data_2k5q_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 2k5q _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 ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.931 0.396 . . . . 73.109999999999999 111.854 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.873 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 12.2 m-20 -83.73 153.94 23.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.5 -0.318 . . . . 74.409999999999997 110.995 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.491 ' HG2' ' HE2' ' A' ' 44' ' ' LYS . 13.6 pt-20 -137.91 123.17 19.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.209 0.528 . . . . 62.439999999999998 110.399 171.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 43' ' ' ASP . 90.0 m-85 -102.95 121.01 41.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 111.27 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -80.39 100.55 8.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.26 -0.427 . . . . 64.010000000000005 110.64 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG13 ' HA2' ' A' ' 41' ' ' GLY . 5.2 m -105.85 165.34 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.224 0.535 . . . . 73.109999999999999 111.415 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.24 115.97 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.564 -0.532 . . . . 71.310000000000002 109.564 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -65.09 93.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.281 0.562 . . . . 63.530000000000001 112.13 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.4 p -98.56 -37.19 9.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.572 -0.74 . . . . 55.009999999999998 111.233 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.2 m -89.61 119.5 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.194 0.521 . . . . 74.540000000000006 111.252 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -131.67 160.83 34.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.397 0.517 . . . . 75.510000000000005 112.397 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.69 9.85 70.55 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 116.097 1.199 . . . . 75.329999999999998 116.097 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 91.4 mttt -71.75 86.56 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.144 0.972 . . . . 74.129999999999995 112.013 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.98 109.2 16.87 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.102 0.477 . . . . 73.299999999999997 111.035 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.4 ' O ' HG21 ' A' ' 22' ' ' VAL . 19.9 m -88.89 86.99 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 122.094 0.95 . . . . 72.200000000000003 111.323 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 N--CA 1.473 0.698 0 CA-C-N 115.54 -0.754 . . . . 72.140000000000001 111.865 -178.475 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 p90 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.051 0.453 . . . . 71.230000000000004 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -135.59 131.5 35.96 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.322 -0.399 . . . . 74.049999999999997 111.896 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.65 159.86 19.72 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.076 -0.342 . . . . 61.149999999999999 110.076 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 54' ' ' THR . 96.2 m-85 -108.18 139.61 42.6 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.203 -0.311 . . . . 74.319999999999993 111.37 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -102.56 125.28 49.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.848 0.356 . . . . 73.430000000000007 111.625 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.46 89.31 3.07 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.399 -0.364 . . . . 75.219999999999999 110.88 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.05 121.56 42.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.422 -0.354 . . . . 74.120000000000005 110.658 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.74 176.54 12.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.477 0.547 . . . . 73.129999999999995 112.477 -172.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.6 m -93.91 117.85 30.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 63.119999999999997 111.155 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -98.27 133.84 11.48 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.212 -0.518 . . . . 45.140000000000001 113.13 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.96 116.54 32.74 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.78 0.324 . . . . 73.219999999999999 111.181 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.504 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -82.19 -179.86 7.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.691 0.626 . . . . 72.019999999999996 112.691 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.491 ' HE2' ' HG2' ' A' ' 10' ' ' GLU . 68.6 mttm -66.04 -33.39 75.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.828 -0.624 . . . . 64.099999999999994 111.91 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.6 -50.57 62.6 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.333 0.587 . . . . 72.049999999999997 110.567 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.84 41.01 0.47 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.809 -0.632 . . . . 65.019999999999996 112.764 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -106.28 -179.28 3.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.907 0.384 . . . . 61.32 110.804 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -119.04 107.61 13.72 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.112 0.482 . . . . 73.5 110.961 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -98.34 135.76 39.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.311 -0.404 . . . . 70.25 110.984 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -95.11 117.64 30.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.37 -0.234 . . . . 74.239999999999995 110.37 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 51' ' ' LEU . 2.2 pt? -141.5 140.59 33.54 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.214 0.53 . . . . 75.109999999999999 111.806 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.36 110.35 13.26 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.929 -0.578 . . . . 72.140000000000001 110.255 174.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -109.19 135.26 50.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.141 0.496 . . . . 71.150000000000006 110.959 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 34.5 p -99.25 131.11 45.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.993 -0.548 . . . . 74.439999999999998 111.032 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.78 47.7 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.265 -0.425 . . . . 72.510000000000005 111.502 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -35.81 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.071 0.462 . . . . 73.230000000000004 110.707 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 57' ' ' LYS . 47.6 mtpt -110.28 160.83 16.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.387 -0.37 . . . . 64.319999999999993 111.371 177.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -85.21 123.26 30.5 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.559 -0.534 . . . . 64.420000000000002 109.559 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.08 -174.52 3.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.981 0.734 . . . . 71.030000000000001 112.981 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -75.19 111.52 10.53 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.365 0.602 . . . . 73.109999999999999 112.51 -174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -78.81 157.4 28.41 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.661 -0.7 . . . . 72.340000000000003 111.518 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 43.2 tt0 68.56 2.52 3.42 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.036 0.535 . . . . 72.340000000000003 112.066 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.63 163.58 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.93 -0.482 . . . . 73.219999999999999 111.936 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.32 109.88 22.31 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 61.399999999999999 109.862 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 78' ' ' TRP . 2.7 tt -102.26 123.21 45.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.002 0.43 . . . . 73.140000000000001 111.086 -171.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -87.98 105.43 17.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.403 -0.362 . . . . 72.25 110.658 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.71 121.97 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.111 0.412 . . . . 73.430000000000007 112.111 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -72.84 149.47 43.54 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.832 0.349 . . . . 71.200000000000003 111.135 176.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.873 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 53.4 t-80 -142.26 135.87 29.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.246 0.546 . . . . 55.350000000000001 112.192 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -144.75 147.11 32.56 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.954 -0.566 . . . . 64.530000000000001 110.082 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.18 -38.09 76.02 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.658 0.985 . . . . 74.319999999999993 113.658 -172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -74.82 -13.01 60.52 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.414 1.264 . . . . 73.439999999999998 114.414 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -151.2 2.82 0.43 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.412 -0.805 . . . . 73.150000000000006 112.907 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 71.71 -82.15 0.5 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.973 -0.632 . . . . 52.310000000000002 113.387 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.12 147.07 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 120.934 0.397 . . . . 43.530000000000001 111.769 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.448 ' HB2' ' HE2' ' A' ' 68' ' ' TYR . 48.9 m -151.43 -60.45 0.17 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.131 0.491 . . . . 74.420000000000002 111.327 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' TYR . . . -101.57 145.51 28.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.962 0.41 . . . . 64.049999999999997 111.819 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.543 ' HB2' HD22 ' A' ' 65' ' ' LEU . 40.0 p-90 -160.85 151.46 18.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.322 -0.399 . . . . 73.040000000000006 111.55 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -132.44 147.85 52.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.506 0.67 . . . . 72.040000000000006 112.443 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -96.27 119.56 34.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.443 -0.799 . . . . 74.129999999999995 111.394 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.86 177.28 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.442 0.639 . . . . 72.420000000000002 111.926 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -118.67 162.79 17.82 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.006 -0.543 . . . . 75.200000000000003 110.514 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HZ2' ' CG ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -60.82 -20.91 62.55 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.834 0.35 . . . . 71.109999999999999 111.892 -177.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.439 ' CG ' ' HZ2' ' A' ' 83' ' ' LYS . 4.0 m-20 -73.6 -33.74 64.73 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.01 0.433 . . . . 72.310000000000002 111.208 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.21 -26.34 39.2 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.116 -0.493 . . . . 64.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.35 154.73 86.04 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 111.537 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.28 140.41 88.38 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.386 2.057 . . . . 74.329999999999998 112.469 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.26 46.67 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.926 0.393 . . . . 73.0 111.654 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.37 -29.93 59.39 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.158 -0.474 . . . . 70.340000000000003 111.814 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.28 -38.13 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.051 0.453 . . . . 74.430000000000007 110.792 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 CA--C 1.539 0.524 0 CA-C-N 116.001 -0.545 . . . . 73.400000000000006 110.741 176.369 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 15.9 tptm . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 110.576 -0.157 . . . . 75.209999999999994 110.576 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.55 106.46 3.47 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.873 -0.517 . . . . 73.200000000000003 111.343 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 118.79 36.19 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.455 0.645 . . . . 55.450000000000003 110.652 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -93.48 139.62 30.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.0 -0.546 . . . . 71.25 111.315 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.04 100.21 12.68 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.115 -0.493 . . . . 74.430000000000007 110.773 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.92 162.31 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.953 0.406 . . . . 62.450000000000003 111.354 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -133.7 143.14 48.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.514 -0.312 . . . . 71.540000000000006 110.457 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 61' ' ' LYS . 40.2 mm -69.72 92.96 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 121.206 0.527 . . . . 70.019999999999996 112.05 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 p -86.82 -65.47 1.01 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 111.331 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -95.76 109.39 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 121.291 0.567 . . . . 64.319999999999993 111.819 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.89 -178.75 3.44 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.256 0.55 . . . . 73.109999999999999 111.971 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.9 7.94 63.11 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 121.158 -0.544 . . . . 61.399999999999999 114.016 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 65.1 mttm -80.04 155.39 27.61 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.99 0.395 . . . . 51.229999999999997 110.983 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.13 147.45 36.72 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.969 0.414 . . . . 54.420000000000002 111.842 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.418 ' O ' HG23 ' A' ' 22' ' ' VAL . 17.9 m -92.35 81.49 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 122.041 0.924 . . . . 71.430000000000007 110.594 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.524 -0.762 . . . . 63.109999999999999 111.621 -175.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 120.839 0.352 . . . . 75.209999999999994 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -142.96 113.81 7.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.507 -0.315 . . . . 74.329999999999998 110.864 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -86.37 149.19 25.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.888 0.375 . . . . 73.299999999999997 110.582 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.27 154.02 33.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.357 0.599 . . . . 71.140000000000001 111.992 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 37.4 tt0 -119.89 131.97 55.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.747 -0.661 . . . . 75.120000000000005 111.21 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -123.28 103.91 8.81 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.826 0.346 . . . . 70.219999999999999 111.073 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -95.25 87.19 4.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.124 0.488 . . . . 53.0 110.443 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HD13 ' A' ' 15' ' ' ILE . 35.4 mt -106.06 162.03 13.97 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.183 0.516 . . . . 73.310000000000002 112.176 -173.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -109.67 117.4 33.81 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.323 -0.399 . . . . 74.140000000000001 111.024 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.92 130.3 10.19 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.34 -0.457 . . . . 61.210000000000001 112.851 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -90.68 132.32 35.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.172 0.51 . . . . 74.209999999999994 111.689 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.452 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 30.2 t70 -77.71 168.15 20.42 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.849 -0.614 . . . . 75.540000000000006 111.842 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.31 -30.01 68.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.077 -0.511 . . . . 70.450000000000003 112.363 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.43 -8.65 50.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.246 0.546 . . . . 72.299999999999997 110.888 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.39 25.1 8.42 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.152 -0.476 . . . . 41.420000000000002 113.681 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.452 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 66.8 mmtt -89.5 173.43 8.34 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.182 -0.599 . . . . 73.209999999999994 111.485 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -108.93 129.98 55.44 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.309 0.485 . . . . 71.129999999999995 112.309 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.25 140.53 47.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.303 -0.408 . . . . 75.420000000000002 110.396 172.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.23 113.47 20.07 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.032 0.444 . . . . 73.340000000000003 111.803 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 67' ' ' VAL . 4.1 mm? -99.55 82.8 2.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.492 0.663 . . . . 50.450000000000003 110.203 173.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.43 99.27 9.1 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.736 -0.666 . . . . 54.119999999999997 110.477 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -128.25 173.03 10.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.16 -0.473 . . . . 73.030000000000001 111.496 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.5 p -121.72 158.37 28.9 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.306 0.575 . . . . 75.219999999999999 112.305 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.37 137.47 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 74.549999999999997 110.005 176.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.16 -34.58 77.86 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.193 -0.317 . . . . 71.230000000000004 111.841 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -129.0 153.6 47.42 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.934 0.397 . . . . 72.400000000000006 111.36 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.71 133.14 48.78 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.248 -0.433 . . . . 62.240000000000002 111.372 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 pp -105.15 -165.24 1.11 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.262 -0.426 . . . . 74.409999999999997 112.05 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -61.42 115.84 4.2 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.854 0.359 . . . . 74.340000000000003 111.775 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.456 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 48.0 mtpt -69.98 -50.39 42.19 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.442 0.534 . . . . 71.340000000000003 112.442 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.42 21.07 7.51 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.401 0.519 . . . . 63.310000000000002 112.401 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.15 179.76 4.17 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.864 0.364 . . . . 75.030000000000001 111.393 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.514 ' HB2' HG22 ' A' ' 81' ' ' VAL . 69.7 m-85 -113.38 161.93 16.7 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.411 -0.359 . . . . 75.319999999999993 110.779 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 80' ' ' GLU . 87.6 mt -130.75 123.79 29.99 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.886 0.374 . . . . 75.400000000000006 111.859 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -81.99 91.39 6.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.843 0.354 . . . . 70.040000000000006 110.366 171.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.561 HG13 HD13 ' A' ' 51' ' ' LEU . 60.0 t -85.12 129.21 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.031 0.443 . . . . 72.319999999999993 111.327 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.459 ' HD2' ' H ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -69.18 137.63 53.44 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.181 0.515 . . . . 72.310000000000002 111.656 177.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.73 147.57 37.61 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.02 -0.537 . . . . 75.430000000000007 110.722 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 m -146.45 -169.11 3.19 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 110.786 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.38 -34.05 64.0 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.162 0.506 . . . . 71.140000000000001 111.119 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -69.17 -14.8 63.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.855 0.687 . . . . 73.109999999999999 112.855 178.64 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.6 ttmt 67.28 -72.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.148 -0.686 . . . . 72.239999999999995 109.148 -164.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.63 -79.76 0.01 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.665 1.026 . . . . 43.399999999999999 115.665 168.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.7 t 68.22 102.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.0 0.52 . . . . 73.450000000000003 110.985 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.459 ' H ' ' HD2' ' A' ' 68' ' ' TYR . 93.0 p -123.57 -42.08 2.23 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.198 0.444 . . . . 74.409999999999997 112.198 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.6 148.22 51.47 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.548 0.573 . . . . 65.230000000000004 112.548 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -147.93 152.35 37.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.867 -0.606 . . . . 73.010000000000005 111.496 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -126.78 149.57 49.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.888 0.375 . . . . 73.109999999999999 111.608 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.489 ' HA ' HD23 ' A' ' 65' ' ' LEU . 52.0 mt-10 -85.02 108.31 17.56 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.949 -0.569 . . . . 71.430000000000007 111.254 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 64' ' ' PHE . 35.4 m -112.18 171.83 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 121.113 0.482 . . . . 63.240000000000002 111.578 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -118.2 167.09 11.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.391 0.615 . . . . 74.230000000000004 112.589 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -60.7 -14.6 21.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.722 -0.672 . . . . 74.5 112.47 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.46 -37.71 78.86 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.303 0.483 . . . . 70.310000000000002 112.303 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 10.4 pt-20 -93.41 3.69 55.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.829 0.347 . . . . 63.409999999999997 111.687 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.532 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 80.2 mt -136.51 52.96 6.74 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-N 116.399 -0.364 . . . . 73.25 111.79 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' A' ' 86' ' ' LEU . 8.6 Cg_exo -72.08 172.17 15.27 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.309 2.006 . . . . 72.219999999999999 113.243 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.56 -37.21 62.68 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.476 0.547 . . . . 62.310000000000002 112.476 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.418 ' HE2' ' HG2' ' A' ' 87' ' ' PRO . 61.2 pttt -58.12 -24.41 58.66 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.261 0.467 . . . . 60.020000000000003 112.261 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 87.7 t -77.97 -56.07 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.96 0.41 . . . . 73.109999999999999 110.988 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 116.271 -0.422 . . . . 60.450000000000003 111.566 178.391 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.531 0.681 . . . . 72.030000000000001 112.657 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.625 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 71.4 m-20 -108.48 133.87 52.04 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.166 0.508 . . . . 74.040000000000006 110.861 173.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.427 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -126.12 102.34 7.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.586 0.708 . . . . 75.120000000000005 111.098 -174.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 90.9 m-85 -92.46 104.18 16.52 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.927 -0.483 . . . . 74.319999999999993 110.548 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -87.11 101.6 13.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.11 0.481 . . . . 73.010000000000005 111.028 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -123.85 173.86 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 74.319999999999993 111.912 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -122.22 170.08 10.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.931 0.396 . . . . 74.010000000000005 110.714 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -70.55 90.89 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.132 0.491 . . . . 72.439999999999998 112.035 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -80.41 -67.3 0.78 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.266 -0.424 . . . . 71.530000000000001 110.9 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.17 119.72 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.191 0.519 . . . . 75.519999999999996 111.288 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -130.39 160.69 33.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.111 0.482 . . . . 71.010000000000005 111.882 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.45 68.09 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 114.581 0.593 . . . . 44.149999999999999 114.581 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD3' ' HB3' ' A' ' 36' ' ' GLU . 66.0 tttm -70.28 91.29 0.73 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 117.697 0.749 . . . . 63.439999999999998 110.431 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -79.29 96.48 5.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.949 -0.569 . . . . 65.319999999999993 111.501 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 34' ' ' ASP . 17.1 m -75.08 78.95 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.274 1.035 . . . . 74.430000000000007 110.801 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.6 t60 . . . . . 0 CA--C 1.541 0.619 0 CA-C-N 114.886 -1.052 . . . . 70.519999999999996 111.169 -178.902 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.6 p90 . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 121.19 0.519 . . . . 75.25 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.76 152.76 45.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.874 -0.603 . . . . 74.219999999999999 111.646 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.43 ' HB2' HG21 ' A' ' 22' ' ' VAL . 8.7 m-20 -131.3 150.97 51.93 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.905 -0.589 . . . . 74.439999999999998 110.12 173.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.28 129.68 52.1 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.617 0.246 . . . . 75.109999999999999 111.381 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.441 ' HB3' ' HD3' ' A' ' 20' ' ' LYS . 42.0 tt0 -100.56 127.42 46.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.88 0.372 . . . . 74.310000000000002 111.343 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.8 94.5 4.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 72.049999999999997 111.287 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 87.9 tttt -94.82 93.01 7.23 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.231 0.538 . . . . 74.140000000000001 109.809 173.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -104.55 146.7 28.52 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 73.340000000000003 111.62 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 84.9 m -82.65 99.61 9.69 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.997 0.427 . . . . 74.439999999999998 111.618 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.25 130.47 10.13 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 116.239 -0.437 . . . . 54.240000000000002 113.085 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -90.36 117.42 29.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.325 0.583 . . . . 65.329999999999998 111.352 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.38 164.87 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.665 -0.698 . . . . 50.100000000000001 111.84 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.625 ' NZ ' ' HA ' ' A' ' 9' ' ' ASP . 63.1 mttp -55.93 -34.31 65.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.144 0.424 . . . . 70.219999999999999 112.144 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -76.86 0.96 18.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.201 0.445 . . . . 61.100000000000001 112.201 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.46 5.18 79.46 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.393 -0.432 . . . . 54.439999999999998 112.815 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -74.44 156.86 36.52 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.622 -0.34 . . . . 70.109999999999999 111.688 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.99 102.29 10.78 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.562 0.696 . . . . 71.349999999999994 111.073 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -105.98 145.09 31.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.816 -0.629 . . . . 64.420000000000002 110.928 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.48 115.99 28.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.461 0.648 . . . . 71.099999999999994 111.713 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.63 105.49 16.43 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.253 -0.43 . . . . 73.530000000000001 110.663 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 9.5 pt-20 -98.48 117.29 32.59 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.139 0.495 . . . . 64.540000000000006 111.531 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.001 0.429 . . . . 73.230000000000004 111.34 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -89.35 143.99 26.41 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.202 0.525 . . . . 75.230000000000004 111.451 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.77 165.53 19.11 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.463 0.649 . . . . 72.030000000000001 112.045 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.51 -25.39 31.11 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.501 -0.772 . . . . 71.420000000000002 112.605 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.689 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 7.9 mtpm? -138.09 170.84 15.33 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.084 0.469 . . . . 70.109999999999999 111.938 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -72.26 103.39 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.807 -0.633 . . . . 64.310000000000002 109.601 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.28 149.54 45.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.796 0.331 . . . . 61.020000000000003 111.474 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 60' ' ' ARG . 54.1 mtt180 -57.15 109.68 0.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.553 0.575 . . . . 75.510000000000005 112.553 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 28.4 mtpp -61.29 137.72 58.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.323 -0.399 . . . . 75.099999999999994 110.769 175.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 51.8 mm-40 73.72 10.63 4.74 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.459 0.703 . . . . 64.099999999999994 112.829 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.92 155.73 16.64 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.804 0.335 . . . . 65.430000000000007 110.875 173.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -101.22 117.42 34.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.163 0.506 . . . . 65.430000000000007 111.559 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 92.3 mt -93.04 119.6 32.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.244 -0.434 . . . . 63.140000000000001 111.711 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 42.9 ttm180 -82.04 90.29 6.5 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.384 -0.371 . . . . 71.329999999999998 110.08 173.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 11' ' ' TYR . 59.6 t -84.6 123.18 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.576 0.703 . . . . 74.409999999999997 111.928 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.59 126.66 35.39 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.105 -0.952 . . . . 73.409999999999997 111.404 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 11.7 t-160 -74.56 121.32 21.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.995 -0.548 . . . . 71.400000000000006 110.876 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.1 t -129.59 177.21 7.38 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.103 0.478 . . . . 73.510000000000005 112.126 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.9 -54.39 3.35 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.854 -0.612 . . . . 70.140000000000001 112.02 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -48.94 -41.04 32.54 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.883 1.068 . . . . 74.439999999999998 113.883 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.41 ' HG3' ' O ' ' A' ' 73' ' ' LYS . 26.4 tptp -150.77 28.28 0.7 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.483 0.659 . . . . 54.439999999999998 111.05 -177.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 -47.95 2.66 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.081 -0.581 . . . . 74.209999999999994 113.11 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.31 146.31 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 120.907 0.384 . . . . 71.200000000000003 110.876 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.6 t -135.88 -35.94 0.77 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.116 0.484 . . . . 75.230000000000004 111.255 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.4 146.62 42.44 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.381 -0.372 . . . . 70.340000000000003 111.678 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.445 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 63.4 p-90 -151.78 144.44 24.28 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.023 0.439 . . . . 75.310000000000002 111.289 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 37.9 mt-10 -115.32 143.24 45.57 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.032 0.444 . . . . 72.319999999999993 111.191 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.434 ' HA ' HD23 ' A' ' 65' ' ' LEU . 42.6 tt0 -101.25 91.94 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 74.530000000000001 110.242 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.3 m -112.89 176.02 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.365 0.602 . . . . 75.329999999999998 112.436 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -119.1 170.12 9.34 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.935 -0.575 . . . . 75.409999999999997 112.078 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -21.9 63.47 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 112.099 0.407 . . . . 64.349999999999994 112.099 178.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.15 -24.16 66.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.27 0.557 . . . . 75.219999999999999 110.812 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -86.42 -51.17 6.38 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.873 -0.603 . . . . 63.140000000000001 111.034 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.459 ' HB3' HG22 ' A' ' 90' ' ' VAL . 82.9 mt -93.78 114.91 64.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.946 -0.57 . . . . 71.150000000000006 111.822 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.32 162.21 31.24 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.403 2.069 . . . . 75.540000000000006 113.035 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -21.47 4.0 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.624 0.602 . . . . 70.140000000000001 112.624 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -45.55 -32.25 2.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.704 0.402 . . . . 63.409999999999997 111.804 176.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 86' ' ' LEU . 67.4 t -60.53 -59.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 62.219999999999999 111.374 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.355 0.502 . . . . 64.400000000000006 112.355 -176.41 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 mptt . . . . . 0 CA--C 1.554 1.11 0 N-CA-C 110.175 -0.306 . . . . 74.329999999999998 110.175 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 4.7 m-20 -69.82 143.43 52.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.645 -0.659 . . . . 74.409999999999997 111.623 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.528 ' HG2' HH21 ' A' ' 66' ' ' ARG . 7.1 tp10 -126.81 107.81 10.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.353 -0.385 . . . . 64.129999999999995 110.92 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.445 ' HB2' HG21 ' A' ' 67' ' ' VAL . 9.3 m-85 -96.17 129.79 43.39 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.139 0.495 . . . . 72.310000000000002 111.796 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -100.29 101.91 13.03 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.076 -0.511 . . . . 75.329999999999998 111.568 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.87 -179.56 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 116.429 -0.35 . . . . 72.120000000000005 111.586 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -134.71 160.65 37.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.807 0.337 . . . . 71.299999999999997 111.097 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.9 107.3 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 121.141 0.496 . . . . 74.049999999999997 111.986 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 p -86.99 -64.56 1.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.102 -0.499 . . . . 73.150000000000006 111.631 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -128.66 137.67 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 120.928 0.394 . . . . 65.540000000000006 111.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -131.02 -173.94 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.175 0.512 . . . . 64.450000000000003 111.44 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.4 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.603 0.601 . . . . 65.230000000000004 114.603 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 47.6 mtpt -70.62 90.47 0.76 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.765 0.783 . . . . 74.400000000000006 110.365 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 9.8 pt-20 -82.1 108.33 15.49 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.706 0.765 . . . . 73.25 112.048 -175.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.423 ' O ' HG23 ' A' ' 22' ' ' VAL . 22.6 m -89.26 100.24 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.928 0.87 . . . . 72.439999999999998 111.373 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 m170 . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 115.415 -0.811 . . . . 74.329999999999998 111.443 174.674 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.4 p90 . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 112.27 0.471 . . . . 71.109999999999999 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -128.74 161.47 29.65 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.014 0.746 . . . . 74.420000000000002 113.014 -170.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 14.6 m-20 -130.58 145.08 51.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.193 -0.912 . . . . 73.239999999999995 109.777 166.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -84.31 115.33 22.43 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.632 0.253 . . . . 72.319999999999993 111.504 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.68 136.34 37.42 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.125 0.417 . . . . 74.209999999999994 112.125 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 92.7 m-85 -126.66 100.21 6.11 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.077 -0.51 . . . . 72.530000000000001 110.544 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HG2' ' HB3' ' A' ' 52' ' ' GLU . 13.9 tmtt? -110.65 124.12 51.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.098 -0.501 . . . . 71.510000000000005 110.158 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.81 165.71 35.69 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.381 0.61 . . . . 75.010000000000005 112.597 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.2 m -90.02 115.95 27.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.247 -0.433 . . . . 75.349999999999994 111.25 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.79 109.94 3.42 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.157 -0.544 . . . . 63.399999999999999 112.775 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.3 p90 -110.8 122.36 47.64 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.154 0.502 . . . . 65.230000000000004 111.68 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 28.0 t70 -156.13 -176.57 6.03 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.81 -0.632 . . . . 75.340000000000003 110.563 -173.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.424 ' H ' ' CG ' ' A' ' 43' ' ' ASP . 34.0 tptt 82.22 -61.86 0.16 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.847 0.859 . . . . 74.319999999999993 111.385 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.63 35.04 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.434 0.635 . . . . 72.219999999999999 111.081 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.75 44.17 6.53 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.059 -0.591 . . . . 65.430000000000007 113.761 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 91.6 mttt -124.51 144.93 49.84 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.49 -0.418 . . . . 73.319999999999993 110.444 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -94.93 140.86 29.35 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.043 0.449 . . . . 75.120000000000005 111.353 -175.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -138.27 149.0 45.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.065 0.459 . . . . 73.239999999999995 111.327 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.0 108.98 18.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.043 0.449 . . . . 63.5 111.715 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.7 133.37 55.93 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.881 0.372 . . . . 75.530000000000001 111.012 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 38' ' ' LYS . 10.4 pt-20 -150.4 114.41 5.07 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.333 0.587 . . . . 73.540000000000006 111.678 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -125.67 159.5 32.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.189 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 71.7 p -116.33 118.69 33.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.08 0.467 . . . . 74.209999999999994 112.256 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.66 146.16 25.6 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.029 0.443 . . . . 72.150000000000006 111.507 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.91 -24.22 59.66 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.215 0.531 . . . . 73.209999999999994 111.431 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -120.77 150.09 41.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.01 -0.541 . . . . 72.010000000000005 110.532 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.67 115.49 10.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.977 0.418 . . . . 73.420000000000002 110.031 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -78.43 -174.04 3.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 112.21 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 92.6 mtt180 -57.7 178.16 0.09 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.237 0.541 . . . . 73.510000000000005 111.596 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 2.7 mptp? -120.16 -72.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.105 -0.372 . . . . 74.409999999999997 110.809 173.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.21 73.67 5.8 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.548 0.69 . . . . 74.099999999999994 110.975 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.2 165.09 22.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 42.030000000000001 111.16 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -103.12 163.06 12.45 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.545 0.688 . . . . 75.329999999999998 111.958 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 78' ' ' TRP . 3.5 tt -148.14 126.44 12.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.6 -0.727 . . . . 65.049999999999997 109.588 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.528 HH21 ' HG2' ' A' ' 10' ' ' GLU . 77.5 mtp180 -88.97 121.93 31.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.619 -0.264 . . . . 74.420000000000002 110.447 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 11' ' ' TYR . 28.3 m -112.62 120.06 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 122.202 1.001 . . . . 72.200000000000003 112.022 -176.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 24.2 t80 -69.92 99.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.33 -1.305 . . . . 73.519999999999996 111.655 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.694 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 38.3 t-80 -80.1 98.25 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.0 0.428 . . . . 72.120000000000005 111.391 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 t -99.05 154.0 18.44 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.071 -0.513 . . . . 54.009999999999998 110.338 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.94 -16.4 50.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.809 0.67 . . . . 74.319999999999993 112.809 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HZ2' ' HB3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -72.92 -10.89 60.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.0 0.37 . . . . 74.540000000000006 112.0 176.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 67.35 178.62 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.166 0.507 . . . . 63.350000000000001 112.01 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.64 1.52 53.55 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.092 -0.504 . . . . 72.140000000000001 113.795 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.1 t 66.4 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.655 0.74 . . . . 62.539999999999999 112.222 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.436 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 45.2 t -81.63 -37.56 27.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.016 -0.538 . . . . 75.329999999999998 111.477 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.57 157.51 38.37 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.463 -0.335 . . . . 73.540000000000006 111.001 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.544 ' HB2' HD23 ' A' ' 65' ' ' LEU . 66.1 p-90 -136.25 119.42 16.6 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.062 0.458 . . . . 75.409999999999997 111.272 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.87 125.8 52.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.892 0.377 . . . . 75.209999999999994 110.673 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -88.06 121.37 30.39 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.78 0.324 . . . . 61.25 111.307 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.04 -178.5 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 121.572 0.701 . . . . 54.310000000000002 112.817 -173.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -115.33 167.29 10.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.835 -0.621 . . . . 74.219999999999999 110.783 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -70.02 -20.86 63.24 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.185 0.439 . . . . 72.239999999999995 112.185 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.28 -21.35 64.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.029 0.442 . . . . 75.5 111.5 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -96.06 4.85 52.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.237 -0.438 . . . . 74.109999999999999 111.987 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.0 mt -101.41 150.2 37.01 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.348 -0.387 . . . . 74.120000000000005 111.049 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.428 ' HG2' HG22 ' A' ' 90' ' ' VAL . 15.8 Cg_endo -57.54 143.04 95.53 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.278 1.985 . . . . 62.420000000000002 112.289 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.35 61.67 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.299 0.481 . . . . 65.099999999999994 112.299 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 40.3 mmtm -56.3 -35.45 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.234 0.457 . . . . 70.010000000000005 112.234 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.428 HG22 ' HG2' ' A' ' 87' ' ' PRO . 66.6 t -68.3 -40.43 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.077 0.465 . . . . 73.329999999999998 111.333 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 115.975 -0.557 . . . . 71.209999999999994 111.608 -178.83 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 11.2 mmpt? . . . . . 0 CA--C 1.539 0.542 0 CA-C-O 120.697 0.284 . . . . 74.510000000000005 111.328 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 69' ' ' HIS . 18.8 m-20 -75.17 112.37 11.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.692 0.282 . . . . 62.219999999999999 111.721 175.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -106.61 120.73 42.74 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.174 0.511 . . . . 74.329999999999998 111.256 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -116.82 134.51 54.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 111.292 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.16 100.44 12.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.062 0.458 . . . . 73.530000000000001 110.919 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.42 141.18 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 120.862 0.363 . . . . 62.229999999999997 111.853 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.3 pt20 -92.19 139.19 30.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.761 0.315 . . . . 64.230000000000004 110.904 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.65 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 22.3 mm -66.14 125.24 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.04 0.448 . . . . 72.329999999999998 111.023 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.8 p -84.52 -71.18 0.53 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.986 -0.552 . . . . 72.439999999999998 111.897 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.6 148.66 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.916 0.389 . . . . 61.340000000000003 111.51 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.2 172.3 11.95 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.156 0.503 . . . . 42.350000000000001 111.513 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.51 7.29 64.14 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.821 0.689 . . . . 61.409999999999997 114.821 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.09 91.01 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.77 0.785 . . . . 64.439999999999998 110.878 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.75 138.76 46.7 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.057 0.456 . . . . 54.229999999999997 111.76 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.1 m -80.3 64.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.642 0.735 . . . . 45.109999999999999 111.183 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 CA--C 1.548 0.894 0 CA-C-N 115.992 -0.549 . . . . 74.209999999999994 110.922 -177.868 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.236 0.382 0 CA-C-O 120.706 0.288 . . . . 73.129999999999995 110.559 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -147.12 80.94 1.53 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.507 0.558 . . . . 65.129999999999995 112.507 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -115.39 144.71 43.39 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.709 -0.478 . . . . 74.209999999999994 109.709 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -81.04 132.48 35.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.166 0.508 . . . . 72.329999999999998 112.036 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.447 ' HA ' HG21 ' A' ' 54' ' ' THR . 33.1 tt0 -87.17 124.36 33.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.595 -0.73 . . . . 74.129999999999995 111.518 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 98.6 m-85 -120.64 108.04 13.54 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.985 0.422 . . . . 75.120000000000005 111.595 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -117.86 116.09 26.27 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.007 -0.542 . . . . 70.040000000000006 110.562 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.62 154.7 43.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.012 0.434 . . . . 54.439999999999998 112.155 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 49' ' ' LYS . 44.7 m -108.7 123.55 49.17 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.969 0.414 . . . . 74.230000000000004 111.863 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.17 126.95 8.93 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 116.332 -0.394 . . . . 42.140000000000001 112.662 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -103.25 106.26 16.