VAL . 0.8 OUTLIER -131.81 132.79 44.05 Favored 'General case' 0 N--CA 1.442 -0.868 0 C-N-CA 113.368 -3.333 . . . . 155.03 108.537 168.272 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' SER . . . . . . . . . . . . . 16.0 m -104.28 160.48 14.85 Favored 'General case' 0 CA--C 1.506 -0.735 1 CA-C-N 107.838 -4.256 . . . . 156.32 109.35 174.797 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.521 HG23 ' HA ' ' A' ' 20' ' ' THR . 4.3 p -74.61 121.66 26.42 Favored 'Isoleucine or valine' 0 C--N 1.364 1.212 0 O-C-N 120.737 -1.227 . . . . 268.83 108.828 169.33 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 105.26 -2.64 40.3 Favored Glycine 0 C--N 1.361 1.966 0 O-C-N 121.408 -0.808 . . . . 172.39 113.132 -172.454 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -95.74 133.28 40.03 Favored 'General case' 0 C--N 1.363 1.175 0 C-N-CA 125.359 1.464 . . . . 159.43 108.671 -179.632 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -96.25 148.96 22.19 Favored 'General case' 0 C--N 1.359 1.02 0 N-CA-C 116.512 2.041 . . . . 194.78 116.512 -175.737 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -139.37 158.39 28.23 Favored 'Isoleucine or valine' 0 C--N 1.356 0.883 0 N-CA-C 107.058 -1.46 . . . . 166.4 107.058 -179.581 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.9 mp0 -105.06 127.95 53.12 Favored 'General case' 0 C--N 1.357 0.91 0 C-N-CA 126.142 1.777 . . . . 114.41 108.323 -179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -137.84 168.15 20.28 Favored 'General case' 0 CA--C 1.497 -1.067 0 O-C-N 119.81 -1.806 . . . . 105.33 108.418 -174.299 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.403 ' HG2' HG23 ' A' ' 67' ' ' THR . 31.8 ttpt -100.92 117.43 34.97 Favored 'General case' 0 CA--C 1.497 -1.08 0 N-CA-C 107.461 -1.311 . . . . 93.58 107.461 -174.234 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -97.19 104.8 16.85 Favored 'General case' 0 C--N 1.381 1.949 0 N-CA-C 104.902 -2.258 . . . . 129.39 104.902 -170.524 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' THR . . . . . 0.403 HG23 ' HG2' ' A' ' 65' ' ' LYS . 0.5 OUTLIER -129.17 -45.45 1.24 Allowed 'General case' 0 C--N 1.381 1.956 0 N-CA-C 117.375 2.361 . . . . 155.62 117.375 -161.36 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -132.44 162.99 24.09 Favored Glycine 0 C--N 1.352 1.465 0 CA-C-N 119.48 1.036 . . . . 52.87 112.657 -178.245 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . 0.259 0.2 OUTLIER -127.45 141.8 45.36 Favored 'Isoleucine or valine' 0 CA--C 1.493 -1.216 0 C-N-CA 127.559 2.344 . . . . 127.12 106.644 175.062 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -89.19 126.94 35.69 Favored 'General case' 0 C--N 1.357 0.931 0 N-CA-C 105.327 -2.101 . . . . 134.55 105.327 172.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 43.5 ptt85 -70.04 -16.65 63.18 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 126.265 1.826 . . . . 145.62 115.859 -175.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 58.1 mtpt -81.2 -36.99 29.4 Favored 'General case' 0 C--N 1.359 0.986 0 C-N-CA 127.214 2.206 . . . . 115.07 112.782 177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 8.9 m120 -105.25 -14.63 15.3 Favored 'General case' 0 C--N 1.363 1.185 0 O-C-N 121.257 -0.902 . . . . 103.56 112.326 -177.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ARG . . . . . . . . . . . . . 29.5 mmm180 54.45 42.44 31.37 Favored 'General case' 0 C--N 1.367 1.337 0 C-N-CA 130.566 3.547 . . . . 168.39 114.215 -173.312 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ALA . . . . . 0.422 ' HB1' ' HE1' ' A' ' 1' ' ' MET . . . -133.51 163.87 28.43 Favored 'General case' 0 N--CA 1.429 -1.517 0 C-N-CA 127.385 2.274 . . . . 71.7 105.568 -173.138 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.591 ' H ' ' HE1' ' A' ' 1' ' ' MET . 1.3 pp -93.16 138.45 20.15 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.42 1 C-N-CA 131.878 4.071 . . . . 171.51 114.755 -169.377 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 67.3 m -113.51 116.84 30.2 Favored 'General case' 0 N--CA 1.434 -1.243 1 C-N-CA 133.483 4.713 . . . . 75.12 103.424 177.286 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.411 HD11 ' HA3' ' A' ' 37' ' ' GLY . 0.0 OUTLIER -144.53 134.06 23.36 Favored 'General case' 0 N--CA 1.419 -1.977 0 N-CA-C 103.562 -2.755 . . . . 127.79 103.562 -175.466 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 41.9 m -107.62 145.21 33.59 Favored 'General case' 0 C--O 1.211 -0.923 0 N-CA-C 106.869 -1.53 . . . . 189.29 106.869 -177.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.572 HG13 HD21 ' A' ' 39' ' ' LEU 0.388 0.2 OUTLIER -48.91 -14.9 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.605 1 N-CA-C 123.42 4.6 . . . . 139.9 123.42 -176.987 . . . . . . . . 5 4 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ARG . . . . . 0.483 ' HE ' ' HA ' ' A' ' 85' ' ' GLU . 4.2 tpt180 -80.75 -23.47 39.37 Favored 'General case' 0 C--N 1.323 -0.58 1 N-CA-C 123.001 4.445 . . . . 366.01 123.001 -150.657 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ALA . . . . . . . . . . . . . . . 71.08 -55.33 0.65 Allowed 'General case' 0 N--CA 1.483 1.21 0 N-CA-C 117.83 2.53 . . . . 200.7 117.83 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -152.34 103.27 2.83 Favored 'General case' 0 C--N 1.355 0.813 0 O-C-N 120.5 -1.375 . . . . 433.73 110.295 -177.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 45.3 m-20 62.14 -102.11 0.11 Allowed 'General case' 0 C--N 1.365 1.27 0 C-N-CA 128.751 2.82 . . . . 485.87 115.627 177.613 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.483 ' HA ' ' HE ' ' A' ' 81' ' ' ARG . 20.7 pt-20 -158.82 125.65 4.74 Favored 'General case' 0 C--N 1.352 0.702 0 N-CA-C 107.904 -1.147 . . . . 128.36 107.904 176.449 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ALA . . . . . . . . . . . . . . . -179.0 164.78 1.48 Allowed 'General case' 0 C--N 1.364 1.22 0 C-N-CA 125.554 1.541 . . . . 324.71 107.751 176.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . 0.313 59.7 m-20 105.31 -23.42 0.01 OUTLIER 'General case' 0 C--N 1.373 1.616 0 C-N-CA 129.266 3.026 . . . . 295.51 111.25 178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 29.6 tt0 -96.31 -1.45 47.87 Favored 'General case' 0 C--N 1.357 0.914 0 C-N-CA 128.072 2.549 . . . . 223.82 109.108 174.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 20.8 pttm . . . . . 0 C--O 1.26 1.619 1 C-N-CA 131.793 4.037 . . . . 123.21 102.334 -179.868 . . . . . . . . 1 1 . 1 stop_ save_