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.757 0.313 . . . . 64.319999999999993 111.158 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -163.08 174.1 12.67 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.649 -0.25 . . . . 74.030000000000001 110.937 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 40.8 ttmt 61.02 70.85 0.59 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.351 0.596 . . . . 73.409999999999997 111.131 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 65.75 18.99 11.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.69 -0.686 . . . . 72.239999999999995 112.679 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.88 17.47 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.228 -0.511 . . . . 53.450000000000003 114.122 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 75.9 mmtt -69.47 121.36 16.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.149 0.475 . . . . 61.420000000000002 110.883 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.81 102.61 13.72 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.459 0.647 . . . . 72.450000000000003 110.872 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.444 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 tptp -104.46 131.22 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 70.340000000000003 111.091 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 95.65 10.35 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.367 0.603 . . . . 72.349999999999994 110.615 172.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 67' ' ' VAL . 3.9 mp -88.08 144.3 26.58 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 73.239999999999995 111.219 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -134.61 129.57 35.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.144 -0.48 . . . . 73.420000000000002 110.988 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 21.1 p90 -150.97 130.4 12.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.302 -0.408 . . . . 74.5 111.302 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 36' ' ' GLU . 44.6 p -100.14 129.73 46.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 72.120000000000005 111.616 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.41 144.79 42.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.312 -0.403 . . . . 73.129999999999995 111.751 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -64.16 -28.69 69.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.109 0.411 . . . . 72.400000000000006 112.109 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -134.87 156.87 48.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.865 0.364 . . . . 75.340000000000003 111.76 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -58.88 120.45 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.814 0.672 . . . . 55.0 112.814 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.1 mt -85.59 170.51 12.51 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.087 -0.506 . . . . 63.210000000000001 110.764 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -88.04 133.66 33.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.979 0.418 . . . . 73.450000000000003 110.959 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -100.92 170.52 8.24 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.15 0.426 . . . . 72.340000000000003 112.15 -174.542 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 74.33 -43.74 0.54 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.42 0.688 . . . . 74.430000000000007 111.47 -175.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.12 30.46 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.001 0.429 . . . . 71.239999999999995 111.538 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 56.5 m-85 -100.38 157.54 16.55 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.261 0.553 . . . . 71.510000000000005 112.186 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.504 HD11 HG12 ' A' ' 15' ' ' ILE . 2.8 mp -131.4 145.37 51.78 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.08 -0.509 . . . . 74.129999999999995 110.39 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -81.44 98.28 8.16 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.651 -0.5 . . . . 61.420000000000002 109.651 170.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.556 HG21 HD22 ' A' ' 51' ' ' LEU . 22.1 m -88.79 125.42 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.944 0.878 . . . . 74.219999999999999 111.867 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.412 ' HE1' ' HD3' ' A' ' 8' ' ' LYS . 28.7 t80 -69.51 99.6 1.28 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.519 -1.219 . . . . 74.230000000000004 110.572 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 13.0 t-80 -78.06 109.98 12.61 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.878 -0.601 . . . . 73.329999999999998 111.94 -177.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -125.11 132.69 53.08 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.643 -0.708 . . . . 63.020000000000003 110.95 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.43 -17.33 12.54 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.015 0.376 . . . . 72.340000000000003 112.015 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -56.67 -62.48 1.7 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 111.997 0.369 . . . . 74.519999999999996 111.997 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.12 19.86 2.61 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.832 0.825 . . . . 74.310000000000002 111.376 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.22 -67.09 2.81 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 121.124 -0.56 . . . . 36.780000000000001 112.577 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.52 110.86 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 120.823 0.344 . . . . 51.229999999999997 111.387 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.7 m -103.65 -6.74 21.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.861 0.362 . . . . 50.240000000000002 111.372 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.88 151.0 23.12 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.602 -0.272 . . . . 54.340000000000003 111.418 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.473 ' HB3' HG12 ' A' ' 67' ' ' VAL . 14.2 p-90 -156.73 141.33 16.82 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.832 0.349 . . . . 72.310000000000002 111.912 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -136.72 147.72 46.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.398 -0.365 . . . . 74.540000000000006 111.135 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.18 139.86 37.88 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.846 0.684 . . . . 73.340000000000003 112.846 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.72 127.27 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.136 0.575 . . . . 73.400000000000006 110.667 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -73.87 134.49 43.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.801 -0.562 . . . . 70.239999999999995 111.656 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.66 -18.48 59.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 73.310000000000002 111.707 -177.181 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.76 -20.35 65.94 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.272 0.471 . . . . 72.030000000000001 112.272 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.5 5.64 14.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.461 0.541 . . . . 71.340000000000003 112.461 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 83' ' ' LYS . 10.9 mp -78.82 143.09 61.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-O 120.657 0.265 . . . . 71.120000000000005 111.337 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.419 ' O ' HG13 ' A' ' 90' ' ' VAL . 24.8 Cg_endo -59.81 142.65 99.03 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.992 2.461 . . . . 61.229999999999997 113.771 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.53 69.78 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.783 0.661 . . . . 44.350000000000001 112.783 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -60.48 -35.5 76.06 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.379 0.511 . . . . 50.009999999999998 112.379 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 87' ' ' PRO . 12.9 p -82.71 -33.62 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 120.969 0.414 . . . . 43.210000000000001 110.955 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' A' ' 91' ' ' LYS . 6.0 tmtm? . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 121.209 0.528 . . . . 74.239999999999995 110.136 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 21.3 pttp . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.819 0.674 . . . . 73.030000000000001 112.819 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -168.69 -179.58 3.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 64.420000000000002 110.48 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.91 114.17 20.1 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.007 0.432 . . . . 52.200000000000003 111.115 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.704 ' HE1' ' HB2' ' A' ' 69' ' ' HIS . 79.0 m-85 -92.2 136.14 33.43 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 122.219 -0.3 . . . . 74.430000000000007 110.944 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.75 100.17 11.73 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.07 0.462 . . . . 72.530000000000001 110.709 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -120.88 148.14 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 112.371 0.508 . . . . 75.129999999999995 112.371 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -93.56 148.05 22.44 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.67 -0.493 . . . . 74.450000000000003 109.67 176.017 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.62 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 23.7 mm -65.6 93.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 73.319999999999993 111.847 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -80.23 -59.73 2.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.429 . . . . 75.019999999999996 111.558 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.46 125.44 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 121.106 0.479 . . . . 64.420000000000002 111.892 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -131.28 164.97 24.42 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.143 0.497 . . . . 63.43 111.997 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.89 9.18 65.61 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 114.794 0.678 . . . . 73.209999999999994 114.794 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -68.73 95.64 0.68 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.573 0.687 . . . . 70.409999999999997 111.519 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 42.9 mt-10 -75.21 106.32 6.67 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.303 0.573 . . . . 73.430000000000007 112.144 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 m -84.4 83.91 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.826 0.822 . . . . 73.120000000000005 112.634 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.725 ' HB3' ' HD3' ' A' ' 33' ' ' LYS . 7.6 p80 . . . . . 0 N--CA 1.472 0.638 0 CA-C-N 115.791 -0.641 . . . . 70.299999999999997 111.019 173.333 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.727 0.299 . . . . 71.230000000000004 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.725 ' HD3' ' HB3' ' A' ' 23' ' ' HIS . 11.9 pttp -163.57 129.36 3.11 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.218 0.532 . . . . 74.140000000000001 112.244 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 4.8 m-20 -86.16 175.32 8.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.903 -0.589 . . . . 74.200000000000003 111.163 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -105.27 107.52 18.54 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.985 0.421 . . . . 65.319999999999993 111.642 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.28 140.53 40.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.179 0.514 . . . . 72.219999999999999 111.679 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 65.7 m-85 -121.9 96.67 5.15 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.079 -0.509 . . . . 74.409999999999997 110.678 175.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 52' ' ' GLU . 56.2 tptt -80.53 90.72 5.71 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.21 -0.45 . . . . 65.540000000000006 110.679 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -113.51 123.87 51.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.885 0.374 . . . . 71.439999999999998 111.735 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.4 m -81.64 114.07 20.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.887 0.375 . . . . 73.510000000000005 111.23 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.64 142.37 16.05 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.178 -0.534 . . . . 72.329999999999998 113.167 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -105.96 106.46 16.98 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.066 0.46 . . . . 75.420000000000002 111.238 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 33.3 t70 -88.81 156.46 18.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.052 -0.522 . . . . 71.540000000000006 112.14 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 70.85 -66.6 0.28 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.566 -0.743 . . . . 71.319999999999993 111.409 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -154.1 -44.44 0.09 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.767 0.318 . . . . 54.009999999999998 111.163 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.94 23.02 0.28 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 120.704 -0.76 . . . . 54.240000000000002 114.218 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 10.9 mmpt? -91.19 119.36 31.22 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 117.306 0.553 . . . . 74.019999999999996 110.351 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -96.78 132.68 42.25 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.118 0.785 . . . . 64.129999999999995 113.118 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -128.74 153.06 47.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.569 -0.741 . . . . 73.420000000000002 109.752 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -87.67 112.62 22.54 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 120.874 0.369 . . . . 73.049999999999997 111.495 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.23 109.15 19.51 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.47 -0.332 . . . . 71.349999999999994 110.932 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -120.74 133.56 55.33 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.081 0.467 . . . . 70.109999999999999 111.136 178.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.525 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 49.9 p90 -138.52 156.05 47.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.907 0.385 . . . . 74.510000000000005 111.628 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.8 p -100.03 117.33 34.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.995 0.426 . . . . 74.219999999999999 111.001 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.26 150.93 22.8 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.283 0.563 . . . . 74.349999999999994 112.127 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -66.81 -29.58 69.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.516 -0.765 . . . . 73.310000000000002 112.247 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -143.5 165.38 27.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.36 0.6 . . . . 73.120000000000005 112.391 -172.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 147.36 48.21 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.714 -0.676 . . . . 65.5 109.942 169.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.59 -178.66 3.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.875 0.324 . . . . 61.420000000000002 111.875 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -70.13 105.84 3.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.284 0.564 . . . . 64.409999999999997 111.448 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.22 -23.51 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.789 -0.641 . . . . 71.310000000000002 112.658 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.85 13.65 27.95 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.229 0.455 . . . . 72.329999999999998 112.229 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.22 171.25 7.48 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.137 0.494 . . . . 73.099999999999994 112.14 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 24.9 m-85 -111.57 133.64 53.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.166 -0.47 . . . . 71.340000000000003 111.021 176.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.67 125.16 45.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.253 0.464 . . . . 74.319999999999993 112.253 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 14.2 mtp180 -89.54 92.69 9.2 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.805 -0.634 . . . . 75.099999999999994 109.996 170.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 11' ' ' TYR . 31.1 m -90.85 145.65 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.776 0.798 . . . . 71.140000000000001 112.804 -175.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -88.59 116.89 27.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.669 -1.15 . . . . 65.310000000000002 111.747 -174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.704 ' HB2' ' HE1' ' A' ' 11' ' ' TYR . 20.2 t-160 -74.34 129.44 37.8 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.397 0.618 . . . . 74.420000000000002 112.565 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 67.7 m -147.42 109.03 4.35 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.16 -0.682 . . . . 60.020000000000003 109.16 168.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.11 -25.71 46.98 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.558 0.948 . . . . 74.209999999999994 113.558 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 19.15 19.26 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.748 -0.595 . . . . 74.329999999999998 112.578 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.1 OUTLIER -143.67 -15.09 0.64 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.087 0.403 . . . . 64.150000000000006 112.087 179.127 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.78 -83.63 0.69 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.2 -0.524 . . . . 64.019999999999996 112.58 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 95.6 t -136.54 113.65 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.742 0.306 . . . . 73.310000000000002 111.341 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.6 t -93.73 -14.38 26.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.638 0.256 . . . . 65.310000000000002 111.507 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.29 155.44 17.93 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.627 -0.26 . . . . 60.399999999999999 111.026 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -151.27 142.52 23.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.145 0.498 . . . . 75.310000000000002 111.997 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 33.3 mt-10 -110.78 143.7 40.9 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.076 -0.511 . . . . 55.119999999999997 110.701 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.22 105.0 15.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.847 0.356 . . . . 71.430000000000007 110.953 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.431 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 34.4 m -120.36 -179.81 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.273 0.472 . . . . 73.430000000000007 112.273 -175.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 168.98 9.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.063 0.459 . . . . 75.030000000000001 111.505 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -75.4 -19.8 59.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.636 0.606 . . . . 62.25 112.636 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.16 -10.39 59.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.991 -0.443 . . . . 71.230000000000004 112.086 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.431 ' OE2' ' HB ' ' A' ' 81' ' ' VAL . 45.0 mt-10 -87.76 -1.87 58.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.823 0.305 . . . . 73.219999999999999 111.823 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 83' ' ' LYS . 7.1 mp -92.98 131.32 33.58 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.736 -0.211 . . . . 73.530000000000001 110.69 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.13 145.37 65.13 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.598 2.199 . . . . 64.450000000000003 112.795 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.0 71.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.146 0.424 . . . . 73.200000000000003 112.146 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -57.38 -21.78 38.34 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.5 0.556 . . . . 72.120000000000005 112.5 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.46 -51.92 64.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.019 0.438 . . . . 74.140000000000001 110.655 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.225 0.536 . . . . 65.219999999999999 110.566 176.074 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.839 0.352 . . . . 73.409999999999997 111.125 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -119.28 156.75 29.39 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.011 0.434 . . . . 65.099999999999994 112.015 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 6.7 pt-20 -106.5 102.14 11.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.183 0.516 . . . . 74.030000000000001 110.252 172.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.497 ' HB3' ' HA3' ' A' ' 41' ' ' GLY . 51.9 m-85 -93.46 123.1 36.54 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.976 -0.453 . . . . 73.540000000000006 111.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.63 103.63 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.067 -0.515 . . . . 72.420000000000002 110.437 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -102.37 165.71 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.244 0.545 . . . . 62.409999999999997 112.363 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -125.55 140.29 52.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.756 -0.656 . . . . 64.030000000000001 109.705 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -67.16 100.45 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.106 0.479 . . . . 65.430000000000007 112.093 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.5 p -84.72 -67.7 0.78 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.112 0.482 . . . . 71.129999999999995 110.892 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 m -114.28 131.13 67.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.186 -0.461 . . . . 74.340000000000003 111.373 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.03 159.74 36.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.869 0.692 . . . . 72.340000000000003 112.869 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.96 9.02 70.33 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 115.778 1.071 . . . . 74.329999999999998 115.778 171.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.15 100.32 2.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.372 1.086 . . . . 50.039999999999999 111.191 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.0 124.07 30.06 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.154 -0.475 . . . . 65.219999999999999 111.469 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 22' ' ' VAL . 28.4 m -78.11 81.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 121.973 0.892 . . . . 75.140000000000001 111.267 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 . . . . . 0 N--CA 1.474 0.761 0 CA-C-N 115.809 -0.632 . . . . 73.0 111.457 176.294 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 p90 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.25 0.463 . . . . 70.120000000000005 112.25 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.76 106.08 9.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.278 -0.419 . . . . 72.120000000000005 110.914 173.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -98.75 132.07 44.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 75.409999999999997 110.747 174.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -88.2 108.28 19.21 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.354 -0.384 . . . . 73.519999999999996 110.787 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.8 125.14 41.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.954 0.407 . . . . 71.140000000000001 111.83 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.519 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 30.5 m-85 -119.62 117.01 27.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.693 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -113.01 118.89 36.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.065 0.459 . . . . 75.120000000000005 110.977 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 171.34 14.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.879 -0.6 . . . . 73.530000000000001 111.76 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.8 m -107.53 129.84 54.93 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.286 0.476 . . . . 72.129999999999995 112.286 -175.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.497 ' HA3' ' HB3' ' A' ' 11' ' ' TYR . . . -116.5 140.74 16.26 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.155 -0.475 . . . . 75.349999999999994 112.809 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.59 140.46 51.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.835 0.35 . . . . 74.319999999999993 111.609 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.01 165.33 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.214 -0.448 . . . . 75.239999999999995 111.614 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 52.6 -86.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.792 0.837 . . . . 62.32 112.899 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.517 ' HB2' ' HG3' ' A' ' 47' ' ' LYS . 23.1 m-20 -85.16 -5.12 59.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.945 0.402 . . . . 61.439999999999998 111.75 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.13 19.01 68.0 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.182 -0.532 . . . . 53.109999999999999 112.717 -176.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HG3' ' HB2' ' A' ' 45' ' ' ASP . 66.9 mttm -71.9 146.05 48.11 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.646 0.26 . . . . 75.510000000000005 111.056 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.01 106.41 18.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.256 0.55 . . . . 74.439999999999998 112.196 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -99.84 136.45 39.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.943 -0.571 . . . . 44.32 110.179 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.58 37.93 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.994 0.426 . . . . 75.150000000000006 111.086 175.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -134.9 150.44 50.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.995 0.426 . . . . 74.219999999999999 111.095 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -138.28 134.62 34.58 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.811 0.339 . . . . 62.420000000000002 111.159 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -138.86 142.88 38.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.995 0.426 . . . . 75.439999999999998 111.57 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 p -99.55 109.42 21.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.067 0.461 . . . . 74.400000000000006 110.913 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.61 150.34 21.25 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.332 0.587 . . . . 37.490000000000002 112.076 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -74.36 -18.83 60.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.56 -0.745 . . . . 75.540000000000006 111.79 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -129.47 160.52 32.9 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.933 0.397 . . . . 75.129999999999995 111.698 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.519 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 8.4 m120 -83.52 101.67 11.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.948 0.404 . . . . 73.219999999999999 110.839 171.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.497 HD23 HD22 ' A' ' 65' ' ' LEU . 1.8 pp -71.07 -175.02 1.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.168 -0.469 . . . . 64.129999999999995 111.954 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -101.38 144.05 30.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.92 0.711 . . . . 63.219999999999999 112.92 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 23.1 pttm -90.77 179.39 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.359 -0.608 . . . . 75.25 109.359 165.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 68.9 mm-40 65.96 18.29 11.02 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.45 0.643 . . . . 75.030000000000001 110.45 -170.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.22 172.69 12.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.808 -0.633 . . . . 75.510000000000005 111.612 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -125.72 151.75 46.24 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 65.319999999999993 110.119 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 59' ' ' LEU . 4.2 mp -127.86 144.09 51.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.871 -0.518 . . . . 63.210000000000001 112.239 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -86.27 97.55 10.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.932 -0.576 . . . . 71.540000000000006 109.785 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.08 130.87 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.521 0.677 . . . . 61.439999999999998 111.243 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 31.6 t80 -81.3 106.7 13.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.894 -1.048 . . . . 74.409999999999997 111.786 -173.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -74.23 105.07 5.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.417 -0.356 . . . . 75.530000000000001 111.241 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.8 p -132.79 100.78 5.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.234 -0.439 . . . . 63.100000000000001 110.799 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.31 0.31 1.49 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.902 0.704 . . . . 74.109999999999999 112.902 -174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -78.94 -29.39 44.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.867 0.365 . . . . 72.349999999999994 110.574 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -139.29 10.4 2.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.788 0.435 . . . . 73.019999999999996 111.762 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.24 -66.02 1.93 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 120.913 -0.661 . . . . 70.030000000000001 112.074 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.77 128.46 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 123.006 0.522 . . . . 74.030000000000001 110.868 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 37.7 t -99.38 -33.88 10.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.023 0.379 . . . . 74.299999999999997 112.023 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.28 175.4 12.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.39 0.515 . . . . 73.340000000000003 112.39 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -155.16 140.39 17.58 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.735 -0.666 . . . . 72.420000000000002 111.446 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 43.8 mt-10 -119.59 134.09 55.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.589 0.233 . . . . 74.230000000000004 111.322 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -90.21 109.64 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.818 0.342 . . . . 60.509999999999998 111.187 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.0 m -109.56 172.59 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 120.895 0.379 . . . . 72.430000000000007 111.104 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -118.51 145.66 45.13 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.421 0.629 . . . . 75.239999999999995 112.232 -177.107 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -4.9 2.07 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.444 0.905 . . . . 64.400000000000006 113.444 -177.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.01 -22.61 58.4 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.026 0.38 . . . . 73.299999999999997 112.026 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.7 pt-20 -98.57 1.16 46.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.989 0.423 . . . . 74.299999999999997 111.891 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.5 mt -89.39 122.56 68.34 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.495 -0.321 . . . . 75.120000000000005 111.241 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.24 137.06 54.45 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.772 2.314 . . . . 74.200000000000003 112.767 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.13 64.66 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.007 0.373 . . . . 73.310000000000002 112.007 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -60.33 -37.45 80.67 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.393 0.516 . . . . 72.209999999999994 112.393 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.09 -37.58 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.646 0.736 . . . . 74.239999999999995 110.525 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 CA--C 1.544 0.741 0 CA-C-N 115.617 -0.72 . . . . 75.319999999999993 110.888 177.462 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 120.94 0.4 . . . . 61.32 111.272 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.67 174.98 8.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.094 -0.503 . . . . 54.0 110.421 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.0 136.55 45.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.549 0.69 . . . . 73.409999999999997 111.707 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -100.41 124.44 45.92 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.99 -0.55 . . . . 71.530000000000001 110.658 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.88 107.61 8.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 72.420000000000002 111.199 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.471 HG11 ' HA2' ' A' ' 41' ' ' GLY . 16.1 m -113.35 140.5 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.12 -0.491 . . . . 71.129999999999995 111.112 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.32 138.45 42.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.971 0.415 . . . . 62.420000000000002 111.239 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.39 102.95 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 112.769 0.655 . . . . 62.450000000000003 112.769 -174.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -94.09 -67.93 0.83 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.835 -0.62 . . . . 73.140000000000001 112.26 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.19 140.5 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 112.347 0.499 . . . . 74.530000000000001 112.347 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -131.7 155.02 48.38 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.961 0.41 . . . . 74.540000000000006 111.721 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.2 8.28 65.05 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 114.905 0.722 . . . . 64.109999999999999 114.905 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -75.12 89.77 2.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 117.554 0.677 . . . . 73.319999999999993 110.343 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.484 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 37.0 mt-10 -98.91 123.69 43.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.629 0.603 . . . . 54.140000000000001 112.629 -172.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -89.13 84.0 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.695 0.759 . . . . 65.450000000000003 112.205 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.55 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 14.1 t-80 . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 116.07 -0.514 . . . . 72.439999999999998 111.802 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 23' ' ' HIS . 20.2 m-85 . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 120.929 0.395 . . . . 74.310000000000002 110.001 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 48.4 tttm -149.68 69.93 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.304 0.573 . . . . 70.219999999999999 110.457 -174.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.49 153.42 21.87 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.702 -0.681 . . . . 63.340000000000003 112.04 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -76.89 124.79 28.25 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.09 -0.505 . . . . 73.099999999999994 111.487 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -109.24 119.95 41.05 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.775 -0.648 . . . . 74.450000000000003 111.279 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.1 119.75 36.21 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.32 -0.4 . . . . 72.239999999999995 111.574 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -115.18 118.44 33.34 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.39 . . . . 60.119999999999997 110.455 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.8 154.33 40.34 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.366 0.603 . . . . 74.239999999999995 112.061 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.2 m -83.61 113.02 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 70.310000000000002 111.346 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.471 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -89.82 141.94 16.32 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.139 -0.553 . . . . 50.43 112.956 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 97.4 m-85 -106.23 127.73 53.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.134 0.492 . . . . 73.049999999999997 111.674 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.95 161.87 29.15 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.705 -0.68 . . . . 71.129999999999995 111.904 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -65.02 -9.57 22.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.667 0.988 . . . . 55.049999999999997 113.667 -177.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.49 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 30.2 t70 -96.79 -10.3 26.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.19 0.519 . . . . 63.240000000000002 110.841 172.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.53 49.4 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 116.243 -0.435 . . . . 60.439999999999998 113.092 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 62.6 mttp -119.8 153.86 35.11 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.643 -0.328 . . . . 73.450000000000003 110.845 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.38 154.79 17.23 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.471 0.545 . . . . 74.510000000000005 112.471 -175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -170.06 143.56 2.52 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.966 -0.561 . . . . 75.530000000000001 111.031 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -83.8 115.9 22.46 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.749 0.309 . . . . 53.439999999999998 111.695 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.44 153.69 25.76 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.254 0.55 . . . . 72.129999999999995 111.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -141.61 144.34 34.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.015 -0.539 . . . . 73.140000000000001 110.446 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -165.17 165.03 20.07 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.27 0.557 . . . . 74.409999999999997 112.078 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.6 p -104.11 129.99 51.81 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.888 -0.597 . . . . 65.209999999999994 111.166 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.64 142.77 31.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.277 0.56 . . . . 70.409999999999997 112.163 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.51 -8.18 59.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.451 0.643 . . . . 71.120000000000005 110.884 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -141.44 163.76 32.06 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.898 -0.592 . . . . 60.240000000000002 110.605 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -79.21 105.67 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.883 -0.784 . . . . 64.510000000000005 108.883 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.544 HD12 HD13 ' A' ' 65' ' ' LEU . 46.1 mt -65.47 152.96 42.71 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.064 0.765 . . . . 73.310000000000002 113.064 -169.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.66 111.44 3.18 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.976 -0.556 . . . . 73.120000000000005 111.624 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -56.89 139.26 52.13 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.051 0.453 . . . . 74.209999999999994 112.172 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.75 18.02 11.24 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.753 -0.658 . . . . 75.420000000000002 111.66 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.73 162.68 12.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.037 -0.414 . . . . 75.010000000000005 110.64 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 55.1 m-85 -110.59 130.1 55.65 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.451 0.643 . . . . 73.230000000000004 112.176 -176.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' ' 80' ' ' GLU . 95.7 mt -100.19 127.59 46.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 75.420000000000002 110.967 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -81.96 87.34 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.356 -0.609 . . . . 71.109999999999999 109.356 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.29 128.71 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.362 0.601 . . . . 64.409999999999997 112.016 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.19 95.87 0.79 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.341 -0.845 . . . . 74.019999999999996 110.392 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 53.4 t-80 -94.14 106.43 18.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.627 0.603 . . . . 74.340000000000003 112.627 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' LYS . 46.9 m -97.05 92.04 5.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.275 -0.42 . . . . 73.019999999999996 111.392 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 54.46 -80.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.244 0.617 . . . . 72.319999999999993 112.592 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 18.1 ptpt -66.93 -67.5 0.45 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.114 0.483 . . . . 64.019999999999996 110.77 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.789 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 53.2 mtmt -155.44 -64.29 0.12 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.558 0.743 . . . . 71.540000000000006 109.382 -175.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.51 -80.94 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.09 -0.505 . . . . 75.010000000000005 113.08 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 75' ' ' VAL . 16.1 t 59.48 43.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.73 0.776 . . . . 64.329999999999998 111.572 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.6 t -53.37 -43.22 67.62 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.335 0.588 . . . . 70.239999999999995 110.933 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.28 42.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.801 -0.636 . . . . 72.129999999999995 111.102 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -140.35 142.73 35.54 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.272 -0.422 . . . . 73.040000000000006 111.3 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 35.3 mt-10 -117.77 137.33 52.8 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.415 -0.357 . . . . 71.150000000000006 110.85 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.585 ' HA ' HD22 ' A' ' 65' ' ' LEU . 31.0 tt0 -97.11 94.96 7.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.03 0.443 . . . . 71.349999999999994 111.217 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.33 -179.82 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.172 0.511 . . . . 64.129999999999995 111.904 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -107.88 166.66 10.54 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.376 0.608 . . . . 72.409999999999997 112.21 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -78.91 -27.88 43.84 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.806 -0.633 . . . . 75.25 111.378 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -39.07 81.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.202 0.445 . . . . 63.32 112.202 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.11 3.56 26.53 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.933 0.716 . . . . 65.010000000000005 112.933 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.95 142.9 98.25 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 120.579 0.228 . . . . 74.540000000000006 111.455 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.628 ' O ' HG12 ' A' ' 90' ' ' VAL . 13.9 Cg_endo -55.04 135.67 69.76 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.992 2.461 . . . . 71.209999999999994 113.27 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 91' ' ' LYS . . . -49.37 -36.52 21.88 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.061 0.763 . . . . 63.039999999999999 113.061 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . 69.7 mmtt -69.15 -22.1 63.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.139 0.792 . . . . 75.120000000000005 113.139 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 87' ' ' PRO . 5.2 p -73.66 -35.51 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.939 -0.476 . . . . 64.209999999999994 110.948 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 19.3 ptpt . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 64.099999999999994 110.934 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 CA--C 1.543 0.684 0 CA-C-O 120.923 0.392 . . . . 71.340000000000003 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -140.2 144.73 36.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.551 0.34 . . . . 74.109999999999999 110.099 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 136.86 52.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.253 0.549 . . . . 73.230000000000004 111.828 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -110.6 126.72 54.75 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.115 -0.493 . . . . 64.299999999999997 110.888 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.73 100.06 11.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.937 0.399 . . . . 64.239999999999995 110.627 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.52 133.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.869 0.366 . . . . 72.430000000000007 111.535 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.2 pt20 -88.79 147.62 24.34 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.077 0.465 . . . . 71.409999999999997 111.693 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.59 98.75 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 120.897 0.379 . . . . 75.019999999999996 111.466 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.02 -57.15 8.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.133 0.492 . . . . 71.519999999999996 110.917 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.05 126.11 74.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.047 -0.524 . . . . 74.140000000000001 111.427 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.01 176.35 5.2 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.885 0.374 . . . . 74.239999999999995 110.471 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.64 8.33 67.19 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 121.126 -0.559 . . . . 64.519999999999996 114.35 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 36' ' ' GLU . 55.6 mmtt -74.1 137.36 43.24 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.574 0.687 . . . . 63.420000000000002 110.086 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 36.5 mt-10 -133.94 122.77 23.58 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.691 0.256 . . . . 72.310000000000002 111.691 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 36' ' ' GLU . 3.8 m -73.55 78.22 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.864 0.84 . . . . 71.219999999999999 111.158 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.479 -0.782 . . . . 74.310000000000002 112.388 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.663 -0.495 . . . . 74.420000000000002 109.663 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -152.14 101.86 2.74 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 122.327 -0.233 . . . . 63.399999999999999 110.929 -174.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -112.38 156.76 21.95 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.728 0.299 . . . . 73.409999999999997 111.301 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 76.6 m-85 -102.7 164.14 11.81 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.402 0.89 . . . . 73.530000000000001 113.402 -171.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.638 ' HB2' HG13 ' A' ' 22' ' ' VAL . 41.4 tt0 -133.72 142.35 47.93 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.573 -0.739 . . . . 70.340000000000003 111.074 -170.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -143.06 107.84 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.109 0.48 . . . . 73.329999999999998 111.779 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 40.3 ttmt -96.31 101.3 12.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.322 -0.399 . . . . 73.340000000000003 110.388 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.8 mt -123.36 168.46 12.49 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.162 0.506 . . . . 64.099999999999994 111.329 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -108.0 112.5 25.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.008 0.433 . . . . 73.219999999999999 111.207 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 112.82 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.084 -0.579 . . . . 75.230000000000004 112.496 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -89.47 116.03 27.35 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.028 0.442 . . . . 73.030000000000001 110.64 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.02 156.89 38.49 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.115 -0.493 . . . . 75.430000000000007 112.021 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -50.05 -42.15 49.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.692 -0.686 . . . . 63.340000000000003 112.519 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -73.15 -24.44 60.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.03 0.443 . . . . 74.400000000000006 111.469 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.0 31.16 1.47 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 121.423 -0.418 . . . . 71.219999999999999 113.211 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -96.26 170.91 8.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.827 0.346 . . . . 75.209999999999994 111.249 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 137.36 48.28 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.933 0.396 . . . . 74.510000000000005 110.856 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -140.05 137.64 34.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.013 0.435 . . . . 52.200000000000003 111.127 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.71 123.17 20.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.308 -0.406 . . . . 71.25 111.383 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.641 HD21 HG23 ' A' ' 67' ' ' VAL . 22.0 tp -136.77 86.75 2.23 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.229 0.537 . . . . 70.439999999999998 112.216 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HG3' ' HG3' ' A' ' 38' ' ' LYS . 8.0 mp0 -105.0 111.04 23.68 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.309 -0.405 . . . . 74.5 110.71 177.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -131.54 161.47 32.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.337 0.589 . . . . 74.019999999999996 112.272 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -108.4 169.58 8.55 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.079 -0.51 . . . . 72.230000000000004 111.447 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.37 160.42 41.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.221 0.534 . . . . 40.240000000000002 111.529 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -95.98 -1.53 48.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.066 -0.516 . . . . 74.420000000000002 111.05 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -161.04 145.43 13.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 110.631 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.64 125.07 30.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.53 0.205 . . . . 55.140000000000001 110.535 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.35 -165.92 1.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.922 0.392 . . . . 72.439999999999998 111.53 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -85.14 128.1 34.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.83 0.678 . . . . 73.019999999999996 112.83 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.501 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.15 153.22 12.13 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.609 -0.723 . . . . 65.400000000000006 112.484 177.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 67.66 -14.27 0.22 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.259 0.837 . . . . 64.329999999999998 113.259 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.92 146.68 51.03 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.966 -0.458 . . . . 73.450000000000003 111.17 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 65.9 m-85 -91.86 114.03 26.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.118 0.485 . . . . 75.140000000000001 111.798 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.7 mt -86.29 122.11 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 74.099999999999994 111.745 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.31 86.22 6.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.179 -0.674 . . . . 61.420000000000002 109.179 171.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.641 HG23 HD21 ' A' ' 51' ' ' LEU . 33.1 m -86.49 128.21 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 122.149 0.976 . . . . 74.340000000000003 113.065 -172.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.46 108.43 6.32 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.52 -1.218 . . . . 72.409999999999997 110.539 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 12.4 t-80 -77.45 110.17 11.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.324 -0.398 . . . . 75.439999999999998 111.994 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.3 p -96.77 164.64 12.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.984 0.421 . . . . 71.439999999999998 110.857 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.04 -29.78 31.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.027 0.441 . . . . 53.049999999999997 111.502 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -74.13 -66.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.729 0.64 . . . . 75.120000000000005 112.729 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.719 ' HB3' ' HZ1' ' A' ' 73' ' ' LYS . 3.7 mmmp? -117.69 26.87 9.4 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.522 0.564 . . . . 74.230000000000004 112.522 -174.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 76.97 -60.17 3.47 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 121.03 -0.605 . . . . 60.43 113.934 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.16 127.97 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 122.362 -0.493 . . . . 73.099999999999994 111.464 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -107.94 -22.28 12.49 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.041 0.448 . . . . 62.219999999999999 111.471 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.41 155.8 37.05 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.477 -0.329 . . . . 71.540000000000006 111.169 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.5 ' HB3' HG12 ' A' ' 67' ' ' VAL . 25.6 p-90 -156.08 134.44 11.53 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.503 0.557 . . . . 75.400000000000006 112.503 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.84 148.43 42.12 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.859 -0.609 . . . . 72.329999999999998 110.359 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.23 126.52 36.33 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.975 0.417 . . . . 72.5 111.815 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 64' ' ' PHE . 18.9 m -127.8 154.23 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 122.796 0.438 . . . . 74.209999999999994 110.571 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 3.1 mppt? -107.47 151.29 25.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.966 -0.459 . . . . 74.299999999999997 111.384 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.5 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.127 0.489 . . . . 75.219999999999999 111.915 -177.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.38 -32.4 73.2 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.152 0.501 . . . . 41.130000000000003 111.314 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.47 -10.58 58.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.798 -0.637 . . . . 74.450000000000003 112.083 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.15 132.68 73.15 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 122.315 -0.241 . . . . 74.319999999999993 111.046 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HG2' HG21 ' A' ' 90' ' ' VAL . 63.8 Cg_endo -71.72 159.56 50.52 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.575 2.183 . . . . 64.120000000000005 113.437 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.24 79.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.074 -0.512 . . . . 73.230000000000004 112.295 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.38 -41.46 69.22 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.124 0.416 . . . . 70.349999999999994 112.124 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG21 ' HG2' ' A' ' 87' ' ' PRO . 33.6 m -93.58 -38.31 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 111.905 0.335 . . . . 71.319999999999993 111.905 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.121 0.486 . . . . 73.549999999999997 111.876 -178.31 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HD2' ' HE2' ' A' ' 68' ' ' TYR . 73.4 mmtt . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.11 0.481 . . . . 71.409999999999997 111.902 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.6 m-20 -69.4 98.96 1.15 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.111 -0.495 . . . . 64.230000000000004 112.313 -176.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.58 107.24 18.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.511 0.672 . . . . 72.540000000000006 110.226 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 18.6 m-30 -92.38 124.12 36.2 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.07 -0.514 . . . . 74.510000000000005 111.17 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.42 ' CE1' ' HG2' ' A' ' 66' ' ' ARG . 76.8 m-85 -78.4 99.36 6.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.152 0.501 . . . . 74.230000000000004 110.612 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' PHE . 31.9 m -111.69 176.01 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.908 -0.587 . . . . 72.540000000000006 111.45 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -134.89 142.65 46.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.704 0.288 . . . . 74.329999999999998 110.893 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 65' ' ' LEU . 41.7 mm -74.61 99.98 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 112.399 0.518 . . . . 73.329999999999998 112.399 -176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -84.11 -65.03 1.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.899 0.38 . . . . 74.450000000000003 110.728 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.0 129.05 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.016 0.436 . . . . 72.120000000000005 111.43 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -131.1 167.78 18.54 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.096 0.474 . . . . 73.430000000000007 111.479 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.38 8.64 66.66 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 115.282 0.873 . . . . 75.049999999999997 115.282 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HZ1' ' HB3' ' A' ' 20' ' ' LYS . 7.8 mtpm? -69.4 91.11 0.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.906 0.853 . . . . 72.209999999999994 110.783 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.53 113.58 7.79 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.327 0.491 . . . . 72.439999999999998 112.327 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.16 85.46 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.8 0.809 . . . . 75.319999999999993 111.12 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.513 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 77.5 t60 . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 115.713 -0.676 . . . . 72.310000000000002 111.492 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 120.831 0.348 . . . . 75.239999999999995 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 47.4 mtmt -132.51 156.08 47.43 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.784 0.661 . . . . 74.230000000000004 112.784 -173.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.92 156.71 24.51 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.518 -0.764 . . . . 70.140000000000001 110.276 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -103.83 113.51 27.09 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.676 0.621 . . . . 71.239999999999995 112.676 -174.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.5 tt0 -76.96 138.35 39.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.65 -0.704 . . . . 74.25 112.075 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.46 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 95.4 m-85 -132.39 98.21 4.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.019 -0.537 . . . . 74.340000000000003 110.117 173.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -101.98 108.91 20.5 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.28 -0.418 . . . . 64.019999999999996 111.632 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.98 159.94 43.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.213 0.449 . . . . 74.439999999999998 112.213 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -103.89 139.96 38.34 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.794 0.331 . . . . 63.240000000000002 111.541 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -120.95 140.76 14.39 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.304 -0.474 . . . . 74.340000000000003 113.354 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -116.08 149.1 39.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.706 0.403 . . . . 74.099999999999994 110.581 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -167.52 164.49 14.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.719 0.636 . . . . 64.439999999999998 112.719 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.1 mttp 68.23 -79.32 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.799 1.037 . . . . 74.219999999999999 113.799 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.32 -21.82 1.56 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.529 0.566 . . . . 64.150000000000006 112.529 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.95 -0.62 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 C-N-CA 119.866 -1.159 . . . . 52.329999999999998 115.048 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.64 145.65 52.27 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.001 0.9 . . . . 71.030000000000001 111.373 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 13.3 pt-20 -135.75 136.35 40.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.194 0.521 . . . . 74.230000000000004 111.532 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -138.06 146.84 43.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.132 -0.485 . . . . 73.319999999999993 110.695 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.98 104.99 12.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.921 0.391 . . . . 71.409999999999997 111.109 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.12 83.0 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 74.329999999999998 110.616 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -98.91 105.34 17.47 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.509 -0.769 . . . . 72.209999999999994 110.984 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -121.49 169.52 10.56 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.217 0.532 . . . . 74.140000000000001 112.164 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -117.13 112.63 21.14 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.009 -0.541 . . . . 75.140000000000001 111.647 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.56 159.09 15.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.064 0.459 . . . . 61.439999999999998 111.026 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.3 -3.35 52.25 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.835 0.68 . . . . 74.150000000000006 112.835 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -169.22 165.48 10.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.859 0.361 . . . . 73.340000000000003 111.714 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.46 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 14.8 m120 -68.7 158.96 33.12 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.192 0.52 . . . . 73.420000000000002 112.331 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 pp -139.59 -172.38 3.36 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.898 -0.592 . . . . 64.349999999999994 111.024 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 106.53 3.82 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.35 0.595 . . . . 71.219999999999999 111.901 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -67.56 150.26 49.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.932 -0.576 . . . . 63.32 112.209 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 75.26 -20.59 0.34 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.784 0.834 . . . . 74.430000000000007 112.293 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.5 167.09 17.46 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.918 0.39 . . . . 71.519999999999996 111.617 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 49.3 m-85 -96.42 152.58 18.47 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.649 . . . . 74.319999999999993 112.351 -176.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 80' ' ' GLU . 52.0 mt -130.68 128.68 41.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.637 -0.71 . . . . 72.219999999999999 111.672 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.601 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 54.6 mtp180 -81.04 86.12 6.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.049 -0.723 . . . . 71.219999999999999 109.049 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -92.79 118.8 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.852 0.834 . . . . 73.5 112.25 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.541 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 47.9 t80 -71.16 119.23 15.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.408 -1.269 . . . . 74.340000000000003 110.804 176.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 41.4 t-80 -96.02 115.77 27.93 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.052 0.454 . . . . 74.319999999999993 111.743 -177.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.3 p -109.7 141.98 41.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 72.329999999999998 110.319 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.16 -15.25 62.98 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.054 0.454 . . . . 74.519999999999996 110.949 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -57.72 -69.83 0.16 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.675 -0.693 . . . . 71.549999999999997 111.593 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -136.7 35.53 2.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.229 -0.442 . . . . 62.399999999999999 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 78.15 -56.42 4.0 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.091 -0.575 . . . . 63.009999999999998 113.462 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.05 146.49 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 117.203 0.502 . . . . 64.010000000000005 112.282 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.449 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 34.6 t -127.24 -38.31 1.98 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.119 -0.491 . . . . 62.119999999999997 111.09 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.94 165.36 32.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.445 -0.343 . . . . 72.150000000000006 111.263 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 -153.95 134.86 13.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.451 0.537 . . . . 75.230000000000004 112.451 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 28.4 mt-10 -113.79 145.28 41.64 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.004 -0.543 . . . . 75.239999999999995 109.986 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.493 ' HA ' HD22 ' A' ' 65' ' ' LEU . 33.8 tt0 -97.02 134.34 40.51 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.793 -0.567 . . . . 62.539999999999999 112.272 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 m -147.37 170.67 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 116.048 -0.524 . . . . 75.400000000000006 111.309 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.44 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 63.3 mttp -111.76 164.62 12.86 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.398 -0.364 . . . . 60.100000000000001 110.641 173.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -21.13 66.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.232 -0.587 . . . . 73.319999999999993 109.688 172.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.69 -14.03 61.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.097 -0.501 . . . . 74.239999999999995 111.074 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' ' 82' ' ' LYS . 30.5 mt-10 -108.61 8.32 27.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.859 0.362 . . . . 74.109999999999999 111.494 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 mt -106.53 127.41 28.23 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.428 -0.351 . . . . 74.420000000000002 111.207 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 34.9 Cg_exo -61.01 130.32 32.21 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.797 2.331 . . . . 43.340000000000003 113.1 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.85 -34.28 67.62 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.06 0.392 . . . . 71.099999999999994 112.06 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -56.96 -44.27 82.42 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.042 0.449 . . . . 74.540000000000006 111.087 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.55 -37.76 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.193 0.521 . . . . 72.340000000000003 110.634 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? . . . . . 0 CA--C 1.543 0.678 0 CA-C-N 115.948 -0.569 . . . . 73.209999999999994 111.114 177.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.729 0.3 . . . . 60.0 110.574 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.726 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 13.3 m-20 -95.5 134.96 37.75 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.358 0.503 . . . . 72.409999999999997 112.358 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -140.67 132.84 28.05 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.382 -0.599 . . . . 74.0 109.382 165.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -120.23 133.96 55.37 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.966 0.413 . . . . 73.420000000000002 111.588 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -85.49 100.69 12.07 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.267 -0.424 . . . . 63.43 110.505 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.515 HG13 ' HA2' ' A' ' 41' ' ' GLY . 23.1 m -112.0 167.97 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.327 0.584 . . . . 71.530000000000001 112.166 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -112.45 158.06 20.32 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.822 -0.626 . . . . 74.129999999999995 110.571 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.3 mm -70.86 84.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.294 0.569 . . . . 64.120000000000005 110.668 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.9 p -71.9 -58.27 3.6 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.816 -0.629 . . . . 72.019999999999996 111.832 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.35 106.25 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-O 121.369 0.604 . . . . 73.340000000000003 111.595 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.52 149.07 25.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.102 -0.499 . . . . 72.349999999999994 111.194 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.04 9.53 66.85 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.057 -0.592 . . . . 72.319999999999993 114.28 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 12.2 tmtt? -77.42 84.92 3.83 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 117.337 0.569 . . . . 73.230000000000004 109.912 -177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.0 150.91 25.32 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.833 0.679 . . . . 74.230000000000004 112.833 -172.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 m -122.0 97.49 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 121.577 0.703 . . . . 65.310000000000002 111.483 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.634 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 85.9 t60 . . . . . 0 N--CA 1.467 0.425 0 CA-C-N 115.676 -0.693 . . . . 71.200000000000003 110.973 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.0 p90 . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.911 0.386 . . . . 74.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.634 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 30.3 mtmt -147.36 117.89 7.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.072 0.397 . . . . 63.310000000000002 112.072 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -103.37 178.33 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.139 -0.482 . . . . 74.340000000000003 110.438 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' ' 54' ' ' THR . 90.5 m-85 -115.4 150.13 36.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.68 0.276 . . . . 75.510000000000005 110.994 175.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 38.0 tt0 -119.77 106.86 12.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.052 0.453 . . . . 61.219999999999999 111.4 -172.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -90.8 89.41 7.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.545 0.688 . . . . 75.329999999999998 111.465 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.27 92.72 8.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.183 -0.917 . . . . 74.25 109.757 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.513 HD13 HG23 ' A' ' 13' ' ' VAL . 26.0 mt -114.61 166.69 11.45 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.938 0.718 . . . . 72.420000000000002 112.938 -168.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -116.44 110.89 19.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.904 -0.589 . . . . 73.310000000000002 110.275 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -92.44 137.64 13.8 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.096 -0.573 . . . . 74.129999999999995 112.865 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 67.1 m-85 -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 74.120000000000005 110.845 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.51 169.49 10.82 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.524 -0.762 . . . . 72.239999999999995 112.482 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.691 ' HD3' ' H ' ' A' ' 44' ' ' LYS . 2.4 mppt? -59.17 -25.18 63.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.01 -0.541 . . . . 65.450000000000003 111.591 -178.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.31 -10.99 36.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.964 0.357 . . . . 60.140000000000001 111.964 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.82 6.95 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.321 -0.466 . . . . 44.399999999999999 113.28 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 89.0 mttt -96.08 178.33 5.44 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 122.643 -0.327 . . . . 55.329999999999998 111.17 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -102.11 122.82 44.87 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.783 0.325 . . . . 63.229999999999997 110.896 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.581 ' HD3' ' N ' ' A' ' 50' ' ' GLU . 5.7 tmtm? -124.67 140.8 52.6 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.915 0.388 . . . . 63.509999999999998 110.098 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.581 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -84.4 121.66 27.86 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.831 0.348 . . . . 73.430000000000007 111.817 -176.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.53 142.88 50.58 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.843 0.354 . . . . 65.340000000000003 110.997 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -156.51 125.91 6.17 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.779 0.323 . . . . 74.109999999999999 111.223 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -147.4 146.58 29.65 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.228 0.537 . . . . 65.019999999999996 111.678 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 71.5 p -93.65 117.23 29.81 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.026 -0.534 . . . . 75.209999999999994 111.513 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 137.93 35.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.923 0.392 . . . . 70.109999999999999 111.541 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 56' ' ' GLN . 7.9 pm0 -69.81 -21.49 63.39 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.215 0.531 . . . . 75.340000000000003 111.185 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.27 143.15 51.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.818 -0.628 . . . . 63.439999999999998 110.727 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -77.78 109.22 11.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.88 0.372 . . . . 63.409999999999997 110.254 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.82 168.62 11.19 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.224 0.535 . . . . 74.329999999999998 112.006 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -75.22 132.06 40.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.538 0.685 . . . . 71.409999999999997 112.47 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -78.03 156.36 30.15 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.52 -0.764 . . . . 73.230000000000004 112.609 -177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 39.5 tt0 73.52 3.51 4.57 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.891 0.877 . . . . 73.219999999999999 111.851 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.94 24.19 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.909 -0.494 . . . . 71.310000000000002 111.544 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.549 ' HE1' ' HB3' ' A' ' 83' ' ' LYS . 79.1 m-85 -85.13 107.95 17.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.342 0.592 . . . . 74.109999999999999 110.752 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' A' ' 78' ' ' TRP . 1.3 tt -90.38 115.79 27.83 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.864 -0.607 . . . . 71.409999999999997 111.148 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -81.65 97.13 7.74 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.796 0.332 . . . . 75.209999999999994 110.359 173.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -90.24 129.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.563 0.697 . . . . 64.310000000000002 111.862 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 68.8 t80 -94.04 122.9 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.196 -0.911 . . . . 74.329999999999998 111.587 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.726 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 52.1 t-80 -114.91 143.12 45.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.386 0.612 . . . . 75.400000000000006 111.788 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.474 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 73.0 m -138.42 152.35 48.29 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.282 -0.417 . . . . 61.200000000000003 111.046 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.71 -70.95 0.1 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.035 0.754 . . . . 71.450000000000003 113.035 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -88.12 24.05 1.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.334 0.494 . . . . 73.299999999999997 112.334 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.5 OUTLIER -138.94 -16.65 1.1 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.937 0.347 . . . . 64.310000000000002 111.937 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 65.23 -82.54 0.07 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.98 -0.628 . . . . 75.519999999999996 112.398 -175.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.68 144.09 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.975 0.388 . . . . 65.049999999999997 110.691 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.414 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 43.9 t -133.58 -39.31 0.9 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.175 0.435 . . . . 63.520000000000003 112.175 -178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.6 170.14 18.76 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.719 0.295 . . . . 62.210000000000001 111.719 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.701 ' HB2' HD22 ' A' ' 65' ' ' LEU . 27.5 p-90 -159.85 142.65 13.75 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.288 0.566 . . . . 74.409999999999997 112.47 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -129.42 149.88 51.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.051 -0.522 . . . . 72.209999999999994 110.753 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -115.14 117.77 31.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 122.138 -0.351 . . . . 74.510000000000005 111.819 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.36 168.64 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 120.811 0.339 . . . . 72.340000000000003 111.013 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -110.3 161.87 15.19 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.022 -0.424 . . . . 72.409999999999997 111.445 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.549 ' HB3' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -56.07 -26.27 48.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.322 0.86 . . . . 74.329999999999998 113.322 -176.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.537 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 28.4 t70 -61.7 -29.62 70.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.056 0.455 . . . . 73.099999999999994 112.066 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.23 2.73 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.574 0.583 . . . . 64.219999999999999 112.574 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.6 mt -106.1 141.64 23.16 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 112.126 0.417 . . . . 71.430000000000007 112.126 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.3 163.84 37.44 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.678 2.252 . . . . 75.019999999999996 112.863 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.78 -57.96 3.57 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.025 0.75 . . . . 75.510000000000005 113.025 -173.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -51.18 -32.97 25.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.817 1.043 . . . . 62.310000000000002 113.817 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.39 -45.22 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 120.97 0.414 . . . . 74.209999999999994 111.643 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 121.015 0.436 . . . . 72.319999999999993 111.178 -179.762 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.552 ' N ' ' HD2' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 111.92 0.341 . . . . 74.040000000000006 111.92 . . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.79 121.32 36.96 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.397 0.888 . . . . 75.409999999999997 113.397 -169.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -97.31 114.67 26.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.037 -0.529 . . . . 60.210000000000001 110.024 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.24 121.31 34.47 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.044 0.449 . . . . 74.129999999999995 111.396 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -85.31 99.88 11.44 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.985 -0.552 . . . . 75.239999999999995 110.879 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 HD11 ' A' ' 39' ' ' LEU . 30.7 m -128.12 152.13 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.93 -0.577 . . . . 74.510000000000005 111.111 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.9 pt20 -95.55 139.96 31.08 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.875 0.369 . . . . 73.230000000000004 110.894 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.438 HD13 HD12 ' A' ' 65' ' ' LEU . 46.2 mm -76.15 114.96 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.971 0.415 . . . . 74.120000000000005 111.365 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -102.42 -66.61 0.92 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.291 -0.413 . . . . 75.239999999999995 111.583 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.81 130.7 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.523 0.678 . . . . 74.430000000000007 112.802 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.31 -174.86 3.51 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.621 -0.718 . . . . 75.329999999999998 111.174 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.2 70.14 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.251 0.86 . . . . 63.140000000000001 115.251 173.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 25.5 mmtp -69.6 94.75 0.8 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.523 0.661 . . . . 73.129999999999995 111.722 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.67 107.28 12.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.133 -0.354 . . . . 60.32 111.748 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 34' ' ' ASP . 31.3 m -92.85 58.89 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.618 0.723 . . . . 73.430000000000007 111.385 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 N--CA 1.47 0.562 0 CA-C-N 115.854 -0.612 . . . . 75.219999999999999 110.92 -178.772 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 p90 . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.733 0.302 . . . . 73.209999999999994 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -118.63 103.61 9.86 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.872 0.693 . . . . 72.200000000000003 112.872 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.424 ' O ' HG21 ' A' ' 22' ' ' VAL . 6.4 m-20 -109.85 128.07 55.09 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.041 -0.527 . . . . 64.420000000000002 109.949 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 54' ' ' THR . 54.9 m-85 -89.29 114.73 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.772 0.286 . . . . 75.420000000000002 111.772 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 20.9 tt0 -78.78 139.7 38.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.949 0.404 . . . . 73.530000000000001 111.282 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.87 110.03 16.71 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.009 0.433 . . . . 73.409999999999997 110.402 174.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -96.57 113.05 24.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.956 -0.565 . . . . 70.219999999999999 111.292 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.58 HD11 HG23 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -152.12 167.82 27.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.99 0.424 . . . . 73.25 111.817 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.8 m -116.3 120.92 40.44 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.965 0.358 . . . . 75.329999999999998 111.965 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.09 147.1 18.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.401 -0.428 . . . . 70.310000000000002 112.408 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.454 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 96.6 m-85 -113.03 106.9 15.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 75.299999999999997 112.057 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.651 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 21.5 t70 -81.28 137.53 35.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.02 -0.536 . . . . 71.0 110.387 177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 20.6 ttmm 60.96 14.98 5.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.944 0.402 . . . . 73.219999999999999 110.925 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.2 5.51 4.71 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 121.191 0.52 . . . . 73.5 111.818 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.25 -42.53 0.18 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.208 -0.52 . . . . 41.149999999999999 113.455 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.4 mmtt -71.2 135.21 47.43 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.546 -0.385 . . . . 74.150000000000006 111.393 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.28 142.56 29.02 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.788 0.327 . . . . 74.140000000000001 111.025 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.706 ' HE3' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -144.16 130.02 19.35 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.058 0.456 . . . . 75.239999999999995 111.066 176.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.706 ' H ' ' HE3' ' A' ' 49' ' ' LYS . 4.2 mp0 -71.31 115.81 10.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.948 -0.569 . . . . 72.010000000000005 111.099 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.2 mp -113.55 117.97 33.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.052 0.453 . . . . 73.319999999999993 111.344 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -130.55 115.01 16.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.091 0.472 . . . . 75.299999999999997 110.964 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -127.13 160.87 29.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.169 -0.469 . . . . 74.299999999999997 111.026 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 70.2 p -115.86 145.72 42.62 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.544 0.572 . . . . 61.539999999999999 112.544 -176.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.99 163.26 29.93 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.007 -0.542 . . . . 40.329999999999998 111.055 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 -8.09 49.55 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.938 0.348 . . . . 65.120000000000005 111.938 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.31 169.77 17.6 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.406 -0.361 . . . . 74.010000000000005 111.265 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -73.33 143.54 46.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.947 0.403 . . . . 71.319999999999993 110.458 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.7 mt -105.91 -80.17 0.56 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.891 0.377 . . . . 74.219999999999999 111.425 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -151.88 173.93 14.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.229 -0.441 . . . . 74.549999999999997 111.087 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 29.5 mtpp -139.91 138.21 35.46 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.332 -0.618 . . . . 74.129999999999995 109.332 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 39.2 tt0 74.46 -36.29 0.32 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.693 0.397 . . . . 74.230000000000004 112.053 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.21 156.77 38.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.881 0.372 . . . . 64.25 111.662 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 94.6 m-85 -89.88 166.8 13.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.45 0.643 . . . . 73.329999999999998 111.888 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 78' ' ' TRP . 3.9 tt -154.87 126.71 7.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.002 -0.544 . . . . 64.230000000000004 110.361 -176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -80.47 96.35 6.73 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.467 -0.333 . . . . 72.420000000000002 110.526 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.1 t -88.22 121.11 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.607 0.717 . . . . 73.540000000000006 111.819 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -79.2 106.44 11.24 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.97 -1.014 . . . . 63.310000000000002 111.283 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.94 114.42 21.21 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.037 -0.529 . . . . 73.319999999999993 111.812 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.03 173.64 4.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.184 -0.462 . . . . 65.219999999999999 110.485 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -50.83 -42.43 58.43 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.03 0.382 . . . . 65.040000000000006 112.03 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -110.83 -72.21 0.73 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.136 0.494 . . . . 64.439999999999998 112.147 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -156.73 -156.04 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.222 -0.445 . . . . 74.120000000000005 111.179 -172.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.38 3.17 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.43 0.532 . . . . 64.120000000000005 114.43 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.6 t 72.48 114.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.422 0.63 . . . . 73.109999999999999 111.816 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.4 t -86.32 -28.73 23.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.491 0.552 . . . . 38.530000000000001 112.491 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.3 166.96 30.18 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.335 0.494 . . . . 72.540000000000006 112.335 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.656 ' HB2' HD23 ' A' ' 65' ' ' LEU . 43.3 p-90 -162.29 140.93 9.06 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 111.615 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.75 144.06 50.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.57 0.348 . . . . 71.439999999999998 111.22 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -98.72 131.5 44.83 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.043 0.449 . . . . 73.519999999999996 111.762 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -146.72 134.03 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 121.112 0.482 . . . . 73.340000000000003 111.97 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -92.57 159.17 15.61 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.848 -0.533 . . . . 74.049999999999997 110.802 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -18.12 60.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 75.140000000000001 111.019 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.81 -38.39 79.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.884 -0.598 . . . . 65.209999999999994 110.765 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.4 -34.41 54.82 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.745 -0.661 . . . . 73.120000000000005 111.137 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -70.51 147.88 95.03 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.9 -0.591 . . . . 63.100000000000001 111.804 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.412 ' HG2' HG22 ' A' ' 90' ' ' VAL . 37.9 Cg_endo -65.97 147.6 84.85 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.492 2.128 . . . . 64.5 113.095 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.19 -28.82 43.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.331 -0.395 . . . . 73.430000000000007 111.911 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -50.34 -38.59 42.75 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.15 0.426 . . . . 61.240000000000002 112.15 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 87' ' ' PRO . 60.0 t -69.41 -55.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.069 0.461 . . . . 52.450000000000003 111.462 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 120.816 0.341 . . . . 71.319999999999993 111.617 -179.486 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 109.463 -0.569 . . . . 71.140000000000001 109.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -79.61 174.58 11.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.418 0.896 . . . . 71.430000000000007 113.418 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.4 161.4 22.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.159 -0.928 . . . . 74.319999999999993 111.191 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -140.88 120.95 13.72 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.516 -0.311 . . . . 73.439999999999998 111.13 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.26 100.37 5.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.406 0.622 . . . . 73.109999999999999 110.704 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 HD13 ' A' ' 39' ' ' LEU . 12.2 m -90.94 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.467 -0.788 . . . . 61.399999999999999 110.818 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -129.37 127.03 40.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.911 -0.586 . . . . 74.340000000000003 109.697 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.4 HD12 HD12 ' A' ' 65' ' ' LEU . 44.4 mm -63.97 89.93 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.216 0.532 . . . . 63.530000000000001 111.693 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.0 p -80.32 -63.97 1.29 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.595 -0.729 . . . . 74.319999999999993 111.308 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.62 122.71 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.343 0.592 . . . . 72.230000000000004 111.674 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -130.29 163.01 27.71 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.04 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.58 50.28 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.98 -0.629 . . . . 39.030000000000001 114.045 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.662 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 1.4 tmtp? -77.37 111.46 13.07 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.475 -0.426 . . . . 62.32 110.493 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.63 147.12 23.51 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.177 0.513 . . . . 73.219999999999999 111.895 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.36 106.99 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.78 0.8 . . . . 72.299999999999997 111.464 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 CA--C 1.552 1.058 0 CA-C-N 115.143 -0.935 . . . . 73.209999999999994 111.204 173.504 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.092 0.404 . . . . 72.420000000000002 112.092 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.672 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 10.2 mtmp? -138.67 147.25 42.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.923 0.489 . . . . 74.239999999999995 111.085 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.05 171.72 7.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.125 0.488 . . . . 70.400000000000006 111.229 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -110.5 148.62 31.73 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.232 -0.44 . . . . 75.420000000000002 110.017 172.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.662 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 40.0 tt0 -129.67 146.58 51.44 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.384 0.513 . . . . 71.439999999999998 112.384 -172.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -129.57 109.8 11.31 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.076 -0.511 . . . . 72.340000000000003 111.949 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -103.1 107.43 18.24 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.416 -0.587 . . . . 72.200000000000003 109.416 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -143.66 152.03 40.83 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.187 0.81 . . . . 73.019999999999996 113.187 -170.321 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 50' ' ' GLU . 83.2 m -100.85 133.01 45.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.716 -0.674 . . . . 72.329999999999998 111.414 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -113.61 145.37 18.38 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.246 -0.502 . . . . 61.039999999999999 113.201 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.99 124.59 47.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.33 0.252 . . . . 70.120000000000005 111.083 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -155.38 -178.34 7.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.838 0.351 . . . . 74.510000000000005 110.881 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? 70.68 -79.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.499 0.719 . . . . 73.530000000000001 111.316 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -159.24 69.5 0.45 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.45 0.643 . . . . 61.030000000000001 110.605 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.16 39.19 96.91 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.706 -0.679 . . . . 75.120000000000005 112.529 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -111.8 129.76 56.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.499 0.319 . . . . 75.549999999999997 110.533 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.82 157.16 17.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.633 0.73 . . . . 72.209999999999994 112.267 -175.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -157.28 131.42 8.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 71.030000000000001 110.485 172.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.443 ' HG2' ' OG1' ' A' ' 40' ' ' THR . 44.2 mt-10 -90.55 114.32 26.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.72 0.295 . . . . 75.230000000000004 111.357 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -102.66 153.15 20.4 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.086 0.469 . . . . 63.329999999999998 111.364 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.59 124.38 35.75 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.535 . . . . 64.420000000000002 111.029 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.28 159.55 44.28 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.968 0.413 . . . . 71.400000000000006 111.336 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.1 p -115.06 151.06 34.93 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.019 0.438 . . . . 70.5 111.405 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.36 156.32 46.85 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.994 0.426 . . . . 62.329999999999998 111.693 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.98 -33.93 76.95 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.163 -0.472 . . . . 74.450000000000003 111.696 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -138.35 172.95 12.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.001 -0.545 . . . . 71.409999999999997 111.265 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -79.06 106.7 11.28 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.585 -0.524 . . . . 75.120000000000005 109.585 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.94 -80.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.58 0.585 . . . . 74.430000000000007 112.58 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -177.09 115.67 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.866 0.365 . . . . 72.409999999999997 110.584 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -74.92 158.3 33.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.282 0.845 . . . . 70.030000000000001 113.282 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 70.82 0.51 3.37 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.732 1.012 . . . . 71.219999999999999 113.732 172.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.29 172.66 7.02 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.982 0.42 . . . . 63.130000000000003 111.698 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -93.06 159.62 15.22 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.091 0.472 . . . . 74.439999999999998 110.859 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 78' ' ' TRP . 6.6 tt -156.79 125.77 5.94 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.003 0.43 . . . . 73.439999999999998 111.072 -175.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -80.75 105.98 12.4 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.79 0.329 . . . . 74.430000000000007 111.064 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -92.5 129.25 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 71.430000000000007 110.84 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 17.8 t80 -89.27 111.53 22.37 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.84 -0.618 . . . . 75.329999999999998 111.302 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 50.9 t-80 -99.16 121.35 40.9 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.599 0.592 . . . . 71.319999999999993 112.599 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -110.26 165.79 11.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.097 -0.501 . . . . 73.109999999999999 111.318 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.3 -72.61 0.07 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.039 0.755 . . . . 74.430000000000007 113.039 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -95.81 -28.47 14.72 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.04 -0.412 . . . . 75.409999999999997 112.023 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.49 -23.59 62.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.1 0.476 . . . . 74.439999999999998 111.928 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.28 -70.85 2.34 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.846 -0.692 . . . . 62.109999999999999 112.458 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 82.1 t -129.81 118.15 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.185 0.517 . . . . 55.409999999999997 112.043 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 m -88.26 -40.02 13.97 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.086 -0.507 . . . . 71.030000000000001 111.61 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.38 -179.99 7.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.307 -0.406 . . . . 62.009999999999998 110.902 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.859 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.8 p-90 -155.38 145.12 21.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.943 0.401 . . . . 74.430000000000007 111.984 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -125.06 139.69 53.56 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.269 -0.423 . . . . 75.299999999999997 110.768 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -99.22 128.79 45.4 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.775 0.322 . . . . 71.310000000000002 110.647 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.1 141.7 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 121.395 0.617 . . . . 75.510000000000005 112.317 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.26 160.58 28.78 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.238 0.542 . . . . 72.519999999999996 111.58 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -58.56 -41.87 86.65 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.886 -0.597 . . . . 74.519999999999996 110.7 176.769 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.55 -18.05 65.15 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.366 0.506 . . . . 74.120000000000005 112.366 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.67 -7.81 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.663 0.268 . . . . 71.510000000000005 111.59 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -101.75 140.07 20.9 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.836 -0.166 . . . . 62.219999999999999 111.12 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.44 ' O ' HG22 ' A' ' 90' ' ' VAL . 42.9 Cg_endo -66.93 144.81 71.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.425 2.083 . . . . 72.340000000000003 112.548 178.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.64 -24.93 3.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.188 0.811 . . . . 74.510000000000005 113.188 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 7.9 mptt -57.14 -26.79 61.12 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.383 0.512 . . . . 75.129999999999995 112.383 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 87' ' ' PRO . 18.7 m -68.93 -27.39 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 120.97 0.414 . . . . 73.109999999999999 111.089 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 CA--C 1.54 0.574 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 111.357 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 120.97 0.414 . . . . 75.129999999999995 111.512 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.53 165.11 15.08 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.945 -0.57 . . . . 72.549999999999997 112.13 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.745 ' HG3' ' HD3' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -100.61 126.92 47.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.227 0.537 . . . . 73.120000000000005 110.572 172.363 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 1.7 m-85 -93.33 135.88 34.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.797 0.332 . . . . 74.340000000000003 111.686 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.452 ' HH ' ' NH2' ' A' ' 66' ' ' ARG . 92.2 m-85 -84.17 109.68 17.93 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.582 -0.281 . . . . 75.310000000000002 110.895 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' HA2' ' A' ' 41' ' ' GLY . 16.6 m -116.74 142.19 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.267 0.556 . . . . 73.209999999999994 111.679 178.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -106.38 127.84 53.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.601 -0.727 . . . . 70.409999999999997 110.542 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.621 HD12 HD13 ' A' ' 65' ' ' LEU . 49.2 mm -67.64 110.01 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.347 0.499 . . . . 72.340000000000003 112.347 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -111.42 -66.64 1.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.873 -0.603 . . . . 63.219999999999999 111.591 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -90.58 124.77 43.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.227 0.537 . . . . 72.420000000000002 112.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -131.97 179.35 6.14 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.077 0.465 . . . . 72.129999999999995 112.024 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.58 8.34 62.95 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 115.113 0.805 . . . . 61.140000000000001 115.113 170.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -83.02 94.51 7.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.866 0.833 . . . . 63.020000000000003 111.302 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.18 131.51 39.39 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.266 0.555 . . . . 75.010000000000005 112.056 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.459 ' O ' HG23 ' A' ' 22' ' ' VAL . 30.3 m -86.56 81.14 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.981 0.896 . . . . 64.200000000000003 110.802 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.9 t60 . . . . . 0 CA--C 1.541 0.622 0 CA-C-N 115.401 -0.818 . . . . 74.510000000000005 110.831 -179.62 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 120.735 0.302 . . . . 75.519999999999996 110.649 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -143.68 113.57 7.18 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.277 0.473 . . . . 73.540000000000006 112.277 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' HG21 ' A' ' 22' ' ' VAL . 77.3 m-20 -102.26 139.89 37.26 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 110.188 -0.301 . . . . 45.409999999999997 110.188 169.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -82.47 109.63 16.86 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.234 0.54 . . . . 71.420000000000002 110.809 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 13.2 tt0 -83.69 132.01 34.9 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.726 0.639 . . . . 74.010000000000005 112.726 -175.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -107.92 98.96 8.47 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.965 -0.561 . . . . 75.129999999999995 110.16 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HB2' ' HZ1' ' A' ' 38' ' ' LYS . 3.8 ttmp? -99.32 105.44 17.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.114 0.483 . . . . 74.310000000000002 111.025 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.33 171.3 14.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.079 0.466 . . . . 73.549999999999997 112.14 -175.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -96.21 125.63 40.86 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.847 0.356 . . . . 64.340000000000003 111.573 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -100.99 134.4 11.68 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 121.466 -0.397 . . . . 74.239999999999995 112.622 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.31 142.6 27.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.241 0.544 . . . . 73.219999999999999 111.273 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 19.8 t0 -127.96 132.16 49.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.788 -0.642 . . . . 64.209999999999994 112.585 -166.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 47.54 -94.48 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.936 1.087 . . . . 70.200000000000003 113.936 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -108.8 20.27 18.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.451 0.538 . . . . 62.020000000000003 112.451 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.82 11.11 7.93 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.027 -0.606 . . . . 71.430000000000007 113.852 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.794 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 29.9 mmmt -69.61 160.94 30.62 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.881 0.34 . . . . 72.450000000000003 110.166 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.62 123.25 26.05 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.345 0.593 . . . . 64.430000000000007 112.474 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.0 146.1 48.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.923 -0.58 . . . . 74.239999999999995 110.187 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.83 120.78 26.47 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.928 0.394 . . . . 63.43 111.185 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.85 121.17 43.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.282 -0.417 . . . . 64.209999999999994 110.87 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -126.85 117.94 23.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.94 0.4 . . . . 74.140000000000001 110.786 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' ' 75' ' ' VAL . 42.6 p90 -127.37 135.41 50.45 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.992 0.425 . . . . 72.109999999999999 111.551 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 58.0 p -94.8 109.74 21.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 75.420000000000002 111.25 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.99 141.75 30.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.263 -0.426 . . . . 60.32 111.362 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -69.87 -3.95 18.14 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.248 0.462 . . . . 61.32 112.248 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -160.24 174.7 13.83 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.744 0.307 . . . . 72.530000000000001 111.034 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.0 131.46 34.46 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.76 0.314 . . . . 73.439999999999998 110.81 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.85 -176.24 3.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.954 0.407 . . . . 72.530000000000001 112.091 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 60' ' ' ARG . 3.6 mpt_? -64.45 112.71 3.25 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.269 0.556 . . . . 74.400000000000006 111.943 -177.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -85.78 155.63 20.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.525 . . . . 71.0 111.474 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.99 11.02 8.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.959 0.504 . . . . 75.420000000000002 111.573 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.12 178.31 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.777 0.323 . . . . 51.210000000000001 111.173 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -116.12 142.73 46.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.36 0.6 . . . . 74.329999999999998 111.658 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 15' ' ' ILE . 52.7 mt -125.15 130.52 52.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 71.519999999999996 111.328 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.745 ' HD3' ' HG3' ' A' ' 10' ' ' GLU . 50.9 mtt180 -82.89 93.67 7.55 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.659 -0.497 . . . . 72.430000000000007 109.659 168.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -91.31 125.74 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.488 0.661 . . . . 65.409999999999997 112.012 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.03 119.19 13.86 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.945 -1.025 . . . . 65.099999999999994 111.31 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 45.4 t-80 -112.12 118.26 34.88 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.118 0.485 . . . . 61.119999999999997 112.087 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 m -97.65 -167.48 1.53 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.077 -0.51 . . . . 64.5 111.116 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -59.33 3.42 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.913 0.709 . . . . 51.409999999999997 112.913 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 49.0 pttt -82.87 -62.2 1.66 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 120.887 0.375 . . . . 71.239999999999995 111.26 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.552 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 31.6 mtmm -154.67 -50.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.176 0.59 . . . . 71.109999999999999 110.224 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.88 -78.67 1.36 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.173 -0.537 . . . . 72.549999999999997 113.135 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 53' ' ' PHE . 14.2 t 53.2 35.53 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.65 0.738 . . . . 65.340000000000003 111.273 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 m -58.85 -23.76 61.19 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.012 -0.54 . . . . 74.439999999999998 112.032 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.02 130.35 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.916 0.339 . . . . 74.040000000000006 111.916 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -120.11 128.93 53.91 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.376 -0.374 . . . . 73.540000000000006 110.062 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -117.66 141.0 48.89 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.217 0.532 . . . . 71.340000000000003 111.902 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.6 tt0 -81.34 97.04 7.51 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.652 -0.704 . . . . 71.400000000000006 112.273 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.03 142.96 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.316 0.579 . . . . 74.409999999999997 111.256 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -114.83 172.19 7.19 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.266 0.555 . . . . 73.099999999999994 111.457 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -10.02 0.35 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.118 1.155 . . . . 71.409999999999997 114.118 -176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.56 -40.73 75.69 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.495 0.554 . . . . 62.32 112.495 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.31 -0.24 44.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.786 0.661 . . . . 73.200000000000003 112.786 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -86.2 124.25 70.46 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 111.854 0.316 . . . . 74.040000000000006 111.854 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.614 ' O ' HG11 ' A' ' 90' ' ' VAL . 36.2 Cg_endo -65.43 126.41 16.18 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.346 2.031 . . . . 71.030000000000001 112.448 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.81 -41.63 3.3 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.312 0.856 . . . . 52.439999999999998 113.312 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.89 -35.26 77.83 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.725 0.639 . . . . 73.140000000000001 112.725 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.614 HG11 ' O ' ' A' ' 87' ' ' PRO . 4.2 p -65.49 -21.03 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.912 -0.492 . . . . 64.109999999999999 111.139 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.9 tttp . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 111.405 179.321 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.267 0.556 . . . . 72.140000000000001 111.368 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -75.1 145.48 42.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.452 0.644 . . . . 73.409999999999997 112.121 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.21 129.22 49.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.625 -0.716 . . . . 64.420000000000002 110.221 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.08 143.58 35.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.102 0.477 . . . . 74.349999999999994 112.012 -172.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -99.72 100.29 11.24 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.075 0.464 . . . . 74.120000000000005 110.863 174.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG13 ' HA2' ' A' ' 41' ' ' GLY . 33.1 m -98.36 -179.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.203 -0.453 . . . . 45.25 110.758 177.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -133.47 145.46 50.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.941 0.401 . . . . 75.519999999999996 111.228 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 65' ' ' LEU . 43.5 mm -88.48 95.77 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.103 0.478 . . . . 74.109999999999999 111.75 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -97.19 -61.53 1.39 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.128 -0.487 . . . . 61.409999999999997 111.111 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -90.44 127.02 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.284 0.564 . . . . 62.310000000000002 112.169 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -131.63 -173.73 3.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.871 -0.604 . . . . 55.130000000000003 111.347 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 35' ' ' TYR . . . 72.37 8.8 71.72 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 115.091 0.796 . . . . 55.240000000000002 115.091 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 74.3 mmtt -73.45 71.25 1.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.823 0.811 . . . . 63.109999999999999 111.213 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 50.8 mt-10 -70.37 124.73 24.9 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.949 0.404 . . . . 73.430000000000007 111.773 -177.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.04 58.56 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.851 0.834 . . . . 70.239999999999995 111.251 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 . . . . . 0 CA--C 1.542 0.65 0 CA-C-N 115.667 -0.697 . . . . 75.019999999999996 111.235 -175.383 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.193 0.442 . . . . 61.350000000000001 112.193 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -165.33 59.37 0.12 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.69 0.757 . . . . 74.400000000000006 110.272 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 3.8 m-20 -112.27 148.38 34.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 70.140000000000001 110.984 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.411 ' HD2' ' HA2' ' A' ' 19' ' ' GLY . 37.9 m-85 -84.93 108.96 17.81 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.154 0.502 . . . . 73.109999999999999 112.009 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 43.9 tt0 -87.89 150.65 23.37 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.962 -0.563 . . . . 52.520000000000003 111.665 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 80.6 m-85 -129.42 113.59 15.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.446 -0.343 . . . . 74.450000000000003 111.797 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.24 97.6 10.0 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 110.014 -0.365 . . . . 71.299999999999997 110.014 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.5 mt -111.86 147.76 35.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.128 0.489 . . . . 45.509999999999998 112.267 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -102.47 122.23 43.92 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.756 0.312 . . . . 75.109999999999999 110.92 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.43 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -104.24 146.73 16.33 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 121.354 -0.451 . . . . 75.219999999999999 112.897 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -111.94 124.48 52.47 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.18 0.514 . . . . 74.200000000000003 111.347 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -69.72 154.87 41.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.871 -0.604 . . . . 70.219999999999999 111.979 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -62.91 -13.94 40.55 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.937 0.718 . . . . 74.150000000000006 112.937 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -102.01 -11.16 19.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.051 0.453 . . . . 75.349999999999994 111.132 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.81 45.94 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 121.371 -0.442 . . . . 62.340000000000003 113.817 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -119.75 168.04 11.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.954 0.377 . . . . 75.310000000000002 110.924 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -100.55 145.06 28.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.941 0.401 . . . . 74.010000000000005 111.798 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -139.54 141.54 37.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.339 -0.391 . . . . 53.420000000000002 110.465 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 44.9 tt0 -90.32 116.21 28.1 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.046 0.387 . . . . 74.209999999999994 112.046 -178.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.577 ' HG ' HG23 ' A' ' 67' ' ' VAL . 2.8 mm? -110.19 141.94 42.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.582 0.353 . . . . 71.319999999999993 111.046 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -159.44 140.05 12.3 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.084 -0.385 . . . . 53.420000000000002 111.223 175.4 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -161.34 155.28 22.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.858 0.361 . . . . 74.430000000000007 111.41 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.4 p -104.64 121.38 43.43 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.482 -0.326 . . . . 74.540000000000006 111.588 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.91 149.11 32.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.737 0.415 . . . . 71.109999999999999 110.744 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -74.46 -14.58 60.85 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.969 0.414 . . . . 64.010000000000005 112.046 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -148.36 152.34 36.87 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.661 -0.245 . . . . 73.040000000000006 110.814 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 78.1 m-20 -60.16 144.55 49.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.911 0.386 . . . . 71.230000000000004 110.801 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.69 -73.12 0.46 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.289 -0.414 . . . . 75.010000000000005 112.055 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.702 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 12.4 ttm-85 -168.73 169.17 10.21 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.626 0.25 . . . . 63.340000000000003 110.594 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.706 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -96.99 136.2 37.91 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 122.096 -0.377 . . . . 64.409999999999997 111.802 173.677 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.16 -21.15 0.23 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.394 0.887 . . . . 74.409999999999997 113.394 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.702 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . . . -68.76 163.33 24.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.175 0.512 . . . . 62.25 112.181 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -99.74 164.71 11.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.357 0.598 . . . . 74.319999999999993 111.755 -175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' A' ' 78' ' ' TRP . 2.0 tt -141.1 118.91 11.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.174 0.511 . . . . 74.129999999999995 110.763 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -82.74 95.69 7.94 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.841 -0.618 . . . . 60.32 110.937 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.577 HG23 ' HG ' ' A' ' 51' ' ' LEU . 31.2 m -95.65 142.79 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 121.766 0.793 . . . . 64.439999999999998 112.28 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.79 115.1 29.79 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.965 -1.016 . . . . 74.439999999999998 111.737 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -83.85 106.63 15.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.853 0.358 . . . . 53.210000000000001 111.275 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -87.7 -167.06 1.76 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.989 0.423 . . . . 42.450000000000003 111.655 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.86 -11.02 59.98 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.026 0.441 . . . . 73.329999999999998 111.802 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -100.64 23.26 10.66 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.393 -0.367 . . . . 64.409999999999997 111.747 -171.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.53 173.79 0.1 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.596 0.713 . . . . 73.209999999999994 112.879 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 50' ' ' GLU . . . 55.45 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 CA-C-N 115.306 -0.861 . . . . 37.119999999999997 113.659 -176.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.488 HG21 ' N ' ' A' ' 76' ' ' SER . 13.5 p 179.88 165.96 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.892 0.346 . . . . 73.129999999999995 110.709 -174.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' SER . . . . . 0.488 ' N ' HG21 ' A' ' 75' ' ' VAL . 50.5 m -138.12 -57.45 0.66 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.889 0.376 . . . . 71.200000000000003 110.87 174.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.21 150.32 23.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.297 -0.411 . . . . 64.030000000000001 111.109 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.706 ' HB2' HD22 ' A' ' 65' ' ' LEU . 70.3 p-90 -152.37 145.97 24.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.203 0.525 . . . . 74.099999999999994 112.28 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -131.28 130.36 42.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.765 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.85 116.69 22.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.854 0.359 . . . . 71.099999999999994 110.087 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.82 147.27 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.489 0.661 . . . . 73.239999999999995 112.552 -171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -78.31 140.23 38.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.666 . . . . 74.5 112.045 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -63.5 -17.49 62.81 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.915 -0.584 . . . . 71.040000000000006 111.34 177.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' A' ' 83' ' ' LYS . 4.6 m-20 -64.4 -28.01 69.39 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.774 0.657 . . . . 71.319999999999993 112.774 -177.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -87.18 -6.17 58.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.514 0.561 . . . . 74.239999999999995 112.514 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.0 mt -90.39 123.11 66.38 Favored Pre-proline 0 CA--C 1.541 0.602 0 O-C-N 122.169 -0.332 . . . . 74.0 111.68 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.0 166.08 30.31 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.548 2.165 . . . . 75.129999999999995 112.65 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.13 44.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.285 0.476 . . . . 64.420000000000002 112.285 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.74 -44.98 78.08 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.118 -0.492 . . . . 71.239999999999995 111.83 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.8 t -87.86 -44.27 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.389 -0.369 . . . . 70.349999999999994 111.796 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 78.4 tttt . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 112.416 0.524 . . . . 72.310000000000002 112.416 -177.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.989 0.423 . . . . 62.420000000000002 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.48 140.18 34.75 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.939 0.4 . . . . 72.310000000000002 111.758 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.87 137.88 49.57 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.869 0.366 . . . . 72.430000000000007 110.708 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -113.03 137.85 50.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.872 0.368 . . . . 75.319999999999993 111.827 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CD1' HD22 ' A' ' 86' ' ' LEU . 48.4 m-85 -88.93 105.48 17.79 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.975 0.417 . . . . 73.340000000000003 111.483 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -127.94 168.34 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.404 -0.362 . . . . 63.409999999999997 110.615 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -133.62 170.38 15.61 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.698 0.285 . . . . 61.420000000000002 110.831 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 61' ' ' LYS . 44.7 mm -72.12 92.96 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 121.3 0.571 . . . . 54.25 111.681 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.9 p -74.15 -64.56 0.99 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.969 -0.56 . . . . 73.340000000000003 110.57 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.7 m -98.8 129.4 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.993 -0.549 . . . . 72.420000000000002 111.113 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.84 171.03 9.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.054 0.454 . . . . 71.329999999999998 111.4 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.33 10.06 73.93 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 114.605 0.602 . . . . 73.129999999999995 114.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -69.14 76.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.373 0.606 . . . . 55.539999999999999 109.957 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.35 105.68 16.18 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.901 -0.59 . . . . 72.420000000000002 110.539 -177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.35 84.25 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.987 0.899 . . . . 74.319999999999993 111.888 -175.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.9 m80 . . . . . 0 CA--C 1.539 0.523 0 CA-C-N 115.193 -0.912 . . . . 72.129999999999995 111.242 176.688 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 120.652 0.263 . . . . 73.099999999999994 111.323 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -148.27 61.9 1.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.254 -0.43 . . . . 72.019999999999996 111.04 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -95.76 160.01 14.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.927 0.394 . . . . 73.299999999999997 111.399 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -97.35 123.3 41.13 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.453 -0.34 . . . . 73.5 110.602 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -111.12 138.07 48.01 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.742 0.306 . . . . 75.109999999999999 110.949 -171.741 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 61.0 m-85 -123.89 95.39 4.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.151 0.5 . . . . 72.430000000000007 111.803 -175.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 8.3 tppt? -79.53 93.19 5.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.249 -0.432 . . . . 64.129999999999995 110.071 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -114.2 137.58 51.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 75.510000000000005 111.92 -172.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -96.88 114.26 25.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.785 0.326 . . . . 64.430000000000007 110.968 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.82 129.85 10.06 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.438 -0.41 . . . . 75.030000000000001 112.697 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 98.5 m-85 -90.69 136.54 33.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.06 0.457 . . . . 74.420000000000002 111.753 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -87.43 177.62 7.05 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.349 -0.387 . . . . 62.439999999999998 111.063 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -65.19 -31.95 73.38 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.757 1.021 . . . . 63.399999999999999 113.757 -169.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.41 -4.39 59.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.897 -0.502 . . . . 74.120000000000005 111.419 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.76 8.72 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.239 -0.505 . . . . 62.210000000000001 112.647 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 72.1 mmtt -77.64 160.65 28.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.404 0.282 . . . . 62.539999999999999 110.847 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -111.52 107.91 17.26 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.393 0.616 . . . . 74.409999999999997 111.601 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.738 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 4.8 ttmp? -110.61 137.46 48.26 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.125 -0.489 . . . . 73.349999999999994 110.882 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.87 125.23 35.68 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.086 0.402 . . . . 65.430000000000007 112.086 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.98 167.5 15.22 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.176 0.512 . . . . 74.129999999999995 111.561 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HB3' ' HD3' ' A' ' 38' ' ' LYS . 11.0 pt-20 -168.11 159.37 10.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.16 -0.473 . . . . 63.0 110.798 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -172.77 148.35 1.85 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.133 0.492 . . . . 75.109999999999999 112.207 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 36' ' ' GLU . 63.0 p -101.56 123.05 44.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.195 0.522 . . . . 73.519999999999996 112.069 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.69 136.5 38.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.352 -0.386 . . . . 71.120000000000005 110.735 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.76 -31.14 61.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.875 0.369 . . . . 43.240000000000002 111.125 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -123.67 162.96 22.02 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.136 -0.483 . . . . 73.219999999999999 111.324 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.34 85.28 5.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.314 0.578 . . . . 72.109999999999999 109.909 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.09 -176.57 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.956 0.724 . . . . 61.310000000000002 112.956 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -57.44 108.04 0.5 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.947 -0.57 . . . . 75.129999999999995 111.695 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.531 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 57.8 mttp -67.51 -35.73 79.67 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.048 -0.524 . . . . 63.240000000000002 112.39 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.58 6.91 32.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.08 0.4 . . . . 72.150000000000006 112.08 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.01 23.06 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 71.140000000000001 111.861 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -100.6 113.44 26.27 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.29 0.566 . . . . 72.409999999999997 110.951 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 80' ' ' GLU . 96.0 mt -89.94 119.38 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.583 . . . . 73.530000000000001 111.649 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -80.78 90.07 5.82 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.942 -0.572 . . . . 75.209999999999994 109.787 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.5 m -81.49 141.84 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 64.540000000000006 112.725 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -90.77 122.76 33.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.608 -1.178 . . . . 63.409999999999997 112.173 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -74.78 89.68 2.31 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.124 0.488 . . . . 70.299999999999997 110.361 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.8 m -80.0 156.51 27.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.842 -0.617 . . . . 54.210000000000001 112.441 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.48 -43.19 75.34 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.643 -0.708 . . . . 74.140000000000001 111.645 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -81.77 7.4 12.71 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.55 0.574 . . . . 75.049999999999997 112.55 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.657 ' HB3' ' HZ1' ' A' ' 73' ' ' LYS . 0.0 OUTLIER 64.4 164.45 0.14 Allowed 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.078 0.466 . . . . 74.0 111.297 -179.481 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . 0.605 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . 73.79 20.55 79.77 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.17 -1.014 . . . . 61.140000000000001 114.163 174.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.5 t 69.28 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 N-CA-C 113.745 1.017 . . . . 74.319999999999993 113.745 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -111.75 -23.33 10.68 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.777 -0.647 . . . . 65.150000000000006 110.637 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.79 159.81 37.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.018 -0.537 . . . . 71.040000000000006 111.138 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.417 ' CE3' HD21 ' A' ' 65' ' ' LEU . 44.7 p-90 -146.89 148.06 31.43 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.066 0.46 . . . . 73.510000000000005 111.477 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -109.43 138.99 44.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 110.795 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.8 tt0 -99.08 106.86 19.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.919 0.39 . . . . 62.439999999999998 111.701 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -129.55 176.68 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.833 0.349 . . . . 52.439999999999998 110.835 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 171.84 7.93 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.302 0.572 . . . . 74.209999999999994 111.786 175.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -58.13 -11.96 3.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.552 0.575 . . . . 75.420000000000002 112.552 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.46 -15.88 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.088 0.773 . . . . 64.239999999999995 113.088 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.64 -1.03 30.97 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.738 -0.602 . . . . 62.229999999999997 111.465 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 12' ' ' TYR . 91.4 mt -93.02 130.65 35.44 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.416 0.524 . . . . 75.109999999999999 112.416 -175.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . 0.533 ' O ' HG13 ' A' ' 90' ' ' VAL . 60.8 Cg_endo -72.99 122.23 7.95 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.528 2.152 . . . . 65.310000000000002 112.004 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.05 -22.77 1.74 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.751 0.649 . . . . 65.239999999999995 112.751 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -46.51 -45.16 18.29 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 75.439999999999998 112.117 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 87' ' ' PRO . 14.5 p -62.9 -36.77 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 120.86 0.362 . . . . 63.340000000000003 111.596 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.246 0.546 . . . . 72.140000000000001 110.868 179.406 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.525 ' HB3' ' HE1' ' A' ' 68' ' ' TYR . 29.5 mtmt . . . . . 0 CA--C 1.534 0.327 0 CA-C-O 121.237 0.541 . . . . 75.150000000000006 110.381 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 3.4 m-20 -87.69 171.89 10.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.756 -0.656 . . . . 71.530000000000001 111.669 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.5 99.98 2.23 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.725 0.774 . . . . 75.129999999999995 110.316 173.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.99 136.8 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 73.310000000000002 111.913 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -89.77 98.7 11.92 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.138 -0.69 . . . . 74.430000000000007 109.138 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.055 0.455 . . . . 70.010000000000005 112.224 -173.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -81.21 150.31 28.68 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.936 0.398 . . . . 73.420000000000002 111.583 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.64 118.62 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.182 0.438 . . . . 75.140000000000001 112.182 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -77.6 -63.43 1.38 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.877 -0.602 . . . . 74.040000000000006 110.642 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.82 148.92 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.062 -0.517 . . . . 71.329999999999998 111.454 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.97 178.95 6.28 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.344 -0.389 . . . . 71.209999999999994 110.962 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.39 55.32 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.977 -0.63 . . . . 40.119999999999997 114.351 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -87.11 130.92 34.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.629 0.714 . . . . 64.030000000000001 110.085 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.59 166.2 10.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.407 0.622 . . . . 72.209999999999994 112.454 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.527 HG11 ' HB2' ' A' ' 36' ' ' GLU . 15.5 m -118.53 65.57 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.798 -0.637 . . . . 71.129999999999995 112.164 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 121.091 0.472 . . . . 75.549999999999997 110.782 175.821 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.4 p90 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.943 0.349 . . . . 71.0 111.943 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -131.92 107.16 8.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.906 0.384 . . . . 75.430000000000007 111.895 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m-20 -115.85 138.09 51.49 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.404 -0.591 . . . . 71.230000000000004 109.404 172.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 54' ' ' THR . 73.0 m-85 -88.29 146.67 25.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.755 0.65 . . . . 65.010000000000005 112.755 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.527 ' HB2' HG11 ' A' ' 22' ' ' VAL . 33.7 tt0 -112.03 117.89 33.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 74.120000000000005 111.644 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -109.06 101.12 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.063 0.458 . . . . 65.510000000000005 110.978 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.93 125.68 51.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.951 -0.568 . . . . 65.230000000000004 111.046 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.09 161.5 36.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.132 0.491 . . . . 54.43 112.042 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 84.1 m -98.26 119.48 37.0 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.972 0.415 . . . . 72.510000000000005 111.69 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 117.16 4.51 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.162 -0.542 . . . . 74.409999999999997 112.064 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -99.88 141.12 33.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 75.129999999999995 112.031 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.455 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.8 t70 -91.86 164.78 13.55 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.901 -0.591 . . . . 60.100000000000001 111.334 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -53.45 -30.51 41.09 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.054 0.761 . . . . 73.340000000000003 113.054 -178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.28 8.56 42.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.717 0.636 . . . . 74.109999999999999 112.717 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.07 17.33 56.24 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.291 -0.481 . . . . 75.25 113.428 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.2 mmtt -81.1 134.11 35.59 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.711 -0.288 . . . . 74.519999999999996 110.823 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.41 141.98 29.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.326 0.584 . . . . 72.129999999999995 112.295 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -148.91 95.69 2.44 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.886 -0.597 . . . . 55.020000000000003 110.639 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.676 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.4 tt0 -77.78 135.27 37.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.146 0.498 . . . . 73.230000000000004 112.101 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.3 pt? -145.64 165.34 29.01 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.928 -0.578 . . . . 64.420000000000002 110.703 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 142.77 30.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 71.25 111.567 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.67 149.79 35.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.105 -0.498 . . . . 74.299999999999997 111.423 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 17.6 p -96.14 146.43 24.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.266 0.555 . . . . 74.109999999999999 112.264 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.74 160.47 35.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.959 -0.564 . . . . 43.399999999999999 111.009 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -87.97 -7.47 57.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.241 -0.436 . . . . 71.409999999999997 111.67 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -145.92 149.21 33.79 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.623 -0.262 . . . . 63.340000000000003 111.621 -167.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -84.74 94.75 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.975 0.417 . . . . 64.450000000000003 110.252 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.34 -170.98 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.336 -0.393 . . . . 64.340000000000003 111.918 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.432 ' HD2' ' N ' ' A' ' 60' ' ' ARG . 6.5 mpt_? -64.29 110.27 2.18 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.164 0.431 . . . . 73.420000000000002 112.164 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . 0.66 ' HB3' ' HZ1' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -61.87 149.63 39.76 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.402 -0.363 . . . . 74.099999999999994 111.422 177.116 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 70.67 -19.13 0.23 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.935 0.717 . . . . 71.439999999999998 112.935 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.61 168.45 14.76 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.015 -0.428 . . . . 71.319999999999993 111.219 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.417 ' HB2' HG21 ' A' ' 81' ' ' VAL . 89.8 m-85 -102.24 145.13 29.88 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.502 0.668 . . . . 74.409999999999997 112.276 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 80' ' ' GLU . 75.7 mt -116.27 122.54 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 74.0 110.664 174.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.9 84.44 6.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.514 -0.55 . . . . 70.030000000000001 109.514 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -92.65 124.56 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.653 -0.703 . . . . 72.519999999999996 112.31 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.525 ' HE1' ' HB3' ' A' ' 8' ' ' LYS . 29.5 t80 -80.25 139.04 36.87 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.911 -1.041 . . . . 70.25 111.316 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 13.1 t-80 -99.21 128.49 45.35 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.009 0.744 . . . . 73.120000000000005 113.009 -173.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.7 m -136.36 135.59 38.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.893 -0.594 . . . . 73.430000000000007 110.354 170.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.46 -30.94 26.84 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.991 -0.443 . . . . 71.010000000000005 111.227 173.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.607 ' HB2' ' HZ3' ' A' ' 72' ' ' LYS . 8.6 mtmp? -75.39 -45.41 39.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.327 -0.397 . . . . 74.230000000000004 111.768 -178.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tmtp? -114.66 6.66 15.76 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 112.08 0.4 . . . . 74.540000000000006 112.08 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.2 -83.49 0.42 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.328 -0.463 . . . . 38.109999999999999 113.602 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.48 109.32 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.029 0.442 . . . . 63.0 110.816 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -90.76 -18.47 24.91 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.073 0.397 . . . . 71.129999999999995 112.073 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.63 148.3 1.5 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.456 0.539 . . . . 64.299999999999997 112.456 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.414 ' CE3' HD21 ' A' ' 65' ' ' LEU . 57.5 p-90 -143.17 142.59 31.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.074 0.464 . . . . 61.329999999999998 110.889 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -115.03 141.49 47.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.371 -0.377 . . . . 65.109999999999999 110.979 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' A' ' 65' ' ' LEU . 25.4 tt0 -84.48 119.6 25.34 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.72 0.295 . . . . 64.530000000000001 110.73 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 64' ' ' PHE . 27.5 m -130.54 130.49 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-O 121.443 0.639 . . . . 65.510000000000005 111.535 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -83.23 161.7 21.43 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.85 -0.531 . . . . 74.239999999999995 111.653 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -47.22 72.53 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.28 -0.418 . . . . 74.230000000000004 111.852 -174.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -73.9 -12.5 60.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.437 0.532 . . . . 73.310000000000002 112.437 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.03 -29.32 58.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 74.140000000000001 110.653 173.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.75 144.48 28.67 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.044 -0.526 . . . . 72.310000000000002 111.124 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.31 140.82 72.29 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.6 2.2 . . . . 72.109999999999999 112.925 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.04 -25.34 58.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.28 0.562 . . . . 73.0 111.664 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.35 -15.11 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.002 -0.544 . . . . 70.230000000000004 112.298 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.59 -46.18 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.877 0.37 . . . . 72.239999999999995 111.518 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 113.146 0.795 . . . . 74.510000000000005 113.146 -172.769 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.217 0.532 . . . . 60.140000000000001 110.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.65 178.86 1.91 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.752 0.649 . . . . 72.340000000000003 112.752 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.1 pm0 -86.56 146.99 26.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.772 0.796 . . . . 73.010000000000005 112.887 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.14 151.55 37.36 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.308 -0.86 . . . . 74.219999999999999 110.354 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -90.88 106.51 18.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.822 0.344 . . . . 74.439999999999998 110.685 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.98 147.47 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.146 0.498 . . . . 40.240000000000002 112.033 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.99 154.89 26.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.876 -0.602 . . . . 52.030000000000001 110.633 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.9 mm -69.35 86.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.284 0.564 . . . . 62.340000000000003 111.762 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 39' ' ' LEU . 63.7 p -77.88 -45.01 25.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.003 -0.544 . . . . 74.129999999999995 111.061 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.06 131.24 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.792 -0.64 . . . . 71.450000000000003 110.816 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -122.52 154.35 37.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.32 0.581 . . . . 73.25 112.53 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.47 4.55 31.74 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 115.61 1.004 . . . . 72.219999999999999 115.61 169.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.94 89.8 2.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.594 1.197 . . . . 72.129999999999995 110.113 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 7.8 pt-20 -72.45 150.8 43.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.987 -1.006 . . . . 52.009999999999998 113.479 -172.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.03 93.17 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.956 -1.02 . . . . 75.129999999999995 110.917 173.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . 0.516 ' HB3' ' HG3' ' A' ' 33' ' ' LYS . 6.1 p-80 . . . . . 0 CA--C 1.54 0.594 0 O-C-N 121.972 -0.455 . . . . 75.310000000000002 111.127 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.712 -0.477 . . . . 75.129999999999995 109.712 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 23' ' ' HIS . 51.4 tttm -167.68 92.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.839 0.352 . . . . 71.540000000000006 110.205 -170.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.74 143.42 33.13 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.075 0.398 . . . . 72.519999999999996 112.075 -172.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 82.9 m-85 -84.6 137.34 33.34 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.865 -0.42 . . . . 64.439999999999998 109.865 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -120.78 144.69 48.17 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 75.400000000000006 111.437 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 58.8 m-85 -132.31 111.39 11.32 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.081 -0.509 . . . . 74.140000000000001 111.276 -174.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -103.12 88.78 3.23 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.054 0.454 . . . . 74.230000000000004 109.868 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 25.4 mt -104.36 144.67 31.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 112.14 -170.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.9 m -73.63 117.51 15.49 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.792 0.33 . . . . 64.230000000000004 111.147 175.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.16 128.01 9.41 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.296 -0.478 . . . . 51.25 112.579 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 93.3 m-85 -94.61 137.29 33.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.096 0.474 . . . . 73.150000000000006 111.597 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 47' ' ' LYS . 15.4 t70 -69.18 147.38 51.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 109.773 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.69 -11.95 49.5 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.524 0.564 . . . . 75.420000000000002 112.524 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.49 -49.55 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.772 0.32 . . . . 74.150000000000006 110.606 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.31 75.4 0.02 OUTLIER Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.994 -0.622 . . . . 65.540000000000006 113.76 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 63.8 mttm -143.61 161.55 38.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.574 0.35 . . . . 65.040000000000006 110.559 175.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -111.73 124.58 52.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.703 0.287 . . . . 53.009999999999998 111.448 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -152.67 120.75 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.962 -0.385 . . . . 73.409999999999997 109.962 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.04 130.11 39.17 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.781 0.66 . . . . 72.400000000000006 112.781 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.53 HD21 ' HD1' ' A' ' 69' ' ' HIS . 3.9 mm? -110.94 140.74 45.19 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.727 -0.67 . . . . 44.219999999999999 109.809 172.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -137.76 139.63 40.18 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.032 0.444 . . . . 70.540000000000006 112.102 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.599 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 52.8 p90 -157.07 161.55 39.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.143 0.497 . . . . 73.219999999999999 112.313 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 p -98.38 157.86 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.071 -0.513 . . . . 70.030000000000001 111.108 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.42 179.65 6.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.129 0.49 . . . . 62.240000000000002 111.987 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -35.44 11.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.074 -0.512 . . . . 75.239999999999995 112.023 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -127.16 179.54 5.38 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.009 0.433 . . . . 71.129999999999995 111.115 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -77.09 107.78 9.7 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.756 -0.831 . . . . 64.239999999999995 108.756 166.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.26 174.41 4.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.097 0.475 . . . . 64.329999999999998 112.194 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -64.56 100.08 0.35 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.414 0.626 . . . . 72.519999999999996 110.986 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -69.32 14.53 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.121 1.156 . . . . 62.450000000000003 114.121 -169.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -139.38 -7.75 1.32 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.974 -0.454 . . . . 63.25 111.697 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 175.92 9.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 37.469999999999999 111.847 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.84 136.3 52.63 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.102 -0.499 . . . . 74.400000000000006 110.168 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 4.2 mp -110.41 130.63 55.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.054 0.454 . . . . 74.150000000000006 111.652 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -84.74 95.85 9.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.399 -0.593 . . . . 75.140000000000001 109.399 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 78' ' ' TRP . 31.3 m -99.48 135.18 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.765 0.654 . . . . 62.25 112.765 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.22 105.88 3.12 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.35 -0.841 . . . . 74.239999999999995 110.859 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.53 ' HD1' HD21 ' A' ' 51' ' ' LEU . 11.9 t60 -74.18 96.92 2.84 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.009 0.433 . . . . 63.310000000000002 111.429 -173.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 29.2 m -120.23 118.36 30.26 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.466 -0.333 . . . . 55.509999999999998 111.146 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -53.71 -62.72 1.47 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.757 0.651 . . . . 55.109999999999999 112.757 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 20.78 1.19 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.06 0.763 . . . . 74.409999999999997 113.06 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 24.3 tptm -143.23 -8.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.871 0.367 . . . . 54.210000000000001 111.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.3 -82.68 0.13 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.854 -0.499 . . . . 65.219999999999999 111.854 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 74.2 t -140.11 116.94 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 122.802 0.441 . . . . 72.239999999999995 110.412 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.8 t -87.61 -18.3 29.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.637 0.256 . . . . 64.439999999999998 111.66 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.14 148.99 15.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.588 -0.278 . . . . 72.219999999999999 111.381 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.446 ' HB3' HG12 ' A' ' 67' ' ' VAL . 47.2 p-90 -145.67 140.95 27.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.928 0.394 . . . . 75.530000000000001 111.947 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 32.0 mt-10 -120.94 136.48 54.95 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.532 -0.304 . . . . 51.409999999999997 110.99 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.51 106.25 18.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.55 -0.295 . . . . 73.030000000000001 110.872 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -115.17 163.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.178 0.513 . . . . 64.0 112.191 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.55 147.47 25.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.432 -0.349 . . . . 65.439999999999998 111.43 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -24.7 55.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.446 0.536 . . . . 75.010000000000005 112.446 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.05 -50.71 72.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.268 0.556 . . . . 71.109999999999999 111.543 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.88 -2.43 56.44 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.902 -0.59 . . . . 72.219999999999999 111.611 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.28 145.03 29.27 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.476 -0.329 . . . . 74.439999999999998 110.901 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.82 105.62 0.39 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.318 2.012 . . . . 54.420000000000002 112.44 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.53 18.45 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.425 -0.352 . . . . 55.0 111.62 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -39.97 -40.19 0.98 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.883 0.873 . . . . 74.430000000000007 112.402 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.7 t -57.83 -46.35 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 120.901 0.381 . . . . 75.310000000000002 111.718 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 116.605 -0.271 . . . . 65.340000000000003 111.667 -179.461 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 109.889 -0.411 . . . . 74.299999999999997 109.889 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . 0.732 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 19.5 m-20 -138.27 113.15 9.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.757 -0.201 . . . . 73.109999999999999 110.556 173.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.03 111.95 24.67 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.312 0.577 . . . . 61.210000000000001 110.991 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.55 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 111.392 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -95.06 100.41 12.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.986 0.422 . . . . 75.010000000000005 111.021 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.55 148.67 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.429 -0.35 . . . . 64.25 111.231 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -105.63 175.38 5.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.177 0.513 . . . . 54.229999999999997 111.617 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 60' ' ' ARG . 48.3 mm -79.5 105.19 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.007 -0.542 . . . . 71.319999999999993 111.835 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.1 p -96.93 -69.21 0.77 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.46 -0.337 . . . . 75.439999999999998 111.199 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -103.29 128.45 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.017 0.436 . . . . 71.340000000000003 111.422 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.58 167.57 16.18 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.094 0.473 . . . . 60.210000000000001 111.94 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.19 8.0 64.39 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 114.788 0.675 . . . . 64.200000000000003 114.788 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.18 90.42 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.528 0.664 . . . . 71.409999999999997 110.499 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . 0.723 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 12.6 pt-20 -80.27 121.51 25.73 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.509 0.671 . . . . 73.549999999999997 111.673 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.403 ' O ' HG21 ' A' ' 22' ' ' VAL . 16.6 m -108.54 89.3 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.658 0.742 . . . . 65.25 111.45 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 CA--C 1.54 0.573 0 CA-C-N 116.041 -0.527 . . . . 71.140000000000001 110.908 176.699 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . 0.488 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 87.4 m-85 . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 120.661 0.267 . . . . 65.25 110.817 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.723 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.14 108.41 6.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.767 0.318 . . . . 73.25 111.548 174.382 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 4.4 m-20 -85.49 146.98 26.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.515 -0.311 . . . . 72.25 110.516 175.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.13 117.62 29.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.948 0.404 . . . . 74.109999999999999 110.903 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' HA ' HG21 ' A' ' 54' ' ' THR . 42.8 tt0 -84.57 105.15 15.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.375 0.509 . . . . 74.209999999999994 112.375 -172.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -96.12 92.73 6.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.144 -0.48 . . . . 74.549999999999997 110.492 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 16.4 ttpt -99.15 106.82 19.05 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 122.269 -0.269 . . . . 64.040000000000006 110.539 176.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 39' ' ' LEU . 1.4 mm? -114.43 135.85 53.65 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.964 0.411 . . . . 63.119999999999997 111.552 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -75.87 98.87 4.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.031 0.443 . . . . 74.439999999999998 110.019 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.38 130.95 19.15 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 116.135 -0.484 . . . . 64.129999999999995 112.951 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -96.99 132.44 42.8 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.866 0.365 . . . . 74.109999999999999 111.44 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.79 158.85 31.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.315 -0.402 . . . . 63.149999999999999 112.064 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -50.71 -39.86 52.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.313 0.645 . . . . 74.400000000000006 112.208 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.67 -56.83 12.7 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.14 0.495 . . . . 72.400000000000006 111.063 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.22 48.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.488 -0.778 . . . . 61.25 111.472 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -112.86 -179.35 3.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.684 0.393 . . . . 74.519999999999996 111.154 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.88 138.92 53.12 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.912 0.387 . . . . 75.420000000000002 111.2 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -144.31 141.53 29.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.229 -0.294 . . . . 61.109999999999999 110.409 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.78 114.78 26.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 122.031 -0.418 . . . . 73.430000000000007 111.895 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.75 146.84 46.65 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 120.712 0.291 . . . . 71.25 110.977 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -147.46 124.91 11.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.83 0.307 . . . . 73.5 111.83 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.41 127.69 33.92 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.186 0.517 . . . . 73.430000000000007 111.21 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 25.5 p -96.57 112.75 24.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.065 0.46 . . . . 74.019999999999996 112.006 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.97 150.93 20.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.972 0.415 . . . . 65.340000000000003 111.952 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -77.79 -16.7 58.18 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.594 0.59 . . . . 60.240000000000002 112.594 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.69 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 10.1 mtpm? -139.61 160.64 39.39 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.769 0.318 . . . . 71.120000000000005 111.317 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.23 119.04 10.16 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.574 -0.528 . . . . 74.120000000000005 109.574 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.449 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 84.2 mt -80.52 -89.17 0.07 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.282 0.845 . . . . 72.340000000000003 113.282 -170.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD2' ' C ' ' A' ' 59' ' ' LEU . 11.0 mpt_? -125.32 -163.9 1.24 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.78 0.324 . . . . 71.25 111.444 -172.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -129.05 -77.02 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.015 0.436 . . . . 74.5 111.08 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -87.54 -18.38 29.9 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.825 0.345 . . . . 74.510000000000005 111.554 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.61 49.28 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.105 0.479 . . . . 70.109999999999999 112.224 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 83' ' ' LYS . 10.8 m-85 -98.23 160.45 14.28 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.793 0.806 . . . . 74.530000000000001 111.839 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 80' ' ' GLU . 29.1 mt -131.44 135.55 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.366 -0.833 . . . . 72.510000000000005 110.899 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 35.8 mtp-105 -80.74 90.46 5.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.33 -0.395 . . . . 63.439999999999998 110.264 175.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.9 t -86.23 126.6 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.489 0.662 . . . . 72.310000000000002 111.915 -176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 32.3 t80 -89.41 128.13 35.9 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.376 -0.829 . . . . 70.310000000000002 112.139 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . 0.732 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 25.3 t-80 -92.1 129.98 37.93 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.312 0.486 . . . . 73.549999999999997 112.312 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -140.41 168.92 18.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.148 -0.478 . . . . 65.349999999999994 110.98 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.9 -68.05 0.61 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.15 0.426 . . . . 75.329999999999998 112.15 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -87.48 -4.05 59.0 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.333 0.864 . . . . 54.299999999999997 113.333 -170.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -113.29 -24.99 9.06 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.277 -0.264 . . . . 74.040000000000006 111.677 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.21 -64.93 2.74 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.545 -0.836 . . . . 38.200000000000003 111.681 -172.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 90.1 t -124.56 119.74 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.935 0.397 . . . . 70.140000000000001 111.017 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -92.95 -26.18 17.68 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.834 0.309 . . . . 75.209999999999994 111.834 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -171.47 166.34 6.88 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.808 0.337 . . . . 71.209999999999994 111.864 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.447 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 39.9 p-90 -152.05 134.14 15.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.248 -0.433 . . . . 72.200000000000003 111.109 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -121.22 144.95 48.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.218 0.532 . . . . 72.299999999999997 111.696 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.534 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.3 tt0 -76.11 127.25 32.54 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.709 -0.678 . . . . 73.340000000000003 112.273 -174.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.12 151.28 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-O 121.397 0.618 . . . . 73.420000000000002 112.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.7 mtpp -84.73 148.52 26.32 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.965 -0.561 . . . . 74.010000000000005 110.708 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -83.18 3.94 28.77 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.069 0.461 . . . . 71.430000000000007 111.628 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -107.67 -10.53 15.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.391 -0.368 . . . . 74.430000000000007 111.81 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.8 pt-20 -97.27 -10.52 25.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.007 0.432 . . . . 64.420000000000002 111.275 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.81 158.67 72.69 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.138 -0.483 . . . . 64.420000000000002 111.605 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -49.41 143.72 19.87 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.914 2.41 . . . . 70.310000000000002 113.593 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -29.07 22.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.108 0.781 . . . . 74.439999999999998 113.108 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.64 -22.47 66.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.571 0.582 . . . . 72.530000000000001 112.571 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.12 -52.5 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.310000000000002 110.539 175.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 CA--C 1.541 0.606 0 CA-C-N 116.242 -0.435 . . . . 63.450000000000003 111.176 176.321 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD3' ' HH ' ' A' ' 68' ' ' TYR . 92.2 mttt . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.834 0.35 . . . . 73.310000000000002 111.049 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -112.38 149.21 32.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.804 0.335 . . . . 70.109999999999999 111.861 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -114.75 132.98 56.27 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.922 0.392 . . . . 64.120000000000005 110.673 170.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.09 126.32 51.95 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.269 -0.269 . . . . 75.519999999999996 110.961 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.08 99.86 12.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.013 0.435 . . . . 74.200000000000003 110.491 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.5 150.07 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.23 -0.441 . . . . 60.32 111.674 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.6 pt20 -97.57 134.79 40.31 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.036 0.446 . . . . 62.399999999999999 111.215 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.62 97.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.207 0.527 . . . . 74.340000000000003 112.086 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -82.34 -44.94 15.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.059 -0.519 . . . . 75.319999999999993 111.461 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.67 139.77 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.254 -0.43 . . . . 61.109999999999999 111.586 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -131.41 161.99 31.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.805 0.336 . . . . 73.049999999999997 111.591 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.97 9.69 22.41 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 114.696 0.639 . . . . 51.140000000000001 114.696 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 64.9 tttm -78.78 138.67 38.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.445 0.623 . . . . 63.530000000000001 109.998 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -127.63 158.91 36.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.313 0.578 . . . . 74.530000000000001 112.016 -173.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.68 57.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.286 0.565 . . . . 73.120000000000005 110.496 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.768 0.795 . . . . 65.040000000000006 111.075 -177.367 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.009 0.433 . . . . 75.109999999999999 111.377 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.683 ' HZ1' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mtmp? -88.15 69.19 9.22 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 73.219999999999999 110.988 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -86.59 166.9 15.04 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.934 0.397 . . . . 75.219999999999999 110.878 175.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -86.8 156.39 19.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.26 0.552 . . . . 72.310000000000002 112.126 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -154.32 138.8 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.918 -173.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -129.76 102.06 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.366 -0.379 . . . . 73.340000000000003 110.796 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 22.7 ttpp -94.19 120.22 34.13 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.799 0.333 . . . . 73.150000000000006 111.034 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.41 161.6 40.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.498 0.665 . . . . 62.409999999999997 112.221 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 37.1 m -84.07 109.82 17.98 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.991 -0.55 . . . . 73.340000000000003 112.057 -178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 154.71 36.66 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.276 -0.488 . . . . 41.539999999999999 112.679 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.89 126.52 48.87 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.016 0.436 . . . . 75.019999999999996 111.594 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . 0.665 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 14.6 t70 -71.5 154.72 41.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.955 -0.566 . . . . 73.239999999999995 111.121 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.79 -27.28 59.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.092 0.775 . . . . 70.150000000000006 113.092 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.4 0.68 55.12 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.048 0.451 . . . . 72.049999999999997 111.76 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.63 46.59 3.96 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.299 -0.477 . . . . 63.329999999999998 112.58 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.665 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 92.2 mttt -121.15 -179.6 4.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.501 0.32 . . . . 74.239999999999995 110.909 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.38 160.96 15.74 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.099 0.777 . . . . 73.329999999999998 113.099 -174.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 22.7 tptt -170.11 93.55 0.23 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.889 -0.596 . . . . 74.439999999999998 110.882 167.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 2.3 tm-20 -80.2 107.03 12.66 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.168 -0.469 . . . . 42.039999999999999 110.628 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 pp -138.6 175.22 9.75 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.504 0.557 . . . . 55.009999999999998 112.504 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HB3' ' HG3' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -132.56 157.9 43.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.904 0.383 . . . . 53.350000000000001 111.831 -179.147 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 65' ' ' LEU . 52.6 p90 -140.68 151.33 44.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 62.229999999999997 110.808 173.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.2 p -108.71 140.26 42.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.402 0.519 . . . . 73.030000000000001 112.402 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.8 167.38 16.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.831 -0.622 . . . . 64.430000000000007 110.857 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -85.34 -47.94 9.53 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.162 0.506 . . . . 75.25 111.062 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -126.57 163.77 22.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.022 -0.535 . . . . 74.329999999999998 110.753 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.46 118.9 8.16 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.347 -0.388 . . . . 72.319999999999993 110.897 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -90.12 -172.3 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.171 0.51 . . . . 74.030000000000001 112.186 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.74 111.75 20.42 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.086 0.469 . . . . 71.120000000000005 112.168 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -76.65 162.84 27.41 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.172 0.511 . . . . 55.409999999999997 112.122 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 64.29 7.99 3.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.729 0.776 . . . . 72.540000000000006 111.485 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.75 150.93 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 71.0 109.935 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PHE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 38.0 m-85 -82.39 156.54 24.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 74.030000000000001 110.425 176.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 1.5 tt -145.68 126.82 14.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.331 0.586 . . . . 62.299999999999997 111.232 -173.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -81.35 92.42 6.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.426 -0.807 . . . . 73.409999999999997 110.794 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.23 137.9 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.708 0.766 . . . . 72.540000000000006 112.275 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . 0.422 ' HH ' ' HD3' ' A' ' 8' ' ' LYS . 73.8 t80 -91.79 130.6 37.54 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.857 -1.065 . . . . 72.310000000000002 112.189 -174.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -74.96 103.96 5.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.953 0.406 . . . . 72.430000000000007 111.605 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -100.9 149.37 23.95 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.452 -0.34 . . . . 71.310000000000002 111.653 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.33 -41.85 98.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.119 -0.491 . . . . 75.109999999999999 111.734 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -83.02 -0.08 47.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.371 -0.377 . . . . 74.319999999999993 111.759 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.509 ' HZ1' ' HB2' ' A' ' 73' ' ' LYS . 0.1 OUTLIER 63.78 -161.78 0.28 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.667 0.387 . . . . 73.099999999999994 110.129 -167.698 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.6 -17.63 5.3 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 120.589 -0.815 . . . . 61.240000000000002 113.499 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t 64.07 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.495 0.664 . . . . 75.519999999999996 112.577 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -74.67 -11.38 60.17 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.701 0.63 . . . . 73.099999999999994 112.701 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -159.11 136.24 9.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.79 0.328 . . . . 72.519999999999996 111.573 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' TRP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 64.1 p-90 -147.89 137.39 22.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.001 0.429 . . . . 73.129999999999995 111.781 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -123.34 138.27 54.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.362 -0.381 . . . . 72.430000000000007 111.255 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -83.92 128.89 34.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.525 -0.307 . . . . 72.299999999999997 110.648 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.52 146.02 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.592 0.71 . . . . 62.509999999999998 112.238 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.043 -0.526 . . . . 73.5 110.804 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.01 -33.31 75.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.381 0.61 . . . . 62.350000000000001 109.978 172.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.83 -21.65 64.82 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.675 -0.693 . . . . 73.510000000000005 111.759 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -85.68 -0.4 55.05 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.913 0.338 . . . . 65.409999999999997 111.913 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.32 123.52 52.39 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.099 0.407 . . . . 71.409999999999997 112.099 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 156.3 21.17 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.262 1.974 . . . . 54.420000000000002 112.271 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.41 28.41 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.977 0.417 . . . . 63.420000000000002 111.733 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.32 -24.64 29.96 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.549 0.574 . . . . 74.319999999999993 112.549 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.51 -42.86 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.38 0.61 . . . . 62.219999999999999 110.688 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.539 0.547 0 CA-C-N 116.13 -0.486 . . . . 70.310000000000002 111.737 -178.558 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.107 0.479 . . . . 65.349999999999994 111.723 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.89 108.54 6.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.236 -0.29 . . . . 74.209999999999994 111.116 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.447 ' HG ' ' N ' ' A' ' 4' ' ' ASN . 2.2 pt? -65.38 -59.65 3.8 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 111.336 0.125 . . . . 73.040000000000006 111.336 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.447 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 2.5 m-20 46.9 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.09 0.774 . . . . 75.310000000000002 113.09 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -133.92 -8.12 2.73 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.293 -0.412 . . . . 73.430000000000007 111.26 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.9 mtm 52.69 -93.25 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.846 0.459 . . . . 73.439999999999998 112.149 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.71 35.83 58.32 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 121.17 -0.538 . . . . 73.439999999999998 113.18 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -86.47 147.2 26.09 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.931 0.396 . . . . 73.109999999999999 111.854 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.873 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 12.2 m-20 -83.73 153.94 23.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.5 -0.318 . . . . 74.409999999999997 110.995 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.491 ' HG2' ' HE2' ' A' ' 44' ' ' LYS . 13.6 pt-20 -137.91 123.17 19.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.209 0.528 . . . . 62.439999999999998 110.399 171.431 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.504 ' CE2' ' HB3' ' A' ' 43' ' ' ASP . 90.0 m-85 -102.95 121.01 41.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 74.519999999999996 111.27 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -80.39 100.55 8.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.26 -0.427 . . . . 64.010000000000005 110.64 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG13 ' HA2' ' A' ' 41' ' ' GLY . 5.2 m -105.85 165.34 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.224 0.535 . . . . 73.109999999999999 111.415 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.24 115.97 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.564 -0.532 . . . . 71.310000000000002 109.564 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -65.09 93.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.281 0.562 . . . . 63.530000000000001 112.13 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.4 p -98.56 -37.19 9.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.572 -0.74 . . . . 55.009999999999998 111.233 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.2 m -89.61 119.5 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.194 0.521 . . . . 74.540000000000006 111.252 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -131.67 160.83 34.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.397 0.517 . . . . 75.510000000000005 112.397 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.69 9.85 70.55 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 116.097 1.199 . . . . 75.329999999999998 116.097 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 91.4 mttt -71.75 86.56 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.144 0.972 . . . . 74.129999999999995 112.013 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.98 109.2 16.87 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.102 0.477 . . . . 73.299999999999997 111.035 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.4 ' O ' HG21 ' A' ' 22' ' ' VAL . 19.9 m -88.89 86.99 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 122.094 0.95 . . . . 72.200000000000003 111.323 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -65.12 -4.55 5.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.54 -0.754 . . . . 72.140000000000001 111.865 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -63.64 -10.57 19.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.154 -0.475 . . . . 73.049999999999997 111.461 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -82.23 14.13 3.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.641 0.608 . . . . 75.299999999999997 112.641 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . -50.31 -45.71 54.88 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 111.835 0.309 . . . . 71.209999999999994 111.835 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 44.79 -80.26 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.612 0.967 . . . . 72.0 113.612 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ALA . 27.5 t-20 -66.11 -35.77 81.38 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.366 0.603 . . . . 71.219999999999999 111.142 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.65 34.19 1.02 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.982 -0.554 . . . . 61.039999999999999 112.536 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.493 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . 26.3 mt-30 -116.4 -177.74 3.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 65.439999999999998 111.341 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -97.75 10.1 40.92 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.604 0.594 . . . . 71.049999999999997 112.604 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.493 ' CD2' ' HB2' ' A' ' 30' ' ' GLN . 54.4 p90 -71.63 139.22 49.22 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.051 0.453 . . . . 71.230000000000004 111.181 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -135.59 131.5 35.96 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.322 -0.399 . . . . 74.049999999999997 111.896 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.65 159.86 19.72 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.076 -0.342 . . . . 61.149999999999999 110.076 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.463 ' O ' ' HA ' ' A' ' 54' ' ' THR . 96.2 m-85 -108.18 139.61 42.6 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.203 -0.311 . . . . 74.319999999999993 111.37 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -102.56 125.28 49.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.848 0.356 . . . . 73.430000000000007 111.625 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.46 89.31 3.07 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.399 -0.364 . . . . 75.219999999999999 110.88 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.05 121.56 42.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.422 -0.354 . . . . 74.120000000000005 110.658 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.74 176.54 12.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.477 0.547 . . . . 73.129999999999995 112.477 -172.707 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.6 m -93.91 117.85 30.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 63.119999999999997 111.155 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.565 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -98.27 133.84 11.48 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.212 -0.518 . . . . 45.140000000000001 113.13 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.96 116.54 32.74 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.78 0.324 . . . . 73.219999999999999 111.181 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.504 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -82.19 -179.86 7.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.691 0.626 . . . . 72.019999999999996 112.691 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.491 ' HE2' ' HG2' ' A' ' 10' ' ' GLU . 68.6 mttm -66.04 -33.39 75.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.828 -0.624 . . . . 64.099999999999994 111.91 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.6 -50.57 62.6 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.333 0.587 . . . . 72.049999999999997 110.567 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.84 41.01 0.47 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.809 -0.632 . . . . 65.019999999999996 112.764 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -106.28 -179.28 3.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.907 0.384 . . . . 61.32 110.804 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -119.04 107.61 13.72 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.112 0.482 . . . . 73.5 110.961 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -98.34 135.76 39.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.311 -0.404 . . . . 70.25 110.984 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -95.11 117.64 30.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.37 -0.234 . . . . 74.239999999999995 110.37 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 51' ' ' LEU . 2.2 pt? -141.5 140.59 33.54 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.214 0.53 . . . . 75.109999999999999 111.806 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.36 110.35 13.26 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.929 -0.578 . . . . 72.140000000000001 110.255 174.063 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -109.19 135.26 50.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.141 0.496 . . . . 71.150000000000006 110.959 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.463 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 34.5 p -99.25 131.11 45.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.993 -0.548 . . . . 74.439999999999998 111.032 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.78 47.7 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.265 -0.425 . . . . 72.510000000000005 111.502 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -35.81 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.071 0.462 . . . . 73.230000000000004 110.707 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.454 ' HB3' ' HE2' ' A' ' 57' ' ' LYS . 47.6 mtpt -110.28 160.83 16.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.387 -0.37 . . . . 64.319999999999993 111.371 177.04 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -85.21 123.26 30.5 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.559 -0.534 . . . . 64.420000000000002 109.559 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.08 -174.52 3.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.981 0.734 . . . . 71.030000000000001 112.981 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -75.19 111.52 10.53 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.365 0.602 . . . . 73.109999999999999 112.51 -174.5 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -78.81 157.4 28.41 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.661 -0.7 . . . . 72.340000000000003 111.518 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 43.2 tt0 68.56 2.52 3.42 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.036 0.535 . . . . 72.340000000000003 112.066 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.63 163.58 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.93 -0.482 . . . . 73.219999999999999 111.936 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.32 109.88 22.31 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 61.399999999999999 109.862 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.543 HD22 ' HB2' ' A' ' 78' ' ' TRP . 2.7 tt -102.26 123.21 45.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.002 0.43 . . . . 73.140000000000001 111.086 -171.609 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -87.98 105.43 17.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.403 -0.362 . . . . 72.25 110.658 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.71 121.97 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.111 0.412 . . . . 73.430000000000007 112.111 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.474 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -72.84 149.47 43.54 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.832 0.349 . . . . 71.200000000000003 111.135 176.393 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.873 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 53.4 t-80 -142.26 135.87 29.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.246 0.546 . . . . 55.350000000000001 112.192 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -144.75 147.11 32.56 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.954 -0.566 . . . . 64.530000000000001 110.082 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.18 -38.09 76.02 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.658 0.985 . . . . 74.319999999999993 113.658 -172.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -74.82 -13.01 60.52 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.414 1.264 . . . . 73.439999999999998 114.414 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -151.2 2.82 0.43 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.412 -0.805 . . . . 73.150000000000006 112.907 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.559 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 71.71 -82.15 0.5 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.973 -0.632 . . . . 52.310000000000002 113.387 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.12 147.07 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 120.934 0.397 . . . . 43.530000000000001 111.769 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.448 ' HB2' ' HE2' ' A' ' 68' ' ' TYR . 48.9 m -151.43 -60.45 0.17 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.131 0.491 . . . . 74.420000000000002 111.327 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.474 ' O ' ' HB3' ' A' ' 68' ' ' TYR . . . -101.57 145.51 28.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.962 0.41 . . . . 64.049999999999997 111.819 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.543 ' HB2' HD22 ' A' ' 65' ' ' LEU . 40.0 p-90 -160.85 151.46 18.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.322 -0.399 . . . . 73.040000000000006 111.55 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -132.44 147.85 52.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.506 0.67 . . . . 72.040000000000006 112.443 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -96.27 119.56 34.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.443 -0.799 . . . . 74.129999999999995 111.394 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.86 177.28 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.442 0.639 . . . . 72.420000000000002 111.926 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -118.67 162.79 17.82 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.006 -0.543 . . . . 75.200000000000003 110.514 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HZ2' ' CG ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -60.82 -20.91 62.55 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.834 0.35 . . . . 71.109999999999999 111.892 -177.609 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.439 ' CG ' ' HZ2' ' A' ' 83' ' ' LYS . 4.0 m-20 -73.6 -33.74 64.73 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.01 0.433 . . . . 72.310000000000002 111.208 177.226 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.21 -26.34 39.2 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.116 -0.493 . . . . 64.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.35 154.73 86.04 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.214 -0.448 . . . . 73.129999999999995 111.537 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.28 140.41 88.38 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.386 2.057 . . . . 74.329999999999998 112.469 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.26 46.67 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.926 0.393 . . . . 73.0 111.654 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.37 -29.93 59.39 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.158 -0.474 . . . . 70.340000000000003 111.814 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.28 -38.13 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.051 0.453 . . . . 74.430000000000007 110.792 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.14 -30.8 65.38 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.001 -0.545 . . . . 73.400000000000006 110.741 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -78.6 -9.56 59.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.292 0.568 . . . . 52.299999999999997 110.793 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HG3' HD12 ' A' ' 94' ' ' LEU . 59.6 tptt -90.7 -60.79 1.82 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.932 -0.576 . . . . 71.109999999999999 109.958 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.411 HD12 ' HG3' ' A' ' 93' ' ' LYS . 10.3 mp -120.16 133.31 55.53 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.342 -0.39 . . . . 70.230000000000004 110.824 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.61 18.19 21.59 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.978 -0.63 . . . . 51.140000000000001 113.631 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.65 141.07 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.089 0.471 . . . . 71.200000000000003 111.897 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -115.28 161.71 18.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.239 -0.437 . . . . 72.140000000000001 111.542 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -75.09 170.8 15.31 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.329 -0.396 . . . . 63.009999999999998 110.858 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 44.4 tt0 64.84 11.9 7.31 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.498 0.666 . . . . 73.340000000000003 111.369 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -84.41 -6.05 59.34 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.775 -0.578 . . . . 63.310000000000002 111.932 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -83.59 18.15 1.99 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.09 -0.382 . . . . 73.230000000000004 111.259 172.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.77 102.96 0.11 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.827 0.451 . . . . 70.040000000000006 111.908 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -146.11 145.18 30.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.425 -0.352 . . . . 75.329999999999998 110.868 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -69.89 152.41 44.55 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.81 0.338 . . . . 54.420000000000002 111.077 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.717 -0.659 . . . . 74.219999999999999 111.424 179.331 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.474 ' N ' ' SD ' ' A' ' 1' ' ' MET . 1.6 pmm? . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.844 0.354 . . . . 73.409999999999997 111.321 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.69 85.54 0.12 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.313 0.578 . . . . 73.010000000000005 112.38 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.574 HD11 ' HB3' ' A' ' 77' ' ' ALA . 2.4 pt? -91.43 2.15 56.62 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.936 -0.575 . . . . 72.319999999999993 111.674 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -49.28 -40.47 34.63 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.197 0.814 . . . . 74.400000000000006 113.197 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 5' ' ' ARG . 55.8 mmt-85 -125.25 43.54 3.02 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.359 0.503 . . . . 73.439999999999998 112.359 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 3' ' ' LEU . 87.3 mtp -96.98 101.6 13.21 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.386 -0.37 . . . . 73.420000000000002 110.386 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.27 62.57 0.52 Allowed Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.349 -0.929 . . . . 40.039999999999999 113.786 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 15.9 tptm -81.0 -125.26 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 O-C-N 122.496 -0.414 . . . . 75.209999999999994 110.576 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.55 106.46 3.47 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.873 -0.517 . . . . 73.200000000000003 111.343 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 118.79 36.19 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.455 0.645 . . . . 55.450000000000003 110.652 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -93.48 139.62 30.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.0 -0.546 . . . . 71.25 111.315 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.04 100.21 12.68 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.115 -0.493 . . . . 74.430000000000007 110.773 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.92 162.31 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.953 0.406 . . . . 62.450000000000003 111.354 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -133.7 143.14 48.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.514 -0.312 . . . . 71.540000000000006 110.457 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.456 ' HB ' ' O ' ' A' ' 61' ' ' LYS . 40.2 mm -69.72 92.96 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 121.206 0.527 . . . . 70.019999999999996 112.05 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 p -86.82 -65.47 1.01 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.124 -0.489 . . . . 73.420000000000002 111.331 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -95.76 109.39 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 121.291 0.567 . . . . 64.319999999999993 111.819 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.89 -178.75 3.44 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.256 0.55 . . . . 73.109999999999999 111.971 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.9 7.94 63.11 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 121.158 -0.544 . . . . 61.399999999999999 114.016 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.468 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 65.1 mttm -80.04 155.39 27.61 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.99 0.395 . . . . 51.229999999999997 110.983 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.13 147.45 36.72 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.969 0.414 . . . . 54.420000000000002 111.842 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.418 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.9 m -92.35 81.49 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 122.041 0.924 . . . . 71.430000000000007 110.594 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -80.72 -13.31 59.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.524 -0.762 . . . . 63.109999999999999 111.621 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.506 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 30.1 t -67.91 69.05 0.12 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.453 -0.794 . . . . 75.540000000000006 112.488 -176.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.506 ' HB2' ' O ' ' A' ' 24' ' ' SER . 2.0 tpmt? 165.37 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.731 0.777 . . . . 75.340000000000003 111.105 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.99 -14.26 58.71 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.321 0.86 . . . . 62.219999999999999 113.321 -171.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.451 ' HA ' HE21 ' A' ' 30' ' ' GLN . 7.9 m-20 -60.24 -22.65 63.29 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.142 1.164 . . . . 74.010000000000005 114.142 -171.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -88.29 6.86 35.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.89 -0.506 . . . . 64.430000000000007 111.975 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.86 60.25 0.05 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.636 -0.586 . . . . 75.439999999999998 111.636 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.451 HE21 ' HA ' ' A' ' 27' ' ' ASP . 64.2 mt-30 -63.54 86.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.161 0.8 . . . . 75.340000000000003 113.161 -169.226 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -142.05 -1.2 1.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.883 -0.599 . . . . 74.519999999999996 110.804 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -136.36 114.58 11.58 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.396 -0.365 . . . . 75.209999999999994 111.04 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -142.96 113.81 7.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.507 -0.315 . . . . 74.329999999999998 110.864 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -86.37 149.19 25.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.888 0.375 . . . . 73.299999999999997 110.582 177.241 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.27 154.02 33.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.357 0.599 . . . . 71.140000000000001 111.992 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.468 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 37.4 tt0 -119.89 131.97 55.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.747 -0.661 . . . . 75.120000000000005 111.21 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 97.5 m-85 -123.28 103.91 8.81 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.826 0.346 . . . . 70.219999999999999 111.073 178.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -95.25 87.19 4.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.124 0.488 . . . . 53.0 110.443 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.443 HD12 HD13 ' A' ' 15' ' ' ILE . 35.4 mt -106.06 162.03 13.97 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.183 0.516 . . . . 73.310000000000002 112.176 -173.797 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -109.67 117.4 33.81 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.323 -0.399 . . . . 74.140000000000001 111.024 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.92 130.3 10.19 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.34 -0.457 . . . . 61.210000000000001 112.851 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -90.68 132.32 35.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.172 0.51 . . . . 74.209999999999994 111.689 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.452 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 30.2 t70 -77.71 168.15 20.42 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.849 -0.614 . . . . 75.540000000000006 111.842 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.31 -30.01 68.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.077 -0.511 . . . . 70.450000000000003 112.363 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.43 -8.65 50.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.246 0.546 . . . . 72.299999999999997 110.888 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.39 25.1 8.42 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.152 -0.476 . . . . 41.420000000000002 113.681 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.452 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 66.8 mmtt -89.5 173.43 8.34 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.182 -0.599 . . . . 73.209999999999994 111.485 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -108.93 129.98 55.44 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.309 0.485 . . . . 71.129999999999995 112.309 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.25 140.53 47.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.303 -0.408 . . . . 75.420000000000002 110.396 172.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.23 113.47 20.07 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.032 0.444 . . . . 73.340000000000003 111.803 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.561 HD13 HG13 ' A' ' 67' ' ' VAL . 4.1 mm? -99.55 82.8 2.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.492 0.663 . . . . 50.450000000000003 110.203 173.063 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.43 99.27 9.1 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.736 -0.666 . . . . 54.119999999999997 110.477 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -128.25 173.03 10.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.16 -0.473 . . . . 73.030000000000001 111.496 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.5 p -121.72 158.37 28.9 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.306 0.575 . . . . 75.219999999999999 112.305 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -147.37 137.47 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 74.549999999999997 110.005 176.217 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.16 -34.58 77.86 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.193 -0.317 . . . . 71.230000000000004 111.841 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -129.0 153.6 47.42 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.934 0.397 . . . . 72.400000000000006 111.36 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.71 133.14 48.78 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.248 -0.433 . . . . 62.240000000000002 111.372 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 pp -105.15 -165.24 1.11 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.262 -0.426 . . . . 74.409999999999997 112.05 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -61.42 115.84 4.2 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.854 0.359 . . . . 74.340000000000003 111.775 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.456 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 48.0 mtpt -69.98 -50.39 42.19 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.442 0.534 . . . . 71.340000000000003 112.442 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.42 21.07 7.51 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.401 0.519 . . . . 63.310000000000002 112.401 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.15 179.76 4.17 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.864 0.364 . . . . 75.030000000000001 111.393 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.514 ' HB2' HG22 ' A' ' 81' ' ' VAL . 69.7 m-85 -113.38 161.93 16.7 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.411 -0.359 . . . . 75.319999999999993 110.779 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD23 ' HA ' ' A' ' 80' ' ' GLU . 87.6 mt -130.75 123.79 29.99 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.886 0.374 . . . . 75.400000000000006 111.859 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -81.99 91.39 6.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.843 0.354 . . . . 70.040000000000006 110.366 171.028 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.561 HG13 HD13 ' A' ' 51' ' ' LEU . 60.0 t -85.12 129.21 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.031 0.443 . . . . 72.319999999999993 111.327 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.459 ' HD2' ' H ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -69.18 137.63 53.44 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.181 0.515 . . . . 72.310000000000002 111.656 177.971 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.73 147.57 37.61 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.02 -0.537 . . . . 75.430000000000007 110.722 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 m -146.45 -169.11 3.19 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.204 -0.453 . . . . 73.200000000000003 110.786 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.38 -34.05 64.0 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.162 0.506 . . . . 71.140000000000001 111.119 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.447 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -69.17 -14.8 63.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.855 0.687 . . . . 73.109999999999999 112.855 178.64 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.6 ttmt 67.28 -72.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.148 -0.686 . . . . 72.239999999999995 109.148 -164.565 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.63 -79.76 0.01 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.665 1.026 . . . . 43.399999999999999 115.665 168.346 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.7 t 68.22 102.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.0 0.52 . . . . 73.450000000000003 110.985 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.459 ' H ' ' HD2' ' A' ' 68' ' ' TYR . 93.0 p -123.57 -42.08 2.23 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.198 0.444 . . . . 74.409999999999997 112.198 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . 0.574 ' HB3' HD11 ' A' ' 3' ' ' LEU . . . -129.6 148.22 51.47 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.548 0.573 . . . . 65.230000000000004 112.548 -177.491 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -147.93 152.35 37.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.867 -0.606 . . . . 73.010000000000005 111.496 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -126.78 149.57 49.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.888 0.375 . . . . 73.109999999999999 111.608 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.489 ' HA ' HD23 ' A' ' 65' ' ' LEU . 52.0 mt-10 -85.02 108.31 17.56 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.949 -0.569 . . . . 71.430000000000007 111.254 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.514 HG22 ' HB2' ' A' ' 64' ' ' PHE . 35.4 m -112.18 171.83 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 121.113 0.482 . . . . 63.240000000000002 111.578 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -118.2 167.09 11.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.391 0.615 . . . . 74.230000000000004 112.589 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -60.7 -14.6 21.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.722 -0.672 . . . . 74.5 112.47 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.46 -37.71 78.86 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.303 0.483 . . . . 70.310000000000002 112.303 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.445 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 10.4 pt-20 -93.41 3.69 55.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.829 0.347 . . . . 63.409999999999997 111.687 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.532 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 80.2 mt -136.51 52.96 6.74 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-N 116.399 -0.364 . . . . 73.25 111.79 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.532 ' HD3' ' N ' ' A' ' 86' ' ' LEU . 8.6 Cg_exo -72.08 172.17 15.27 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.309 2.006 . . . . 72.219999999999999 113.243 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.56 -37.21 62.68 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.476 0.547 . . . . 62.310000000000002 112.476 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.418 ' HE2' ' HG2' ' A' ' 87' ' ' PRO . 61.2 pttt -58.12 -24.41 58.66 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.261 0.467 . . . . 60.020000000000003 112.261 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 87.7 t -77.97 -56.07 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.96 0.41 . . . . 73.109999999999999 110.988 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.23 -4.61 26.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.271 -0.422 . . . . 60.450000000000003 111.566 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.55 -46.77 88.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.859 0.463 . . . . 64.319999999999993 111.141 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.578 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 4.0 mppt? -96.96 -55.93 2.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.57 -0.286 . . . . 74.540000000000006 111.763 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.403 ' HB2' ' O ' ' A' ' 93' ' ' LYS . 91.9 mt 67.39 106.2 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.09 0.471 . . . . 63.43 111.637 -173.749 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.86 -44.73 3.3 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 121.07 -0.586 . . . . 75.340000000000003 113.835 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.578 ' HB ' ' HB3' ' A' ' 93' ' ' LYS . 31.4 t -58.16 139.28 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.043 0.449 . . . . 73.530000000000001 112.092 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 105.07 10.13 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.368 -0.378 . . . . 73.040000000000006 111.896 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.457 HD23 ' N ' ' A' ' 98' ' ' LEU . 1.7 pt? -134.65 105.89 6.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.341 0.591 . . . . 65.099999999999994 110.405 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -79.73 -52.99 7.24 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.122 -0.49 . . . . 74.340000000000003 111.427 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -140.23 151.2 44.97 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.794 0.331 . . . . 74.230000000000004 111.107 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -82.61 132.4 35.19 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.448 0.536 . . . . 72.430000000000007 112.448 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -136.83 98.4 3.77 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.87 -0.605 . . . . 74.200000000000003 110.143 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -65.11 -32.44 74.14 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.445 -0.343 . . . . 72.409999999999997 111.779 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -174.97 164.17 3.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.097 0.475 . . . . 72.120000000000005 111.722 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.675 -0.678 . . . . 74.019999999999996 110.053 168.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 120.673 0.273 . . . . 72.140000000000001 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.74 93.75 4.34 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.214 0.531 . . . . 51.149999999999999 110.713 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.576 ' HA ' ' HE3' ' A' ' 6' ' ' MET . 2.4 pt? -92.69 0.6 57.45 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.171 -0.468 . . . . 72.299999999999997 111.493 177.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -84.92 -42.61 14.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.346 -0.388 . . . . 64.530000000000001 111.76 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -108.8 -57.35 2.15 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.473 -0.33 . . . . 74.040000000000006 111.498 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.576 ' HE3' ' HA ' ' A' ' 3' ' ' LEU . 53.1 mtt 59.0 -169.48 0.13 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.317 0.58 . . . . 64.5 112.51 -177.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.85 21.89 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 CA-C-N 115.979 -0.555 . . . . 71.230000000000004 113.525 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 65.39 148.64 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.531 0.681 . . . . 72.030000000000001 112.657 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.625 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 71.4 m-20 -108.48 133.87 52.04 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.166 0.508 . . . . 74.040000000000006 110.861 173.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -126.12 102.34 7.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.586 0.708 . . . . 75.120000000000005 111.098 -174.799 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.552 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 90.9 m-85 -92.46 104.18 16.52 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.927 -0.483 . . . . 74.319999999999993 110.548 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -87.11 101.6 13.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.11 0.481 . . . . 73.010000000000005 111.028 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 36.0 m -123.85 173.86 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 74.319999999999993 111.912 -176.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -122.22 170.08 10.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.931 0.396 . . . . 74.010000000000005 110.714 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -70.55 90.89 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.132 0.491 . . . . 72.439999999999998 112.035 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -80.41 -67.3 0.78 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.266 -0.424 . . . . 71.530000000000001 110.9 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.17 119.72 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.191 0.519 . . . . 75.519999999999996 111.288 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -130.39 160.69 33.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.111 0.482 . . . . 71.010000000000005 111.882 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.45 68.09 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 114.581 0.593 . . . . 44.149999999999999 114.581 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HD3' ' HB3' ' A' ' 36' ' ' GLU . 66.0 tttm -70.28 91.29 0.73 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 117.697 0.749 . . . . 63.439999999999998 110.431 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -79.29 96.48 5.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.949 -0.569 . . . . 65.319999999999993 111.501 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.43 HG21 ' HB2' ' A' ' 34' ' ' ASP . 17.1 m -75.08 78.95 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.274 1.035 . . . . 74.430000000000007 110.801 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.445 ' NE2' ' HB2' ' A' ' 30' ' ' GLN . 68.6 t60 -92.37 9.52 33.79 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.886 -1.052 . . . . 70.519999999999996 111.169 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -92.73 67.13 4.48 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.381 0.512 . . . . 41.409999999999997 112.381 -174.772 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.482 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 86.5 tttt -170.01 14.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.088 0.471 . . . . 64.200000000000003 111.267 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.41 -62.24 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.62 0.6 . . . . 60.509999999999998 112.62 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 61.43 94.9 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.034 0.445 . . . . 44.219999999999999 112.15 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 57.94 30.06 18.58 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.735 0.643 . . . . 73.030000000000001 112.735 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.81 60.75 0.06 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.644 -0.789 . . . . 74.140000000000001 113.363 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.445 ' HB2' ' NE2' ' A' ' 23' ' ' HIS . 23.5 pt20 -89.13 86.88 6.98 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.784 0.661 . . . . 73.109999999999999 112.784 -176.117 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -133.74 22.57 3.93 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.171 -0.468 . . . . 74.120000000000005 111.558 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -142.44 158.21 43.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.19 0.519 . . . . 75.25 111.651 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.76 152.76 45.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.874 -0.603 . . . . 74.219999999999999 111.646 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.43 ' HB2' HG21 ' A' ' 22' ' ' VAL . 8.7 m-20 -131.3 150.97 51.93 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.905 -0.589 . . . . 74.439999999999998 110.12 173.125 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.28 129.68 52.1 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.617 0.246 . . . . 75.109999999999999 111.381 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.441 ' HB3' ' HD3' ' A' ' 20' ' ' LYS . 42.0 tt0 -100.56 127.42 46.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.88 0.372 . . . . 74.310000000000002 111.343 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.8 94.5 4.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 72.049999999999997 111.287 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 87.9 tttt -94.82 93.01 7.23 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.231 0.538 . . . . 74.140000000000001 109.809 173.386 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -104.55 146.7 28.52 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 73.340000000000003 111.62 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 84.9 m -82.65 99.61 9.69 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.997 0.427 . . . . 74.439999999999998 111.618 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -88.25 130.47 10.13 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 116.239 -0.437 . . . . 54.240000000000002 113.085 178.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -90.36 117.42 29.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.325 0.583 . . . . 65.329999999999998 111.352 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.38 164.87 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.665 -0.698 . . . . 50.100000000000001 111.84 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.625 ' NZ ' ' HA ' ' A' ' 9' ' ' ASP . 63.1 mttp -55.93 -34.31 65.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.144 0.424 . . . . 70.219999999999999 112.144 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -76.86 0.96 18.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.201 0.445 . . . . 61.100000000000001 112.201 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.46 5.18 79.46 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.393 -0.432 . . . . 54.439999999999998 112.815 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -74.44 156.86 36.52 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.622 -0.34 . . . . 70.109999999999999 111.688 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.99 102.29 10.78 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.562 0.696 . . . . 71.349999999999994 111.073 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -105.98 145.09 31.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.816 -0.629 . . . . 64.420000000000002 110.928 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.48 115.99 28.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.461 0.648 . . . . 71.099999999999994 111.713 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -101.63 105.49 16.43 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.253 -0.43 . . . . 73.530000000000001 110.663 178.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 9.5 pt-20 -98.48 117.29 32.59 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.139 0.495 . . . . 64.540000000000006 111.531 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.001 0.429 . . . . 73.230000000000004 111.34 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -89.35 143.99 26.41 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.202 0.525 . . . . 75.230000000000004 111.451 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.77 165.53 19.11 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.463 0.649 . . . . 72.030000000000001 112.045 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.51 -25.39 31.11 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.501 -0.772 . . . . 71.420000000000002 112.605 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.689 ' HB3' ' HZ3' ' A' ' 57' ' ' LYS . 7.9 mtpm? -138.09 170.84 15.33 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.084 0.469 . . . . 70.109999999999999 111.938 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -72.26 103.39 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.807 -0.633 . . . . 64.310000000000002 109.601 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.28 149.54 45.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.796 0.331 . . . . 61.020000000000003 111.474 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 HH11 ' HD2' ' A' ' 60' ' ' ARG . 54.1 mtt180 -57.15 109.68 0.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.553 0.575 . . . . 75.510000000000005 112.553 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.467 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 28.4 mtpp -61.29 137.72 58.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.323 -0.399 . . . . 75.099999999999994 110.769 175.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.467 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 51.8 mm-40 73.72 10.63 4.74 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.459 0.703 . . . . 64.099999999999994 112.829 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.92 155.73 16.64 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.804 0.335 . . . . 65.430000000000007 110.875 173.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -101.22 117.42 34.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.163 0.506 . . . . 65.430000000000007 111.559 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.504 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 92.3 mt -93.04 119.6 32.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.244 -0.434 . . . . 63.140000000000001 111.711 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.445 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 42.9 ttm180 -82.04 90.29 6.5 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.384 -0.371 . . . . 71.329999999999998 110.08 173.211 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.552 ' HB ' ' HB2' ' A' ' 11' ' ' TYR . 59.6 t -84.6 123.18 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.576 0.703 . . . . 74.409999999999997 111.928 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.59 126.66 35.39 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.105 -0.952 . . . . 73.409999999999997 111.404 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.451 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 11.7 t-160 -74.56 121.32 21.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.995 -0.548 . . . . 71.400000000000006 110.876 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.1 t -129.59 177.21 7.38 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.103 0.478 . . . . 73.510000000000005 112.126 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.9 -54.39 3.35 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.854 -0.612 . . . . 70.140000000000001 112.02 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -48.94 -41.04 32.54 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.883 1.068 . . . . 74.439999999999998 113.883 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.41 ' O ' ' HG3' ' A' ' 73' ' ' LYS . 26.4 tptp -150.77 28.28 0.7 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.483 0.659 . . . . 54.439999999999998 111.05 -177.254 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 -47.95 2.66 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.081 -0.581 . . . . 74.209999999999994 113.11 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.31 146.31 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 120.907 0.384 . . . . 71.200000000000003 110.876 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.6 t -135.88 -35.94 0.77 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.116 0.484 . . . . 75.230000000000004 111.255 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.4 146.62 42.44 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.381 -0.372 . . . . 70.340000000000003 111.678 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.445 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 63.4 p-90 -151.78 144.44 24.28 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.023 0.439 . . . . 75.310000000000002 111.289 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.504 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 37.9 mt-10 -115.32 143.24 45.57 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.032 0.444 . . . . 72.319999999999993 111.191 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.434 ' HA ' HD23 ' A' ' 65' ' ' LEU . 42.6 tt0 -101.25 91.94 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 74.530000000000001 110.242 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.3 m -112.89 176.02 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.365 0.602 . . . . 75.329999999999998 112.436 -175.486 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -119.1 170.12 9.34 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.935 -0.575 . . . . 75.409999999999997 112.078 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -21.9 63.47 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 112.099 0.407 . . . . 64.349999999999994 112.099 178.882 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.15 -24.16 66.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.27 0.557 . . . . 75.219999999999999 110.812 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -86.42 -51.17 6.38 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.873 -0.603 . . . . 63.140000000000001 111.034 174.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.459 ' HB3' HG22 ' A' ' 90' ' ' VAL . 82.9 mt -93.78 114.91 64.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.946 -0.57 . . . . 71.150000000000006 111.822 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.32 162.21 31.24 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.403 2.069 . . . . 75.540000000000006 113.035 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -21.47 4.0 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.624 0.602 . . . . 70.140000000000001 112.624 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.44 ' HA ' ' HE3' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -45.55 -32.25 2.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.704 0.402 . . . . 63.409999999999997 111.804 176.066 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.459 HG22 ' HB3' ' A' ' 86' ' ' LEU . 67.4 t -60.53 -59.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 62.219999999999999 111.374 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -74.75 -25.38 59.05 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.355 0.502 . . . . 64.400000000000006 112.355 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.02 -45.42 18.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.17 0.433 . . . . 73.329999999999998 112.17 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.421 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 4.6 mptp? -93.75 -60.53 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.135 -0.353 . . . . 73.420000000000002 111.692 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.547 HD22 HG13 ' A' ' 96' ' ' VAL . 4.9 tt 175.44 -42.42 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.043 0.449 . . . . 45.109999999999999 110.473 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 120.35 -13.79 10.21 Favored Glycine 0 CA--C 1.524 0.601 0 CA-C-N 116.055 -0.521 . . . . 37.140000000000001 111.814 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.547 HG13 HD22 ' A' ' 94' ' ' LEU . 29.0 m -59.47 152.64 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.246 0.546 . . . . 73.129999999999995 112.199 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.07 126.7 35.55 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.256 -0.429 . . . . 61.310000000000002 110.958 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.489 ' N ' HD21 ' A' ' 98' ' ' LEU . 1.5 pt? -138.81 84.54 2.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.492 0.663 . . . . 73.099999999999994 111.11 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.451 ' HG3' ' H ' ' A' ' 101' ' ' HIS . 8.1 pt-20 -149.76 -26.41 0.26 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.906 0.706 . . . . 62.210000000000001 112.906 -173.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 62.28 27.28 16.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.472 0.653 . . . . 75.530000000000001 110.482 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.451 ' H ' ' HG3' ' A' ' 99' ' ' GLU . 3.8 t-160 -85.41 106.71 16.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.925 -0.579 . . . . 74.129999999999995 111.452 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -177.81 102.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.074 -0.512 . . . . 73.340000000000003 110.126 173.777 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -70.14 120.02 15.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.162 0.506 . . . . 72.230000000000004 112.265 -174.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . 0.472 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 1.8 p80 -138.45 108.98 6.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.736 -0.666 . . . . 74.340000000000003 109.452 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . 0.472 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 60.9 m80 . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.379 -0.819 . . . . 74.019999999999996 111.394 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.418 ' O ' ' HG3' ' A' ' 1' ' ' MET . 25.3 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 121.204 0.526 . . . . 75.319999999999993 111.548 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.39 127.1 33.81 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.11 0.481 . . . . 71.150000000000006 111.54 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.34 8.07 10.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.351 -0.386 . . . . 74.109999999999999 111.954 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -70.8 115.9 10.48 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.791 0.293 . . . . 73.230000000000004 111.791 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 52.51 65.47 1.5 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.901 -0.591 . . . . 71.109999999999999 112.374 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.7 mtp -87.69 12.24 13.21 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.107 0.41 . . . . 74.439999999999998 112.107 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.18 132.47 11.15 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.771 -0.728 . . . . 63.530000000000001 113.894 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -83.94 -141.38 0.07 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 122.482 0.313 . . . . 74.329999999999998 110.175 171.25 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.694 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 4.7 m-20 -69.82 143.43 52.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.645 -0.659 . . . . 74.409999999999997 111.623 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.528 ' HG2' HH21 ' A' ' 66' ' ' ARG . 7.1 tp10 -126.81 107.81 10.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.353 -0.385 . . . . 64.129999999999995 110.92 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.445 ' HB2' HG21 ' A' ' 67' ' ' VAL . 9.3 m-85 -96.17 129.79 43.39 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.139 0.495 . . . . 72.310000000000002 111.796 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -100.29 101.91 13.03 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.076 -0.511 . . . . 75.329999999999998 111.568 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.87 -179.56 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 116.429 -0.35 . . . . 72.120000000000005 111.586 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -134.71 160.65 37.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.807 0.337 . . . . 71.299999999999997 111.097 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.9 107.3 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 121.141 0.496 . . . . 74.049999999999997 111.986 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 p -86.99 -64.56 1.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.102 -0.499 . . . . 73.150000000000006 111.631 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -128.66 137.67 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 120.928 0.394 . . . . 65.540000000000006 111.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -131.02 -173.94 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.175 0.512 . . . . 64.450000000000003 111.44 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.4 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.603 0.601 . . . . 65.230000000000004 114.603 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.43 ' HE2' ' HB3' ' A' ' 20' ' ' LYS . 47.6 mtpt -70.62 90.47 0.76 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.765 0.783 . . . . 74.400000000000006 110.365 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.518 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 9.8 pt-20 -82.1 108.33 15.49 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.706 0.765 . . . . 73.25 112.048 -175.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 22' ' ' VAL . 22.6 m -89.26 100.24 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.928 0.87 . . . . 72.439999999999998 111.373 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -72.06 34.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.415 -0.811 . . . . 74.329999999999998 111.443 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -87.9 30.85 0.81 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.429 0.529 . . . . 65.200000000000003 112.429 -170.594 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -136.13 27.97 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.217 0.532 . . . . 73.200000000000003 110.058 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.517 ' HA ' ' HB2' ' A' ' 30' ' ' GLN . . . -112.11 10.16 20.29 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.529 0.937 . . . . 71.329999999999998 113.529 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.74 -29.87 60.26 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.382 0.882 . . . . 73.349999999999994 113.382 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -77.06 -18.37 58.12 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.032 0.444 . . . . 75.219999999999999 111.785 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.67 45.43 0.43 Allowed Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.412 -0.423 . . . . 60.109999999999999 112.271 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.517 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . 28.9 mm-40 -115.73 177.52 4.64 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.747 0.308 . . . . 73.439999999999998 111.427 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -140.66 2.92 1.84 Allowed 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.057 0.762 . . . . 65.200000000000003 113.057 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -75.84 163.35 27.32 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.27 0.471 . . . . 71.109999999999999 112.27 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.518 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -128.74 161.47 29.65 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.014 0.746 . . . . 74.420000000000002 113.014 -170.456 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.401 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 14.6 m-20 -130.58 145.08 51.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.193 -0.912 . . . . 73.239999999999995 109.777 166.521 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -84.31 115.33 22.43 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.632 0.253 . . . . 72.319999999999993 111.504 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.68 136.34 37.42 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.125 0.417 . . . . 74.209999999999994 112.125 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 92.7 m-85 -126.66 100.21 6.11 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.077 -0.51 . . . . 72.530000000000001 110.544 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.456 ' HG2' ' HB3' ' A' ' 52' ' ' GLU . 13.9 tmtt? -110.65 124.12 51.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.098 -0.501 . . . . 71.510000000000005 110.158 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.81 165.71 35.69 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.381 0.61 . . . . 75.010000000000005 112.597 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.2 m -90.02 115.95 27.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.247 -0.433 . . . . 75.349999999999994 111.25 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.79 109.94 3.42 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.157 -0.544 . . . . 63.399999999999999 112.775 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.481 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.3 p90 -110.8 122.36 47.64 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.154 0.502 . . . . 65.230000000000004 111.68 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.424 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 28.0 t70 -156.13 -176.57 6.03 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.81 -0.632 . . . . 75.340000000000003 110.563 -173.852 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.424 ' H ' ' CG ' ' A' ' 43' ' ' ASP . 34.0 tptt 82.22 -61.86 0.16 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.847 0.859 . . . . 74.319999999999993 111.385 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.63 35.04 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.434 0.635 . . . . 72.219999999999999 111.081 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.75 44.17 6.53 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.059 -0.591 . . . . 65.430000000000007 113.761 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.481 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 91.6 mttt -124.51 144.93 49.84 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.49 -0.418 . . . . 73.319999999999993 110.444 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -94.93 140.86 29.35 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.043 0.449 . . . . 75.120000000000005 111.353 -175.434 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -138.27 149.0 45.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.065 0.459 . . . . 73.239999999999995 111.327 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.0 108.98 18.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.043 0.449 . . . . 63.5 111.715 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.7 133.37 55.93 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.881 0.372 . . . . 75.530000000000001 111.012 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.456 ' HB3' ' HG2' ' A' ' 38' ' ' LYS . 10.4 pt-20 -150.4 114.41 5.07 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.333 0.587 . . . . 73.540000000000006 111.678 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -125.67 159.5 32.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.189 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.401 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 71.7 p -116.33 118.69 33.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.08 0.467 . . . . 74.209999999999994 112.256 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.66 146.16 25.6 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.029 0.443 . . . . 72.150000000000006 111.507 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.91 -24.22 59.66 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.215 0.531 . . . . 73.209999999999994 111.431 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -120.77 150.09 41.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.01 -0.541 . . . . 72.010000000000005 110.532 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.67 115.49 10.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.977 0.418 . . . . 73.420000000000002 110.031 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -78.43 -174.04 3.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 112.21 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.41 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 92.6 mtt180 -57.7 178.16 0.09 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.237 0.541 . . . . 73.510000000000005 111.596 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.505 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 2.7 mptp? -120.16 -72.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.105 -0.372 . . . . 74.409999999999997 110.809 173.176 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.21 73.67 5.8 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.548 0.69 . . . . 74.099999999999994 110.975 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.2 165.09 22.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 42.030000000000001 111.16 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -103.12 163.06 12.45 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.545 0.688 . . . . 75.329999999999998 111.958 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.544 HD23 ' HB2' ' A' ' 78' ' ' TRP . 3.5 tt -148.14 126.44 12.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.6 -0.727 . . . . 65.049999999999997 109.588 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.528 HH21 ' HG2' ' A' ' 10' ' ' GLU . 77.5 mtp180 -88.97 121.93 31.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.619 -0.264 . . . . 74.420000000000002 110.447 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.445 HG21 ' HB2' ' A' ' 11' ' ' TYR . 28.3 m -112.62 120.06 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 122.202 1.001 . . . . 72.200000000000003 112.022 -176.124 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.436 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 24.2 t80 -69.92 99.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.33 -1.305 . . . . 73.519999999999996 111.655 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.694 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 38.3 t-80 -80.1 98.25 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.0 0.428 . . . . 72.120000000000005 111.391 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 t -99.05 154.0 18.44 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.071 -0.513 . . . . 54.009999999999998 110.338 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.94 -16.4 50.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.809 0.67 . . . . 74.319999999999993 112.809 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.464 ' HZ2' ' HB3' ' A' ' 72' ' ' LYS . 0.4 OUTLIER -72.92 -10.89 60.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.0 0.37 . . . . 74.540000000000006 112.0 176.925 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 67.35 178.62 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.166 0.507 . . . . 63.350000000000001 112.01 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.64 1.52 53.55 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.092 -0.504 . . . . 72.140000000000001 113.795 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.1 t 66.4 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.655 0.74 . . . . 62.539999999999999 112.222 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.436 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 45.2 t -81.63 -37.56 27.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.016 -0.538 . . . . 75.329999999999998 111.477 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -154.57 157.51 38.37 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.463 -0.335 . . . . 73.540000000000006 111.001 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.544 ' HB2' HD23 ' A' ' 65' ' ' LEU . 66.1 p-90 -136.25 119.42 16.6 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.062 0.458 . . . . 75.409999999999997 111.272 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.87 125.8 52.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.892 0.377 . . . . 75.209999999999994 110.673 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -88.06 121.37 30.39 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.78 0.324 . . . . 61.25 111.307 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.04 -178.5 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 121.572 0.701 . . . . 54.310000000000002 112.817 -173.258 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -115.33 167.29 10.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.835 -0.621 . . . . 74.219999999999999 110.783 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -70.02 -20.86 63.24 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.185 0.439 . . . . 72.239999999999995 112.185 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.28 -21.35 64.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.029 0.442 . . . . 75.5 111.5 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -96.06 4.85 52.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.237 -0.438 . . . . 74.109999999999999 111.987 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.0 mt -101.41 150.2 37.01 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.348 -0.387 . . . . 74.120000000000005 111.049 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.428 ' HG2' HG22 ' A' ' 90' ' ' VAL . 15.8 Cg_endo -57.54 143.04 95.53 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.278 1.985 . . . . 62.420000000000002 112.289 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.35 61.67 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.299 0.481 . . . . 65.099999999999994 112.299 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.852 ' HB3' HG23 ' A' ' 96' ' ' VAL . 40.3 mmtm -56.3 -35.45 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.234 0.457 . . . . 70.010000000000005 112.234 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.428 HG22 ' HG2' ' A' ' 87' ' ' PRO . 66.6 t -68.3 -40.43 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.077 0.465 . . . . 73.329999999999998 111.333 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -80.64 -25.92 38.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.975 -0.557 . . . . 71.209999999999994 111.608 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -95.68 -54.25 3.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.921 0.712 . . . . 73.099999999999994 112.921 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.82 -43.34 4.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.058 0.762 . . . . 74.010000000000005 113.058 -168.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 tt 71.97 123.1 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.174 0.589 . . . . 64.129999999999995 110.659 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.27 -46.47 1.16 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 121.485 -0.388 . . . . 72.329999999999998 112.689 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.852 HG23 ' HB3' ' A' ' 89' ' ' LYS . 30.3 m -84.44 161.23 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 122.761 -0.258 . . . . 64.329999999999998 110.852 175.182 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -144.18 0.05 1.02 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.477 1.288 . . . . 74.129999999999995 114.477 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.6 tp -103.65 132.24 50.08 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.691 -0.631 . . . . 62.130000000000003 112.61 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.556 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 81.6 mm-40 -105.7 -86.11 0.48 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.005 0.372 . . . . 74.239999999999995 112.005 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 50.61 87.71 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.886 0.698 . . . . 72.310000000000002 112.886 -174.03 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -116.71 108.68 16.2 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.875 0.369 . . . . 70.120000000000005 110.936 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 68.0 m80 62.64 85.54 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.81 -0.632 . . . . 71.140000000000001 111.611 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -72.02 107.12 4.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.147 -0.686 . . . . 73.400000000000006 109.147 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.01 94.9 0.25 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.39 0.885 . . . . 75.319999999999993 113.39 -170.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--O 1.255 1.35 0 CA-C-N 115.405 -0.816 . . . . 72.129999999999995 113.028 171.893 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.604 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.154 0.502 . . . . 75.219999999999999 111.397 . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.55 76.14 6.61 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.962 0.41 . . . . 73.340000000000003 111.767 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.4 HD21 ' N ' ' A' ' 3' ' ' LEU . 2.3 pt? -55.93 -19.88 13.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.482 0.549 . . . . 64.540000000000006 112.482 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -62.68 -28.05 69.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.962 0.41 . . . . 75.030000000000001 111.743 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -122.72 8.99 9.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.445 -0.343 . . . . 71.230000000000004 111.807 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 63.5 mtt -125.15 132.4 53.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.951 0.405 . . . . 52.140000000000001 111.717 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.69 35.35 46.37 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.262 -0.494 . . . . 51.420000000000002 112.813 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.485 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 11.2 mmpt? -99.97 151.14 21.68 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.697 0.284 . . . . 74.510000000000005 111.328 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.462 ' HB3' ' HB3' ' A' ' 69' ' ' HIS . 18.8 m-20 -75.17 112.37 11.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.692 0.282 . . . . 62.219999999999999 111.721 175.163 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -106.61 120.73 42.74 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.174 0.511 . . . . 74.329999999999998 111.256 176.171 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -116.82 134.51 54.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.192 -0.458 . . . . 74.439999999999998 111.292 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.16 100.44 12.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.062 0.458 . . . . 73.530000000000001 110.919 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.42 141.18 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 120.862 0.363 . . . . 62.229999999999997 111.853 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.409 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.3 pt20 -92.19 139.19 30.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.761 0.315 . . . . 64.230000000000004 110.904 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.65 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 22.3 mm -66.14 125.24 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.04 0.448 . . . . 72.329999999999998 111.023 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.8 p -84.52 -71.18 0.53 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.986 -0.552 . . . . 72.439999999999998 111.897 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.6 148.66 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.916 0.389 . . . . 61.340000000000003 111.51 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.2 172.3 11.95 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.156 0.503 . . . . 42.350000000000001 111.513 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.51 7.29 64.14 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.821 0.689 . . . . 61.409999999999997 114.821 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.09 91.01 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.77 0.785 . . . . 64.439999999999998 110.878 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.75 138.76 46.7 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.057 0.456 . . . . 54.229999999999997 111.76 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.1 m -80.3 64.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.642 0.735 . . . . 45.109999999999999 111.183 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -79.21 38.34 0.35 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.992 -0.549 . . . . 74.209999999999994 110.922 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -55.04 -53.23 58.5 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.697 0.628 . . . . 71.400000000000006 112.697 -172.403 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -164.84 93.9 0.65 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.829 0.824 . . . . 73.450000000000003 111.643 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.32 8.32 13.87 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.428 -0.805 . . . . 74.329999999999998 110.902 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.92 85.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.881 -0.599 . . . . 75.099999999999994 111.717 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 178.46 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 71.310000000000002 109.899 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.93 -40.4 0.67 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 121.041 -0.599 . . . . 62.310000000000002 113.472 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.515 ' N ' HE21 ' A' ' 30' ' ' GLN . 0.0 OUTLIER -95.29 151.9 18.85 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 122.391 -0.476 . . . . 70.319999999999993 111.548 -179.1 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -82.48 129.96 35.01 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.792 0.33 . . . . 65.510000000000005 111.517 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -102.33 105.59 16.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.407 -0.36 . . . . 73.129999999999995 110.559 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -147.12 80.94 1.53 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.507 0.558 . . . . 65.129999999999995 112.507 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -115.39 144.71 43.39 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.709 -0.478 . . . . 74.209999999999994 109.709 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -81.04 132.48 35.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.166 0.508 . . . . 72.329999999999998 112.036 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.447 ' HA ' HG21 ' A' ' 54' ' ' THR . 33.1 tt0 -87.17 124.36 33.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.595 -0.73 . . . . 74.129999999999995 111.518 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.415 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 98.6 m-85 -120.64 108.04 13.54 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.985 0.422 . . . . 75.120000000000005 111.595 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -117.86 116.09 26.27 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.007 -0.542 . . . . 70.040000000000006 110.562 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.62 154.7 43.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.012 0.434 . . . . 54.439999999999998 112.155 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.402 ' HA ' ' O ' ' A' ' 49' ' ' LYS . 44.7 m -108.7 123.55 49.17 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.969 0.414 . . . . 74.230000000000004 111.863 -178.68 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.17 126.95 8.93 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 116.332 -0.394 . . . . 42.140000000000001 112.662 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -103.25 106.26 16.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.757 0.313 . . . . 64.319999999999993 111.158 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.445 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -163.08 174.1 12.67 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.649 -0.25 . . . . 74.030000000000001 110.937 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.519 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 40.8 ttmt 61.02 70.85 0.59 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.351 0.596 . . . . 73.409999999999997 111.131 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 65.75 18.99 11.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.69 -0.686 . . . . 72.239999999999995 112.679 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.88 17.47 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.228 -0.511 . . . . 53.450000000000003 114.122 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.519 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 75.9 mmtt -69.47 121.36 16.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.149 0.475 . . . . 61.420000000000002 110.883 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.81 102.61 13.72 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.459 0.647 . . . . 72.450000000000003 110.872 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.444 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 tptp -104.46 131.22 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 70.340000000000003 111.091 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 95.65 10.35 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.367 0.603 . . . . 72.349999999999994 110.615 172.392 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.556 HD22 HG21 ' A' ' 67' ' ' VAL . 3.9 mp -88.08 144.3 26.58 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 73.239999999999995 111.219 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -134.61 129.57 35.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.144 -0.48 . . . . 73.420000000000002 110.988 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.415 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 21.1 p90 -150.97 130.4 12.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.302 -0.408 . . . . 74.5 111.302 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.447 HG21 ' HA ' ' A' ' 36' ' ' GLU . 44.6 p -100.14 129.73 46.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 72.120000000000005 111.616 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.41 144.79 42.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.312 -0.403 . . . . 73.129999999999995 111.751 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -64.16 -28.69 69.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.109 0.411 . . . . 72.400000000000006 112.109 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -134.87 156.87 48.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.865 0.364 . . . . 75.340000000000003 111.76 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -58.88 120.45 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.814 0.672 . . . . 55.0 112.814 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.1 mt -85.59 170.51 12.51 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.087 -0.506 . . . . 63.210000000000001 110.764 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -88.04 133.66 33.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.979 0.418 . . . . 73.450000000000003 110.959 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.686 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -100.92 170.52 8.24 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.15 0.426 . . . . 72.340000000000003 112.15 -174.542 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.407 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 74.33 -43.74 0.54 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.42 0.688 . . . . 74.430000000000007 111.47 -175.386 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.12 30.46 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.001 0.429 . . . . 71.239999999999995 111.538 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.409 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 56.5 m-85 -100.38 157.54 16.55 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.261 0.553 . . . . 71.510000000000005 112.186 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD11 HG12 ' A' ' 15' ' ' ILE . 2.8 mp -131.4 145.37 51.78 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.08 -0.509 . . . . 74.129999999999995 110.39 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.2 ttm180 -81.44 98.28 8.16 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.651 -0.5 . . . . 61.420000000000002 109.651 170.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.556 HG21 HD22 ' A' ' 51' ' ' LEU . 22.1 m -88.79 125.42 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.944 0.878 . . . . 74.219999999999999 111.867 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.412 ' HE1' ' HD3' ' A' ' 8' ' ' LYS . 28.7 t80 -69.51 99.6 1.28 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.519 -1.219 . . . . 74.230000000000004 110.572 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.463 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 13.0 t-80 -78.06 109.98 12.61 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.878 -0.601 . . . . 73.329999999999998 111.94 -177.807 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -125.11 132.69 53.08 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.643 -0.708 . . . . 63.020000000000003 110.95 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.43 -17.33 12.54 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.015 0.376 . . . . 72.340000000000003 112.015 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -56.67 -62.48 1.7 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 111.997 0.369 . . . . 74.519999999999996 111.997 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.12 19.86 2.61 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.832 0.825 . . . . 74.310000000000002 111.376 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.463 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.22 -67.09 2.81 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 121.124 -0.56 . . . . 36.780000000000001 112.577 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.52 110.86 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 120.823 0.344 . . . . 51.229999999999997 111.387 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.7 m -103.65 -6.74 21.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.861 0.362 . . . . 50.240000000000002 111.372 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.88 151.0 23.12 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.602 -0.272 . . . . 54.340000000000003 111.418 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.473 ' HB3' HG12 ' A' ' 67' ' ' VAL . 14.2 p-90 -156.73 141.33 16.82 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.832 0.349 . . . . 72.310000000000002 111.912 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -136.72 147.72 46.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.398 -0.365 . . . . 74.540000000000006 111.135 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.18 139.86 37.88 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.846 0.684 . . . . 73.340000000000003 112.846 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.72 127.27 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.136 0.575 . . . . 73.400000000000006 110.667 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -73.87 134.49 43.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.801 -0.562 . . . . 70.239999999999995 111.656 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.436 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.66 -18.48 59.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 73.310000000000002 111.707 -177.181 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.76 -20.35 65.94 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.272 0.471 . . . . 72.030000000000001 112.272 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.5 5.64 14.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.461 0.541 . . . . 71.340000000000003 112.461 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.436 HD12 ' HA ' ' A' ' 83' ' ' LYS . 10.9 mp -78.82 143.09 61.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-O 120.657 0.265 . . . . 71.120000000000005 111.337 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.419 ' O ' HG13 ' A' ' 90' ' ' VAL . 24.8 Cg_endo -59.81 142.65 99.03 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.992 2.461 . . . . 61.229999999999997 113.771 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.53 69.78 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.783 0.661 . . . . 44.350000000000001 112.783 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.1 mppt? -60.48 -35.5 76.06 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.379 0.511 . . . . 50.009999999999998 112.379 -176.588 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.419 HG13 ' O ' ' A' ' 87' ' ' PRO . 12.9 p -82.71 -33.62 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 120.969 0.414 . . . . 43.210000000000001 110.955 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.514 ' HD3' ' O ' ' A' ' 91' ' ' LYS . 6.0 tmtm? -63.92 -26.85 68.78 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.209 0.528 . . . . 74.239999999999995 110.136 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -53.11 -25.34 12.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.907 -0.588 . . . . 74.549999999999997 111.647 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.457 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 10.7 mptt -104.93 -41.94 5.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.996 0.427 . . . . 74.510000000000005 110.889 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.19 88.45 5.46 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.334 0.587 . . . . 75.340000000000003 110.568 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.4 -45.06 1.36 Allowed Glycine 0 CA--C 1.526 0.731 0 CA-C-N 116.094 -0.503 . . . . 43.109999999999999 112.787 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -92.45 155.88 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.93 0.395 . . . . 71.129999999999995 110.716 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -101.57 110.63 22.66 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.169 -0.332 . . . . 71.230000000000004 111.693 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.4 ' HG ' ' O ' ' A' ' 98' ' ' LEU . 1.9 pt? -56.77 97.91 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.853 0.835 . . . . 63.340000000000003 111.098 174.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -96.54 -51.08 4.47 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.408 -0.814 . . . . 70.120000000000005 111.799 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 61.73 103.45 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.038 0.447 . . . . 63.539999999999999 111.9 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.78 103.45 7.73 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.208 0.528 . . . . 74.310000000000002 111.764 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -71.88 146.76 47.68 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.013 -0.54 . . . . 75.150000000000006 111.025 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -82.02 130.6 35.13 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.163 0.506 . . . . 74.200000000000003 111.996 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -144.21 136.34 26.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 74.329999999999998 110.876 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.7 m80 . . . . . 0 C--O 1.256 1.401 0 CA-C-O 118.788 -0.625 . . . . 70.230000000000004 111.636 -178.403 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.99 0.424 . . . . 62.340000000000003 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -93.42 80.06 4.38 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.251 0.548 . . . . 72.400000000000006 110.878 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.08 12.5 3.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.418 0.525 . . . . 62.420000000000002 112.418 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -111.68 14.46 21.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.745 0.307 . . . . 73.219999999999999 111.798 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.432 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 93.1 mtt180 -125.32 8.17 7.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.879 0.371 . . . . 72.140000000000001 111.514 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 ptm -136.8 21.33 3.07 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.354 0.872 . . . . 72.209999999999994 113.354 -167.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -73.25 72.84 1.13 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 119.651 -1.261 . . . . 61.32 112.626 -177.645 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.448 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 21.3 pttp -69.72 144.61 52.75 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.819 0.674 . . . . 73.030000000000001 112.819 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -168.69 -179.58 3.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 64.420000000000002 110.48 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.91 114.17 20.1 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.007 0.432 . . . . 52.200000000000003 111.115 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.704 ' HE1' ' HB2' ' A' ' 69' ' ' HIS . 79.0 m-85 -92.2 136.14 33.43 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 122.219 -0.3 . . . . 74.430000000000007 110.944 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.75 100.17 11.73 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.07 0.462 . . . . 72.530000000000001 110.709 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -120.88 148.14 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 112.371 0.508 . . . . 75.129999999999995 112.371 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.62 ' NE2' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -93.56 148.05 22.44 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.67 -0.493 . . . . 74.450000000000003 109.67 176.017 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.62 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 23.7 mm -65.6 93.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 73.319999999999993 111.847 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -80.23 -59.73 2.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.429 . . . . 75.019999999999996 111.558 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.46 125.44 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 121.106 0.479 . . . . 64.420000000000002 111.892 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -131.28 164.97 24.42 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.143 0.497 . . . . 63.43 111.997 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.89 9.18 65.61 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 114.794 0.678 . . . . 73.209999999999994 114.794 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -68.73 95.64 0.68 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.573 0.687 . . . . 70.409999999999997 111.519 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.507 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 42.9 mt-10 -75.21 106.32 6.67 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.303 0.573 . . . . 73.430000000000007 112.144 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 m -84.4 83.91 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.826 0.822 . . . . 73.120000000000005 112.634 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.725 ' HB3' ' HD3' ' A' ' 33' ' ' LYS . 7.6 p80 -89.65 5.88 43.8 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.791 -0.641 . . . . 70.299999999999997 111.019 173.333 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -64.2 -18.74 64.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.721 -0.672 . . . . 71.400000000000006 111.581 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -102.68 27.21 7.14 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.013 0.435 . . . . 38.030000000000001 111.709 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.77 98.11 3.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.043 0.449 . . . . 71.450000000000003 110.265 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -89.28 123.29 33.35 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.56 0.578 . . . . 73.219999999999999 112.56 -171.541 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.613 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 63.87 10.83 5.51 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.716 0.636 . . . . 70.140000000000001 112.716 171.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.97 39.2 0.46 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.479 -0.391 . . . . 62.350000000000001 112.253 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.88 86.14 2.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.552 0.692 . . . . 73.409999999999997 112.472 -175.621 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -107.22 -6.37 17.33 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.74 -0.664 . . . . 71.439999999999998 110.488 172.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -130.01 142.01 50.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.254 -0.885 . . . . 71.230000000000004 110.926 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.725 ' HD3' ' HB3' ' A' ' 23' ' ' HIS . 11.9 pttp -163.57 129.36 3.11 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.218 0.532 . . . . 74.140000000000001 112.244 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.507 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 4.8 m-20 -86.16 175.32 8.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.903 -0.589 . . . . 74.200000000000003 111.163 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -105.27 107.52 18.54 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.985 0.421 . . . . 65.319999999999993 111.642 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.28 140.53 40.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.179 0.514 . . . . 72.219999999999999 111.679 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.465 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 65.7 m-85 -121.9 96.67 5.15 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.079 -0.509 . . . . 74.409999999999997 110.678 175.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.413 ' HD2' ' HB3' ' A' ' 52' ' ' GLU . 56.2 tptt -80.53 90.72 5.71 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.21 -0.45 . . . . 65.540000000000006 110.679 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -113.51 123.87 51.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.885 0.374 . . . . 71.439999999999998 111.735 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.4 m -81.64 114.07 20.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.887 0.375 . . . . 73.510000000000005 111.23 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.64 142.37 16.05 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.178 -0.534 . . . . 72.329999999999998 113.167 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -105.96 106.46 16.98 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.066 0.46 . . . . 75.420000000000002 111.238 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.509 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 33.3 t70 -88.81 156.46 18.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.052 -0.522 . . . . 71.540000000000006 112.14 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 70.85 -66.6 0.28 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.566 -0.743 . . . . 71.319999999999993 111.409 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -154.1 -44.44 0.09 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.767 0.318 . . . . 54.009999999999998 111.163 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.94 23.02 0.28 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 120.704 -0.76 . . . . 54.240000000000002 114.218 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.659 ' HE2' ' HA ' ' A' ' 47' ' ' LYS . 10.9 mmpt? -91.19 119.36 31.22 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 117.306 0.553 . . . . 74.019999999999996 110.351 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -96.78 132.68 42.25 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.118 0.785 . . . . 64.129999999999995 113.118 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -128.74 153.06 47.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.569 -0.741 . . . . 73.420000000000002 109.752 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -87.67 112.62 22.54 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 120.874 0.369 . . . . 73.049999999999997 111.495 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.23 109.15 19.51 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.47 -0.332 . . . . 71.349999999999994 110.932 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.465 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -120.74 133.56 55.33 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.081 0.467 . . . . 70.109999999999999 111.136 178.035 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.525 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 49.9 p90 -138.52 156.05 47.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.907 0.385 . . . . 74.510000000000005 111.628 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.8 p -100.03 117.33 34.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.995 0.426 . . . . 74.219999999999999 111.001 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.26 150.93 22.8 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.283 0.563 . . . . 74.349999999999994 112.127 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -66.81 -29.58 69.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.516 -0.765 . . . . 73.310000000000002 112.247 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -143.5 165.38 27.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.36 0.6 . . . . 73.120000000000005 112.391 -172.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 147.36 48.21 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.714 -0.676 . . . . 65.5 109.942 169.563 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.59 -178.66 3.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.875 0.324 . . . . 61.420000000000002 111.875 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 5.7 mpt_? -70.13 105.84 3.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.284 0.564 . . . . 64.409999999999997 111.448 -177.689 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.22 -23.51 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.789 -0.641 . . . . 71.310000000000002 112.658 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.85 13.65 27.95 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.229 0.455 . . . . 72.329999999999998 112.229 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.22 171.25 7.48 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.137 0.494 . . . . 73.099999999999994 112.14 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.484 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 24.9 m-85 -111.57 133.64 53.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.166 -0.47 . . . . 71.340000000000003 111.021 176.651 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.67 125.16 45.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.253 0.464 . . . . 74.319999999999993 112.253 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.509 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 14.2 mtp180 -89.54 92.69 9.2 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.805 -0.634 . . . . 75.099999999999994 109.996 170.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.536 HG21 ' HB2' ' A' ' 11' ' ' TYR . 31.1 m -90.85 145.65 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.776 0.798 . . . . 71.140000000000001 112.804 -175.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -88.59 116.89 27.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.669 -1.15 . . . . 65.310000000000002 111.747 -174.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.704 ' HB2' ' HE1' ' A' ' 11' ' ' TYR . 20.2 t-160 -74.34 129.44 37.8 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.397 0.618 . . . . 74.420000000000002 112.565 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.421 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 67.7 m -147.42 109.03 4.35 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.16 -0.682 . . . . 60.020000000000003 109.16 168.425 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.432 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 16.4 m-20 -56.11 -25.71 46.98 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.558 0.948 . . . . 74.209999999999994 113.558 -170.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 19.15 19.26 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.748 -0.595 . . . . 74.329999999999998 112.578 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.421 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.1 OUTLIER -143.67 -15.09 0.64 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.087 0.403 . . . . 64.150000000000006 112.087 179.127 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.78 -83.63 0.69 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.2 -0.524 . . . . 64.019999999999996 112.58 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.525 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 95.6 t -136.54 113.65 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.742 0.306 . . . . 73.310000000000002 111.341 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.6 t -93.73 -14.38 26.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.638 0.256 . . . . 65.310000000000002 111.507 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.29 155.44 17.93 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.627 -0.26 . . . . 60.399999999999999 111.026 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -151.27 142.52 23.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.145 0.498 . . . . 75.310000000000002 111.997 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.509 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 33.3 mt-10 -110.78 143.7 40.9 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.076 -0.511 . . . . 55.119999999999997 110.701 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.22 105.0 15.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.847 0.356 . . . . 71.430000000000007 110.953 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.431 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 34.4 m -120.36 -179.81 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.273 0.472 . . . . 73.430000000000007 112.273 -175.819 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 168.98 9.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.063 0.459 . . . . 75.030000000000001 111.505 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.503 ' HA ' HD12 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -75.4 -19.8 59.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.636 0.606 . . . . 62.25 112.636 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.16 -10.39 59.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.991 -0.443 . . . . 71.230000000000004 112.086 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.431 ' OE2' ' HB ' ' A' ' 81' ' ' VAL . 45.0 mt-10 -87.76 -1.87 58.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.823 0.305 . . . . 73.219999999999999 111.823 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 83' ' ' LYS . 7.1 mp -92.98 131.32 33.58 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.736 -0.211 . . . . 73.530000000000001 110.69 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.13 145.37 65.13 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.598 2.199 . . . . 64.450000000000003 112.795 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.0 71.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.146 0.424 . . . . 73.200000000000003 112.146 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.531 ' HA ' ' HB2' ' A' ' 92' ' ' GLU . 46.6 mtpt -57.38 -21.78 38.34 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.5 0.556 . . . . 72.120000000000005 112.5 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.46 -51.92 64.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.019 0.438 . . . . 74.140000000000001 110.655 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.32 -33.68 73.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.225 0.536 . . . . 65.219999999999999 110.566 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.531 ' HB2' ' HA ' ' A' ' 89' ' ' LYS . 41.5 mm-40 -63.59 -15.31 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.528 0.566 . . . . 71.310000000000002 112.528 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -112.11 -10.02 13.92 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 122.228 -0.295 . . . . 61.509999999999998 111.782 172.053 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.2 tp -137.92 105.06 5.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.01 0.433 . . . . 63.109999999999999 111.68 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.6 44.49 6.11 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.35 -0.453 . . . . 71.120000000000005 112.53 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 t -76.25 130.64 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.079 0.466 . . . . 72.230000000000004 112.019 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.664 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 5.1 mmpt? -149.37 110.15 4.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.009 -0.542 . . . . 63.340000000000003 111.161 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -168.23 84.84 0.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.248 0.547 . . . . 75.209999999999994 110.756 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -131.56 -47.01 0.97 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.897 -0.592 . . . . 73.450000000000003 109.733 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 61.74 -161.83 0.29 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.519 -0.764 . . . . 64.439999999999998 111.941 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -20.05 64.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.778 0.323 . . . . 74.450000000000003 111.347 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 70.15 -8.07 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.501 0.72 . . . . 74.25 112.797 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -98.72 131.43 44.88 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.11 -0.369 . . . . 74.120000000000005 110.881 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -169.0 156.18 7.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.468 -0.333 . . . . 75.030000000000001 111.604 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 119.3 -0.381 . . . . 73.209999999999994 110.763 170.929 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.589 ' HE2' HD23 ' A' ' 3' ' ' LEU . 26.0 ttt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.926 0.393 . . . . 65.310000000000002 110.584 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -89.64 106.02 18.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.922 0.391 . . . . 71.329999999999998 111.368 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.589 HD23 ' HE2' ' A' ' 1' ' ' MET . 98.8 mt -79.44 -13.39 59.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.9 0.333 . . . . 72.310000000000002 111.9 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -49.19 -47.96 45.59 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.695 0.628 . . . . 45.539999999999999 112.695 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.42 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -105.49 12.87 30.91 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.243 0.46 . . . . 74.239999999999995 112.243 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.408 ' HB2' ' HA ' ' A' ' 3' ' ' LEU . 23.7 mmt -95.84 157.19 16.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.734 0.302 . . . . 72.129999999999995 111.234 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.03 -105.3 0.19 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.989 -0.624 . . . . 63.039999999999999 113.104 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.4 125.88 14.92 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.839 0.352 . . . . 73.409999999999997 111.125 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -119.28 156.75 29.39 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.011 0.434 . . . . 65.099999999999994 112.015 -176.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.441 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 6.7 pt-20 -106.5 102.14 11.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.183 0.516 . . . . 74.030000000000001 110.252 172.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.497 ' HB3' ' HA3' ' A' ' 41' ' ' GLY . 51.9 m-85 -93.46 123.1 36.54 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.976 -0.453 . . . . 73.540000000000006 111.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.63 103.63 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.067 -0.515 . . . . 72.420000000000002 110.437 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -102.37 165.71 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.244 0.545 . . . . 62.409999999999997 112.363 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -125.55 140.29 52.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.756 -0.656 . . . . 64.030000000000001 109.705 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.8 mm -67.16 100.45 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.106 0.479 . . . . 65.430000000000007 112.093 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.5 p -84.72 -67.7 0.78 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.112 0.482 . . . . 71.129999999999995 110.892 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 m -114.28 131.13 67.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.186 -0.461 . . . . 74.340000000000003 111.373 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.03 159.74 36.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.869 0.692 . . . . 72.340000000000003 112.869 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.96 9.02 70.33 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 115.778 1.071 . . . . 74.329999999999998 115.778 171.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.15 100.32 2.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.372 1.086 . . . . 50.039999999999999 111.191 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.0 124.07 30.06 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.154 -0.475 . . . . 65.219999999999999 111.469 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.438 ' O ' HG22 ' A' ' 22' ' ' VAL . 28.4 m -78.11 81.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 121.973 0.892 . . . . 75.140000000000001 111.267 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -73.91 51.45 0.39 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.809 -0.632 . . . . 73.0 111.457 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -59.42 -29.43 67.75 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 111.889 0.329 . . . . 53.329999999999998 111.889 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.541 ' HZ1' ' HB3' ' A' ' 25' ' ' LYS . 5.3 ttpm? 67.54 92.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.336 0.589 . . . . 74.25 111.812 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.73 81.91 8.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.976 -0.556 . . . . 44.219999999999999 110.685 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -56.55 98.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.478 0.656 . . . . 74.5 111.017 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 175.25 -27.06 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 74.420000000000002 109.895 -173.377 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 147.28 -33.97 1.31 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.497 -0.774 . . . . 62.549999999999997 112.096 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -81.16 95.28 6.85 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.678 0.752 . . . . 64.439999999999998 112.232 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.18 83.37 3.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 53.200000000000003 110.175 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -102.86 147.49 26.82 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.573 -0.74 . . . . 70.120000000000005 112.25 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.76 106.08 9.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.278 -0.419 . . . . 72.120000000000005 110.914 173.863 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -98.75 132.07 44.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 75.409999999999997 110.747 174.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -88.2 108.28 19.21 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.354 -0.384 . . . . 73.519999999999996 110.787 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.8 125.14 41.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.954 0.407 . . . . 71.140000000000001 111.83 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.519 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 30.5 m-85 -119.62 117.01 27.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.693 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -113.01 118.89 36.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.065 0.459 . . . . 75.120000000000005 110.977 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 171.34 14.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.879 -0.6 . . . . 73.530000000000001 111.76 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.8 m -107.53 129.84 54.93 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.286 0.476 . . . . 72.129999999999995 112.286 -175.049 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.497 ' HA3' ' HB3' ' A' ' 11' ' ' TYR . . . -116.5 140.74 16.26 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.155 -0.475 . . . . 75.349999999999994 112.809 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.59 140.46 51.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.835 0.35 . . . . 74.319999999999993 111.609 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.01 165.33 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.214 -0.448 . . . . 75.239999999999995 111.614 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 52.6 -86.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.792 0.837 . . . . 62.32 112.899 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.517 ' HB2' ' HG3' ' A' ' 47' ' ' LYS . 23.1 m-20 -85.16 -5.12 59.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.945 0.402 . . . . 61.439999999999998 111.75 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . 0.508 ' HA3' HG23 ' A' ' 96' ' ' VAL . . . 81.13 19.01 68.0 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.182 -0.532 . . . . 53.109999999999999 112.717 -176.714 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.517 ' HG3' ' HB2' ' A' ' 45' ' ' ASP . 66.9 mttm -71.9 146.05 48.11 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.646 0.26 . . . . 75.510000000000005 111.056 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.01 106.41 18.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.256 0.55 . . . . 74.439999999999998 112.196 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -99.84 136.45 39.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.943 -0.571 . . . . 44.32 110.179 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.58 37.93 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.994 0.426 . . . . 75.150000000000006 111.086 175.758 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -134.9 150.44 50.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.995 0.426 . . . . 74.219999999999999 111.095 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -138.28 134.62 34.58 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.811 0.339 . . . . 62.420000000000002 111.159 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -138.86 142.88 38.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.995 0.426 . . . . 75.439999999999998 111.57 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 p -99.55 109.42 21.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.067 0.461 . . . . 74.400000000000006 110.913 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.61 150.34 21.25 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.332 0.587 . . . . 37.490000000000002 112.076 -176.699 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -74.36 -18.83 60.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.56 -0.745 . . . . 75.540000000000006 111.79 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -129.47 160.52 32.9 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.933 0.397 . . . . 75.129999999999995 111.698 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.519 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 8.4 m120 -83.52 101.67 11.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.948 0.404 . . . . 73.219999999999999 110.839 171.109 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.497 HD23 HD22 ' A' ' 65' ' ' LEU . 1.8 pp -71.07 -175.02 1.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.168 -0.469 . . . . 64.129999999999995 111.954 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -101.38 144.05 30.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.92 0.711 . . . . 63.219999999999999 112.92 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.426 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 23.1 pttm -90.77 179.39 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.359 -0.608 . . . . 75.25 109.359 165.648 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.426 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 68.9 mm-40 65.96 18.29 11.02 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.45 0.643 . . . . 75.030000000000001 110.45 -170.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.22 172.69 12.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.808 -0.633 . . . . 75.510000000000005 111.612 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -125.72 151.75 46.24 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 65.319999999999993 110.119 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.497 HD22 HD23 ' A' ' 59' ' ' LEU . 4.2 mp -127.86 144.09 51.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.871 -0.518 . . . . 63.210000000000001 112.239 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -86.27 97.55 10.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.932 -0.576 . . . . 71.540000000000006 109.785 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.08 130.87 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.521 0.677 . . . . 61.439999999999998 111.243 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.407 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 31.6 t80 -81.3 106.7 13.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.894 -1.048 . . . . 74.409999999999997 111.786 -173.83 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 11.5 t-160 -74.23 105.07 5.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.417 -0.356 . . . . 75.530000000000001 111.241 178.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.8 p -132.79 100.78 5.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.234 -0.439 . . . . 63.100000000000001 110.799 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.31 0.31 1.49 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.902 0.704 . . . . 74.109999999999999 112.902 -174.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -78.94 -29.39 44.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.867 0.365 . . . . 72.349999999999994 110.574 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -139.29 10.4 2.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.788 0.435 . . . . 73.019999999999996 111.762 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.24 -66.02 1.93 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 120.913 -0.661 . . . . 70.030000000000001 112.074 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.77 128.46 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 123.006 0.522 . . . . 74.030000000000001 110.868 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.407 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 37.7 t -99.38 -33.88 10.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.023 0.379 . . . . 74.299999999999997 112.023 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.28 175.4 12.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.39 0.515 . . . . 73.340000000000003 112.39 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -155.16 140.39 17.58 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.735 -0.666 . . . . 72.420000000000002 111.446 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 43.8 mt-10 -119.59 134.09 55.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.589 0.233 . . . . 74.230000000000004 111.322 175.366 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -90.21 109.64 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.818 0.342 . . . . 60.509999999999998 111.187 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.0 m -109.56 172.59 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 120.895 0.379 . . . . 72.430000000000007 111.104 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.506 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -118.51 145.66 45.13 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.421 0.629 . . . . 75.239999999999995 112.232 -177.107 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -4.9 2.07 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.444 0.905 . . . . 64.400000000000006 113.444 -177.772 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.01 -22.61 58.4 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.026 0.38 . . . . 73.299999999999997 112.026 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.7 pt-20 -98.57 1.16 46.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.989 0.423 . . . . 74.299999999999997 111.891 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.5 mt -89.39 122.56 68.34 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.495 -0.321 . . . . 75.120000000000005 111.241 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.24 137.06 54.45 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.772 2.314 . . . . 74.200000000000003 112.767 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.13 64.66 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.007 0.373 . . . . 73.310000000000002 112.007 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HB3' ' HE3' ' A' ' 97' ' ' LYS . 24.7 mmtm -60.33 -37.45 80.67 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.393 0.516 . . . . 72.209999999999994 112.393 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.09 -37.58 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.646 0.736 . . . . 74.239999999999995 110.525 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.33 -20.38 57.31 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.617 -0.72 . . . . 75.319999999999993 110.888 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.8 -52.09 58.7 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.818 -0.628 . . . . 60.340000000000003 111.88 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.402 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 1.2 mptp? -86.06 1.53 49.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.804 0.335 . . . . 72.140000000000001 110.871 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 tt 64.45 79.3 0.26 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.586 0.754 . . . . 75.140000000000001 111.133 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.67 -39.7 2.39 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 116.213 -0.449 . . . . 71.239999999999995 114.07 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.508 HG23 ' HA3' ' A' ' 46' ' ' GLY . 3.4 t -80.27 117.88 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 O-C-N 122.578 -0.366 . . . . 62.420000000000002 111.733 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.438 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 63.8 tttm 173.19 149.85 0.07 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.756 -0.656 . . . . 61.530000000000001 111.706 176.531 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.3 mt -85.02 120.84 26.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.031 -0.531 . . . . 71.409999999999997 110.226 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.461 ' OE2' ' HA ' ' A' ' 101' ' ' HIS . 36.1 tt0 -97.74 -34.46 10.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.124 -0.36 . . . . 70.340000000000003 111.529 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m170 61.25 18.72 9.44 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.009 0.433 . . . . 63.109999999999999 110.739 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.461 ' HA ' ' OE2' ' A' ' 99' ' ' GLU . 0.3 OUTLIER 54.87 83.99 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.568 -0.742 . . . . 71.0 110.373 -171.759 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -68.06 113.53 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 73.530000000000001 112.846 -169.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -120.01 104.21 9.96 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.094 -0.503 . . . . 70.430000000000007 111.154 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -93.69 -37.49 11.8 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.532 0.682 . . . . 74.409999999999997 109.599 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.285 -0.87 . . . . 70.430000000000007 110.761 173.842 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.935 0.398 . . . . 64.400000000000006 110.965 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.96 119.98 11.75 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.959 0.409 . . . . 70.430000000000007 111.43 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -100.63 16.13 25.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.067 0.46 . . . . 60.299999999999997 111.469 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -70.36 -17.34 63.05 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.849 0.685 . . . . 53.420000000000002 112.849 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.405 HH11 ' HD3' ' A' ' 5' ' ' ARG . 46.6 mtt180 -92.45 -10.53 37.58 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 122.089 -0.382 . . . . 75.239999999999995 111.366 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 96.6 mmm -59.73 129.25 40.98 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.454 -0.339 . . . . 71.540000000000006 111.423 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.29 -7.58 60.13 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.389 -0.434 . . . . 72.420000000000002 113.494 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -109.94 116.62 31.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.94 0.4 . . . . 61.32 111.272 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.67 174.98 8.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.094 -0.503 . . . . 54.0 110.421 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.0 136.55 45.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.549 0.69 . . . . 73.409999999999997 111.707 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -100.41 124.44 45.92 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.99 -0.55 . . . . 71.530000000000001 110.658 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.88 107.61 8.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 72.420000000000002 111.199 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.471 HG11 ' HA2' ' A' ' 41' ' ' GLY . 16.1 m -113.35 140.5 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.12 -0.491 . . . . 71.129999999999995 111.112 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.32 138.45 42.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.971 0.415 . . . . 62.420000000000002 111.239 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.39 102.95 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 112.769 0.655 . . . . 62.450000000000003 112.769 -174.417 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -94.09 -67.93 0.83 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.835 -0.62 . . . . 73.140000000000001 112.26 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.19 140.5 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 112.347 0.499 . . . . 74.530000000000001 112.347 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -131.7 155.02 48.38 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.961 0.41 . . . . 74.540000000000006 111.721 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.2 8.28 65.05 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 114.905 0.722 . . . . 64.109999999999999 114.905 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -75.12 89.77 2.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 117.554 0.677 . . . . 73.319999999999993 110.343 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.484 ' CD ' ' HZ2' ' A' ' 33' ' ' LYS . 37.0 mt-10 -98.91 123.69 43.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.629 0.603 . . . . 54.140000000000001 112.629 -172.106 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -89.13 84.0 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.695 0.759 . . . . 65.450000000000003 112.205 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.55 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 14.1 t-80 -94.95 -0.07 54.24 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.07 -0.514 . . . . 72.439999999999998 111.802 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.83 -13.58 62.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.272 -0.422 . . . . 75.310000000000002 112.07 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.33 55.12 0.65 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.148 0.499 . . . . 72.109999999999999 111.282 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -126.66 -72.56 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.17 -0.468 . . . . 62.329999999999998 112.037 179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.453 ' C ' ' H ' ' A' ' 29' ' ' GLY . 26.8 t70 62.87 168.76 0.13 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.794 0.438 . . . . 71.510000000000005 111.162 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.458 HD21 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER 70.81 -34.1 0.29 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.797 0.439 . . . . 71.340000000000003 112.122 -177.13 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.453 ' H ' ' C ' ' A' ' 27' ' ' ASP . . . 120.03 0.15 13.17 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.441 -0.663 . . . . 72.200000000000003 111.441 -170.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.34 149.28 34.18 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.673 0.389 . . . . 75.329999999999998 111.241 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -93.05 45.23 1.17 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.806 0.669 . . . . 73.420000000000002 112.806 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.55 ' O ' ' HA ' ' A' ' 23' ' ' HIS . 20.2 m-85 -72.52 97.72 2.16 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.929 0.395 . . . . 74.310000000000002 110.001 169.821 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' HZ2' ' CD ' ' A' ' 21' ' ' GLU . 48.4 tttm -149.68 69.93 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.304 0.573 . . . . 70.219999999999999 110.457 -174.302 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.49 153.42 21.87 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.702 -0.681 . . . . 63.340000000000003 112.04 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -76.89 124.79 28.25 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.09 -0.505 . . . . 73.099999999999994 111.487 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -109.24 119.95 41.05 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.775 -0.648 . . . . 74.450000000000003 111.279 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.1 119.75 36.21 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.32 -0.4 . . . . 72.239999999999995 111.574 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -115.18 118.44 33.34 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.39 . . . . 60.119999999999997 110.455 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -147.8 154.33 40.34 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.366 0.603 . . . . 74.239999999999995 112.061 -179.249 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.2 m -83.61 113.02 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 70.310000000000002 111.346 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.471 ' HA2' HG11 ' A' ' 13' ' ' VAL . . . -89.82 141.94 16.32 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.139 -0.553 . . . . 50.43 112.956 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.469 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 97.4 m-85 -106.23 127.73 53.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.134 0.492 . . . . 73.049999999999997 111.674 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.95 161.87 29.15 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.705 -0.68 . . . . 71.129999999999995 111.904 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.49 ' HE2' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -65.02 -9.57 22.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.667 0.988 . . . . 55.049999999999997 113.667 -177.51 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.49 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 30.2 t70 -96.79 -10.3 26.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.19 0.519 . . . . 63.240000000000002 110.841 172.72 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.53 49.4 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 116.243 -0.435 . . . . 60.439999999999998 113.092 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.469 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 62.6 mttp -119.8 153.86 35.11 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.643 -0.328 . . . . 73.450000000000003 110.845 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.38 154.79 17.23 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.471 0.545 . . . . 74.510000000000005 112.471 -175.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -170.06 143.56 2.52 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.966 -0.561 . . . . 75.530000000000001 111.031 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -83.8 115.9 22.46 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.749 0.309 . . . . 53.439999999999998 111.695 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.44 153.69 25.76 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.254 0.55 . . . . 72.129999999999995 111.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -141.61 144.34 34.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.015 -0.539 . . . . 73.140000000000001 110.446 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -165.17 165.03 20.07 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.27 0.557 . . . . 74.409999999999997 112.078 177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.6 p -104.11 129.99 51.81 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.888 -0.597 . . . . 65.209999999999994 111.166 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.64 142.77 31.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.277 0.56 . . . . 70.409999999999997 112.163 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.51 -8.18 59.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.451 0.643 . . . . 71.120000000000005 110.884 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -141.44 163.76 32.06 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.898 -0.592 . . . . 60.240000000000002 110.605 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -79.21 105.67 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.883 -0.784 . . . . 64.510000000000005 108.883 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.544 HD12 HD13 ' A' ' 65' ' ' LEU . 46.1 mt -65.47 152.96 42.71 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.064 0.765 . . . . 73.310000000000002 113.064 -169.536 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.66 111.44 3.18 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.976 -0.556 . . . . 73.120000000000005 111.624 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -56.89 139.26 52.13 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.051 0.453 . . . . 74.209999999999994 112.172 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.75 18.02 11.24 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.753 -0.658 . . . . 75.420000000000002 111.66 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.73 162.68 12.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.037 -0.414 . . . . 75.010000000000005 110.64 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.468 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 55.1 m-85 -110.59 130.1 55.65 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.451 0.643 . . . . 73.230000000000004 112.176 -176.342 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.585 HD22 ' HA ' ' A' ' 80' ' ' GLU . 95.7 mt -100.19 127.59 46.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 75.420000000000002 110.967 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -81.96 87.34 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.356 -0.609 . . . . 71.109999999999999 109.356 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.29 128.71 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.362 0.601 . . . . 64.409999999999997 112.016 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.19 95.87 0.79 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.341 -0.845 . . . . 74.019999999999996 110.392 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.461 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 53.4 t-80 -94.14 106.43 18.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.627 0.603 . . . . 74.340000000000003 112.627 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' LYS . 46.9 m -97.05 92.04 5.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.275 -0.42 . . . . 73.019999999999996 111.392 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 54.46 -80.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.244 0.617 . . . . 72.319999999999993 112.592 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.789 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 18.1 ptpt -66.93 -67.5 0.45 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.114 0.483 . . . . 64.019999999999996 110.77 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.789 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 53.2 mtmt -155.44 -64.29 0.12 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.558 0.743 . . . . 71.540000000000006 109.382 -175.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.51 -80.94 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.09 -0.505 . . . . 75.010000000000005 113.08 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.416 ' O ' HG12 ' A' ' 75' ' ' VAL . 16.1 t 59.48 43.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.73 0.776 . . . . 64.329999999999998 111.572 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.6 t -53.37 -43.22 67.62 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.335 0.588 . . . . 70.239999999999995 110.933 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.28 42.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.801 -0.636 . . . . 72.129999999999995 111.102 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -140.35 142.73 35.54 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.272 -0.422 . . . . 73.040000000000006 111.3 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.459 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 35.3 mt-10 -117.77 137.33 52.8 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.415 -0.357 . . . . 71.150000000000006 110.85 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.585 ' HA ' HD22 ' A' ' 65' ' ' LEU . 31.0 tt0 -97.11 94.96 7.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.03 0.443 . . . . 71.349999999999994 111.217 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.33 -179.82 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.172 0.511 . . . . 64.129999999999995 111.904 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -107.88 166.66 10.54 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.376 0.608 . . . . 72.409999999999997 112.21 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -78.91 -27.88 43.84 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.806 -0.633 . . . . 75.25 111.378 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -39.07 81.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.202 0.445 . . . . 63.32 112.202 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.11 3.56 26.53 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.933 0.716 . . . . 65.010000000000005 112.933 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.95 142.9 98.25 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 120.579 0.228 . . . . 74.540000000000006 111.455 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.628 ' O ' HG12 ' A' ' 90' ' ' VAL . 13.9 Cg_endo -55.04 135.67 69.76 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.992 2.461 . . . . 71.209999999999994 113.27 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . 0.533 ' O ' ' HG2' ' A' ' 91' ' ' LYS . . . -49.37 -36.52 21.88 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.061 0.763 . . . . 63.039999999999999 113.061 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.456 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 69.7 mmtt -69.15 -22.1 63.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.139 0.792 . . . . 75.120000000000005 113.139 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.628 HG12 ' O ' ' A' ' 87' ' ' PRO . 5.2 p -73.66 -35.51 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.939 -0.476 . . . . 64.209999999999994 110.948 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . 0.533 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 19.3 ptpt -77.31 -28.49 53.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 64.099999999999994 110.934 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.9 -11.57 60.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.942 0.401 . . . . 74.340000000000003 111.095 175.368 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -103.58 -67.87 0.87 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.851 0.358 . . . . 72.140000000000001 111.304 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.53 127.36 45.61 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.76 0.314 . . . . 74.540000000000006 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.82 8.08 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.77 -0.729 . . . . 65.530000000000001 112.157 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.6 m -63.23 98.74 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 121.941 0.877 . . . . 63.530000000000001 112.57 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.609 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 9.9 mmpt? -106.49 125.89 51.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.251 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.98 83.49 5.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.156 0.503 . . . . 74.319999999999993 111.27 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.38 26.67 0.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.087 -0.506 . . . . 74.340000000000003 111.521 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 69.15 -61.47 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.094 0.558 . . . . 73.430000000000007 110.521 -172.579 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.5 t60 57.14 25.4 10.86 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.254 0.464 . . . . 73.239999999999995 112.254 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -92.01 118.18 30.53 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.865 0.32 . . . . 74.150000000000006 111.865 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 t60 61.65 100.26 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.035 0.445 . . . . 71.430000000000007 111.972 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -92.57 -27.02 17.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.164 0.431 . . . . 73.549999999999997 112.164 -173.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.774 -0.632 . . . . 71.450000000000003 111.648 175.79 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.998 -0.371 . . . . 73.400000000000006 109.998 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 53.9 -171.78 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.729 1.011 . . . . 50.539999999999999 113.729 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -82.8 3.61 28.76 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.907 0.706 . . . . 74.109999999999999 112.907 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -68.67 -6.21 24.75 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.492 0.552 . . . . 71.430000000000007 112.492 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -127.21 -1.08 6.4 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.787 0.291 . . . . 65.519999999999996 111.787 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -123.37 138.51 54.59 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.872 0.367 . . . . 73.439999999999998 111.474 -169.818 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' N ' ' SD ' ' A' ' 6' ' ' MET . . . 162.21 -146.74 12.36 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 120.701 -0.761 . . . . 73.329999999999998 113.45 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -117.66 -85.55 0.64 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.7 0.4 . . . . 71.340000000000003 110.589 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -140.2 144.73 36.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.551 0.34 . . . . 74.109999999999999 110.099 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 136.86 52.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.253 0.549 . . . . 73.230000000000004 111.828 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 52.4 m-85 -110.6 126.72 54.75 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.115 -0.493 . . . . 64.299999999999997 110.888 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.73 100.06 11.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.937 0.399 . . . . 64.239999999999995 110.627 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.52 133.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.869 0.366 . . . . 72.430000000000007 111.535 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.46 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.2 pt20 -88.79 147.62 24.34 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.077 0.465 . . . . 71.409999999999997 111.693 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.59 98.75 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 120.897 0.379 . . . . 75.019999999999996 111.466 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.02 -57.15 8.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.133 0.492 . . . . 71.519999999999996 110.917 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.05 126.11 74.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.047 -0.524 . . . . 74.140000000000001 111.427 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.01 176.35 5.2 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.885 0.374 . . . . 74.239999999999995 110.471 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.64 8.33 67.19 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 121.126 -0.559 . . . . 64.519999999999996 114.35 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.512 ' HB3' ' HB3' ' A' ' 36' ' ' GLU . 55.6 mmtt -74.1 137.36 43.24 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.574 0.687 . . . . 63.420000000000002 110.086 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.5 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 36.5 mt-10 -133.94 122.77 23.58 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.691 0.256 . . . . 72.310000000000002 111.691 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.638 HG13 ' HB2' ' A' ' 36' ' ' GLU . 3.8 m -73.55 78.22 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.864 0.84 . . . . 71.219999999999999 111.158 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.43 91.83 3.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.479 -0.782 . . . . 74.310000000000002 112.388 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -59.93 -64.78 0.83 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.245 -0.434 . . . . 72.549999999999997 110.871 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.44 0.12 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.149 0.499 . . . . 73.310000000000002 111.167 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.523 ' O ' ' HB3' ' A' ' 30' ' ' GLN . . . -77.33 32.97 0.15 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.268 0.84 . . . . 63.219999999999999 113.268 -171.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -113.62 -25.19 8.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.276 0.56 . . . . 65.120000000000005 110.325 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -111.92 19.53 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.993 -0.549 . . . . 70.200000000000003 111.337 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.64 60.05 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 CA-C-N 116.201 -0.454 . . . . 53.509999999999998 112.057 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.523 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 11.4 pt20 -84.37 87.02 7.19 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.123 0.786 . . . . 74.439999999999998 113.123 -171.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -87.44 -14.3 40.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.174 0.987 . . . . 63.219999999999999 109.429 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -129.24 135.9 49.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.399 -1.273 . . . . 74.420000000000002 109.663 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -152.14 101.86 2.74 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 122.327 -0.233 . . . . 63.399999999999999 110.929 -174.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -112.38 156.76 21.95 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.728 0.299 . . . . 73.409999999999997 111.301 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.5 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 76.6 m-85 -102.7 164.14 11.81 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.402 0.89 . . . . 73.530000000000001 113.402 -171.455 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.638 ' HB2' HG13 ' A' ' 22' ' ' VAL . 41.4 tt0 -133.72 142.35 47.93 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.573 -0.739 . . . . 70.340000000000003 111.074 -170.349 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -143.06 107.84 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.109 0.48 . . . . 73.329999999999998 111.779 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.455 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 40.3 ttmt -96.31 101.3 12.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.322 -0.399 . . . . 73.340000000000003 110.388 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 29.8 mt -123.36 168.46 12.49 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.162 0.506 . . . . 64.099999999999994 111.329 -176.629 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -108.0 112.5 25.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.008 0.433 . . . . 73.219999999999999 111.207 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 112.82 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.084 -0.579 . . . . 75.230000000000004 112.496 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -89.47 116.03 27.35 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.028 0.442 . . . . 73.030000000000001 110.64 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -70.02 156.89 38.49 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.115 -0.493 . . . . 75.430000000000007 112.021 -175.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -50.05 -42.15 49.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.692 -0.686 . . . . 63.340000000000003 112.519 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -73.15 -24.44 60.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.03 0.443 . . . . 74.400000000000006 111.469 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.0 31.16 1.47 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 121.423 -0.418 . . . . 71.219999999999999 113.211 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 32.0 mmtp -96.26 170.91 8.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.827 0.346 . . . . 75.209999999999994 111.249 -178.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 137.36 48.28 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.933 0.396 . . . . 74.510000000000005 110.856 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -140.05 137.64 34.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.013 0.435 . . . . 52.200000000000003 111.127 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.71 123.17 20.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.308 -0.406 . . . . 71.25 111.383 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.641 HD21 HG23 ' A' ' 67' ' ' VAL . 22.0 tp -136.77 86.75 2.23 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.229 0.537 . . . . 70.439999999999998 112.216 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.455 ' HG3' ' HG3' ' A' ' 38' ' ' LYS . 8.0 mp0 -105.0 111.04 23.68 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.309 -0.405 . . . . 74.5 110.71 177.414 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -131.54 161.47 32.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.337 0.589 . . . . 74.019999999999996 112.272 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -108.4 169.58 8.55 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.079 -0.51 . . . . 72.230000000000004 111.447 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.37 160.42 41.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.221 0.534 . . . . 40.240000000000002 111.529 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -95.98 -1.53 48.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.066 -0.516 . . . . 74.420000000000002 111.05 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -161.04 145.43 13.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.217 -0.447 . . . . 75.230000000000004 110.631 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.64 125.07 30.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.53 0.205 . . . . 55.140000000000001 110.535 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -103.35 -165.92 1.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.922 0.392 . . . . 72.439999999999998 111.53 178.517 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -85.14 128.1 34.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.83 0.678 . . . . 73.019999999999996 112.83 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.501 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.15 153.22 12.13 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.609 -0.723 . . . . 65.400000000000006 112.484 177.586 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 67.66 -14.27 0.22 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.259 0.837 . . . . 64.329999999999998 113.259 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.438 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.92 146.68 51.03 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.966 -0.458 . . . . 73.450000000000003 111.17 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.46 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 65.9 m-85 -91.86 114.03 26.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.118 0.485 . . . . 75.140000000000001 111.798 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.7 mt -86.29 122.11 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 74.099999999999994 111.745 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.31 86.22 6.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.179 -0.674 . . . . 61.420000000000002 109.179 171.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.641 HG23 HD21 ' A' ' 51' ' ' LEU . 33.1 m -86.49 128.21 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 122.149 0.976 . . . . 74.340000000000003 113.065 -172.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.46 108.43 6.32 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.52 -1.218 . . . . 72.409999999999997 110.539 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.424 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 12.4 t-80 -77.45 110.17 11.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.324 -0.398 . . . . 75.439999999999998 111.994 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.3 p -96.77 164.64 12.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.984 0.421 . . . . 71.439999999999998 110.857 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.04 -29.78 31.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.027 0.441 . . . . 53.049999999999997 111.502 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -74.13 -66.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.729 0.64 . . . . 75.120000000000005 112.729 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.719 ' HB3' ' HZ1' ' A' ' 73' ' ' LYS . 3.7 mmmp? -117.69 26.87 9.4 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.522 0.564 . . . . 74.230000000000004 112.522 -174.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.424 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 76.97 -60.17 3.47 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 121.03 -0.605 . . . . 60.43 113.934 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.16 127.97 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 122.362 -0.493 . . . . 73.099999999999994 111.464 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -107.94 -22.28 12.49 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.041 0.448 . . . . 62.219999999999999 111.471 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.41 155.8 37.05 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.477 -0.329 . . . . 71.540000000000006 111.169 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.5 ' HB3' HG12 ' A' ' 67' ' ' VAL . 25.6 p-90 -156.08 134.44 11.53 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.503 0.557 . . . . 75.400000000000006 112.503 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.84 148.43 42.12 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.859 -0.609 . . . . 72.329999999999998 110.359 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.23 126.52 36.33 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.975 0.417 . . . . 72.5 111.815 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.438 HG22 ' O ' ' A' ' 64' ' ' PHE . 18.9 m -127.8 154.23 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 122.796 0.438 . . . . 74.209999999999994 110.571 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.527 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 3.1 mppt? -107.47 151.29 25.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.966 -0.459 . . . . 74.299999999999997 111.384 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.5 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.127 0.489 . . . . 75.219999999999999 111.915 -177.186 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.38 -32.4 73.2 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.152 0.501 . . . . 41.130000000000003 111.314 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.47 -10.58 58.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.798 -0.637 . . . . 74.450000000000003 112.083 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.15 132.68 73.15 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 122.315 -0.241 . . . . 74.319999999999993 111.046 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.444 ' HG2' HG21 ' A' ' 90' ' ' VAL . 63.8 Cg_endo -71.72 159.56 50.52 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.575 2.183 . . . . 64.120000000000005 113.437 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.24 79.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.074 -0.512 . . . . 73.230000000000004 112.295 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.38 -41.46 69.22 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.124 0.416 . . . . 70.349999999999994 112.124 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG21 ' HG2' ' A' ' 87' ' ' PRO . 33.6 m -93.58 -38.31 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 111.905 0.335 . . . . 71.319999999999993 111.905 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -62.03 -56.18 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.121 0.486 . . . . 73.549999999999997 111.876 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.78 6.1 8.15 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.962 0.41 . . . . 72.239999999999995 112.039 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.419 ' HD3' ' C ' ' A' ' 93' ' ' LYS . 1.6 tmtp? -84.16 -39.28 19.61 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.313 0.578 . . . . 74.019999999999996 109.888 170.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tt -112.71 103.29 11.32 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.888 -0.596 . . . . 71.329999999999998 110.445 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.6 54.98 1.37 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 120.865 -0.683 . . . . 70.040000000000006 113.416 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.6 m -64.88 106.51 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.111 0.481 . . . . 72.430000000000007 111.274 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -96.37 91.11 5.68 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.654 0.74 . . . . 74.439999999999998 112.379 -177.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 6.5 mp -127.98 105.24 8.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.143 -0.48 . . . . 75.329999999999998 110.817 176.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.94 -53.66 4.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.3 0.572 . . . . 73.099999999999994 110.524 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -145.67 167.25 23.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.77 -0.65 . . . . 72.120000000000005 110.356 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -84.49 -51.29 7.02 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.276 0.56 . . . . 62.140000000000001 110.354 175.198 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -156.27 144.31 19.66 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.652 -0.704 . . . . 65.150000000000006 110.332 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -63.72 160.55 16.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 71.400000000000006 111.606 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -58.41 151.93 18.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.312 -0.404 . . . . 71.129999999999995 111.845 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.594 -0.717 . . . . 75.010000000000005 111.501 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.455 ' H3 ' ' CG ' ' A' ' 71' ' ' ASP . 12.7 tpt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.181 0.515 . . . . 75.25 110.265 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.01 173.63 15.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.159 0.504 . . . . 71.319999999999993 111.673 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pp -114.19 18.74 16.87 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.83 -0.623 . . . . 70.0 110.627 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -92.31 -75.33 0.49 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.919 -0.582 . . . . 73.329999999999998 111.639 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -113.09 11.9 19.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.898 0.38 . . . . 64.109999999999999 111.653 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.42 156.7 12.47 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.631 0.604 . . . . 74.319999999999993 112.631 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.74 49.95 0.02 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.301 -0.476 . . . . 38.259999999999998 112.86 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.541 ' HD2' ' HE2' ' A' ' 68' ' ' TYR . 73.4 mmtt 50.47 81.71 0.06 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.11 0.481 . . . . 71.409999999999997 111.902 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.422 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.6 m-20 -69.4 98.96 1.15 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.111 -0.495 . . . . 64.230000000000004 112.313 -176.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.58 107.24 18.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.511 0.672 . . . . 72.540000000000006 110.226 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.422 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 18.6 m-30 -92.38 124.12 36.2 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.07 -0.514 . . . . 74.510000000000005 111.17 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.42 ' CE1' ' HG2' ' A' ' 66' ' ' ARG . 76.8 m-85 -78.4 99.36 6.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.152 0.501 . . . . 74.230000000000004 110.612 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.408 ' O ' ' HA ' ' A' ' 64' ' ' PHE . 31.9 m -111.69 176.01 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.908 -0.587 . . . . 72.540000000000006 111.45 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -134.89 142.65 46.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.704 0.288 . . . . 74.329999999999998 110.893 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.405 HD13 ' CD1' ' A' ' 65' ' ' LEU . 41.7 mm -74.61 99.98 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 112.399 0.518 . . . . 73.329999999999998 112.399 -176.166 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -84.11 -65.03 1.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.899 0.38 . . . . 74.450000000000003 110.728 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.0 129.05 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.016 0.436 . . . . 72.120000000000005 111.43 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -131.1 167.78 18.54 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.096 0.474 . . . . 73.430000000000007 111.479 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.38 8.64 66.66 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 115.282 0.873 . . . . 75.049999999999997 115.282 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.706 ' HB3' ' HZ1' ' A' ' 20' ' ' LYS . 7.8 mtpm? -69.4 91.11 0.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.906 0.853 . . . . 72.209999999999994 110.783 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.53 113.58 7.79 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.327 0.491 . . . . 72.439999999999998 112.327 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.16 85.46 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.8 0.809 . . . . 75.319999999999993 111.12 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.513 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 77.5 t60 -70.24 84.48 0.55 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.713 -0.676 . . . . 72.310000000000002 111.492 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -130.97 -33.09 1.58 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.299 0.481 . . . . 73.530000000000001 112.299 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -74.85 25.73 0.09 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.539 0.57 . . . . 55.420000000000002 112.539 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.68 18.7 20.73 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.708 -0.62 . . . . 73.109999999999999 111.937 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -55.11 -37.43 66.87 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.491 0.922 . . . . 65.120000000000005 113.491 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -86.42 -0.29 55.67 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.673 0.62 . . . . 62.310000000000002 112.673 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.44 -26.18 7.83 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.061 -0.59 . . . . 72.109999999999999 113.276 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.89 96.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.919 0.39 . . . . 52.340000000000003 111.411 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -79.52 74.8 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.264 0.554 . . . . 73.040000000000006 112.364 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.87 -179.93 4.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.2 -0.454 . . . . 75.239999999999995 111.019 171.027 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.513 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 47.4 mtmt -132.51 156.08 47.43 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.784 0.661 . . . . 74.230000000000004 112.784 -173.518 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.92 156.71 24.51 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.518 -0.764 . . . . 70.140000000000001 110.276 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -103.83 113.51 27.09 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.676 0.621 . . . . 71.239999999999995 112.676 -174.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.59 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.5 tt0 -76.96 138.35 39.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.65 -0.704 . . . . 74.25 112.075 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.46 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 95.4 m-85 -132.39 98.21 4.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.019 -0.537 . . . . 74.340000000000003 110.117 173.324 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -101.98 108.91 20.5 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.28 -0.418 . . . . 64.019999999999996 111.632 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.98 159.94 43.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.213 0.449 . . . . 74.439999999999998 112.213 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -103.89 139.96 38.34 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.794 0.331 . . . . 63.240000000000002 111.541 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.423 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -120.95 140.76 14.39 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.304 -0.474 . . . . 74.340000000000003 113.354 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -116.08 149.1 39.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.706 0.403 . . . . 74.099999999999994 110.581 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -167.52 164.49 14.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.719 0.636 . . . . 64.439999999999998 112.719 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.1 mttp 68.23 -79.32 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.799 1.037 . . . . 74.219999999999999 113.799 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.32 -21.82 1.56 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.529 0.566 . . . . 64.150000000000006 112.529 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.95 -0.62 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 C-N-CA 119.866 -1.159 . . . . 52.329999999999998 115.048 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.64 145.65 52.27 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.001 0.9 . . . . 71.030000000000001 111.373 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 13.3 pt-20 -135.75 136.35 40.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.194 0.521 . . . . 74.230000000000004 111.532 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -138.06 146.84 43.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.132 -0.485 . . . . 73.319999999999993 110.695 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.98 104.99 12.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.921 0.391 . . . . 71.409999999999997 111.109 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.12 83.0 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 74.329999999999998 110.616 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -98.91 105.34 17.47 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.509 -0.769 . . . . 72.209999999999994 110.984 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -121.49 169.52 10.56 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.217 0.532 . . . . 74.140000000000001 112.164 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -117.13 112.63 21.14 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.009 -0.541 . . . . 75.140000000000001 111.647 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -96.56 159.09 15.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.064 0.459 . . . . 61.439999999999998 111.026 178.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.3 -3.35 52.25 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.835 0.68 . . . . 74.150000000000006 112.835 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -169.22 165.48 10.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.859 0.361 . . . . 73.340000000000003 111.714 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.46 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 14.8 m120 -68.7 158.96 33.12 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.192 0.52 . . . . 73.420000000000002 112.331 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 pp -139.59 -172.38 3.36 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.898 -0.592 . . . . 64.349999999999994 111.024 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 106.53 3.82 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.35 0.595 . . . . 71.219999999999999 111.901 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -67.56 150.26 49.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.932 -0.576 . . . . 63.32 112.209 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 75.26 -20.59 0.34 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.784 0.834 . . . . 74.430000000000007 112.293 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.5 167.09 17.46 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.918 0.39 . . . . 71.519999999999996 111.617 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.408 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 49.3 m-85 -96.42 152.58 18.47 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.649 . . . . 74.319999999999993 112.351 -176.208 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.493 HD22 ' HA ' ' A' ' 80' ' ' GLU . 52.0 mt -130.68 128.68 41.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.637 -0.71 . . . . 72.219999999999999 111.672 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.601 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 54.6 mtp180 -81.04 86.12 6.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.049 -0.723 . . . . 71.219999999999999 109.049 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -92.79 118.8 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.852 0.834 . . . . 73.5 112.25 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.541 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 47.9 t80 -71.16 119.23 15.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.408 -1.269 . . . . 74.340000000000003 110.804 176.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 41.4 t-80 -96.02 115.77 27.93 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.052 0.454 . . . . 74.319999999999993 111.743 -177.797 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.3 p -109.7 141.98 41.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 72.329999999999998 110.319 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.455 ' CG ' ' H3 ' ' A' ' 1' ' ' MET . 10.8 m-20 -66.16 -15.25 62.98 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.054 0.454 . . . . 74.519999999999996 110.949 177.093 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -57.72 -69.83 0.16 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.675 -0.693 . . . . 71.549999999999997 111.593 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -136.7 35.53 2.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.229 -0.442 . . . . 62.399999999999999 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 78.15 -56.42 4.0 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.091 -0.575 . . . . 63.009999999999998 113.462 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.05 146.49 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 117.203 0.502 . . . . 64.010000000000005 112.282 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.449 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 34.6 t -127.24 -38.31 1.98 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.119 -0.491 . . . . 62.119999999999997 111.09 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.94 165.36 32.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.445 -0.343 . . . . 72.150000000000006 111.263 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 -153.95 134.86 13.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.451 0.537 . . . . 75.230000000000004 112.451 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.601 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 28.4 mt-10 -113.79 145.28 41.64 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.004 -0.543 . . . . 75.239999999999995 109.986 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.493 ' HA ' HD22 ' A' ' 65' ' ' LEU . 33.8 tt0 -97.02 134.34 40.51 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.793 -0.567 . . . . 62.539999999999999 112.272 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 m -147.37 170.67 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 116.048 -0.524 . . . . 75.400000000000006 111.309 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.44 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 63.3 mttp -111.76 164.62 12.86 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.398 -0.364 . . . . 60.100000000000001 110.641 173.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.61 -21.13 66.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.232 -0.587 . . . . 73.319999999999993 109.688 172.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.69 -14.03 61.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.097 -0.501 . . . . 74.239999999999995 111.074 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' HG3' ' HB2' ' A' ' 82' ' ' LYS . 30.5 mt-10 -108.61 8.32 27.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.859 0.362 . . . . 74.109999999999999 111.494 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.4 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 mt -106.53 127.41 28.23 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.428 -0.351 . . . . 74.420000000000002 111.207 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.4 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 34.9 Cg_exo -61.01 130.32 32.21 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.797 2.331 . . . . 43.340000000000003 113.1 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.85 -34.28 67.62 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.06 0.392 . . . . 71.099999999999994 112.06 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -56.96 -44.27 82.42 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.042 0.449 . . . . 74.540000000000006 111.087 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.55 -37.76 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.193 0.521 . . . . 72.340000000000003 110.634 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.54 -37.24 77.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.948 -0.569 . . . . 73.209999999999994 111.114 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -84.36 -25.99 28.76 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.727 0.299 . . . . 75.349999999999994 111.635 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -62.32 -37.87 87.28 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.189 0.518 . . . . 62.130000000000003 110.995 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.76 92.63 0.89 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.129 -0.487 . . . . 64.329999999999998 109.977 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.1 42.84 1.35 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.05 -0.595 . . . . 73.140000000000001 113.396 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.0 m -73.73 171.07 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 O-C-N 122.446 -0.443 . . . . 65.329999999999998 111.505 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -128.06 138.44 52.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.636 -0.256 . . . . 74.430000000000007 111.55 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.403 ' HG ' ' H ' ' A' ' 100' ' ' HIS . 40.6 tp 67.56 153.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.287 0.565 . . . . 74.230000000000004 112.038 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.61 -32.95 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.828 0.347 . . . . 38.259999999999998 111.859 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.403 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 48.6 t60 62.12 9.25 3.03 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 112.875 0.694 . . . . 61.310000000000002 112.875 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -66.67 125.0 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 122.17 -0.331 . . . . 75.019999999999996 111.064 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -140.63 -175.74 4.39 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.171 0.51 . . . . 72.319999999999993 112.052 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.58 112.84 13.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.303 -0.408 . . . . 74.230000000000004 111.017 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -108.72 167.01 10.38 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.807 0.337 . . . . 73.019999999999996 110.981 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.8 p80 . . . . . 0 C--O 1.253 1.262 0 CA-C-N 116.52 -0.309 . . . . 53.450000000000003 110.621 173.037 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 112.014 0.376 . . . . 74.239999999999995 112.014 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.12 75.57 2.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.371 0.605 . . . . 75.200000000000003 111.478 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.05 -5.09 24.26 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.599 0.592 . . . . 75.420000000000002 112.599 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -61.53 -65.93 0.62 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.069 0.396 . . . . 71.420000000000002 112.069 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -93.75 2.31 56.29 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.299 0.481 . . . . 75.420000000000002 112.299 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.4 mtp -94.35 -44.48 7.9 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.916 0.389 . . . . 74.519999999999996 110.812 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.61 -149.04 51.52 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 116.085 -0.507 . . . . 70.329999999999998 113.649 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 164.76 29.33 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 60.0 110.574 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.726 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 13.3 m-20 -95.5 134.96 37.75 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.358 0.503 . . . . 72.409999999999997 112.358 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -140.67 132.84 28.05 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.382 -0.599 . . . . 74.0 109.382 165.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -120.23 133.96 55.37 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.966 0.413 . . . . 73.420000000000002 111.588 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -85.49 100.69 12.07 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.267 -0.424 . . . . 63.43 110.505 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.515 HG13 ' HA2' ' A' ' 41' ' ' GLY . 23.1 m -112.0 167.97 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.327 0.584 . . . . 71.530000000000001 112.166 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -112.45 158.06 20.32 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.822 -0.626 . . . . 74.129999999999995 110.571 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.3 mm -70.86 84.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.294 0.569 . . . . 64.120000000000005 110.668 179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.9 p -71.9 -58.27 3.6 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.816 -0.629 . . . . 72.019999999999996 111.832 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.35 106.25 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-O 121.369 0.604 . . . . 73.340000000000003 111.595 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.52 149.07 25.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.102 -0.499 . . . . 72.349999999999994 111.194 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.04 9.53 66.85 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.057 -0.592 . . . . 72.319999999999993 114.28 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.484 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 12.2 tmtt? -77.42 84.92 3.83 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 117.337 0.569 . . . . 73.230000000000004 109.912 -177.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -84.0 150.91 25.32 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.833 0.679 . . . . 74.230000000000004 112.833 -172.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 m -122.0 97.49 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 121.577 0.703 . . . . 65.310000000000002 111.483 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.634 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 85.9 t60 -108.32 78.19 1.15 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.676 -0.693 . . . . 71.200000000000003 110.973 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -150.24 71.97 1.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.937 0.399 . . . . 72.430000000000007 110.789 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' HZ1' ' HB2' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -178.64 41.58 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.049 -0.523 . . . . 73.129999999999995 110.651 -177.883 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.05 51.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.531 0.567 . . . . 63.25 112.531 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 60.58 -82.35 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.787 0.435 . . . . 54.32 111.818 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.27 -14.04 14.77 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.045 0.45 . . . . 54.450000000000003 111.34 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 146.56 24.37 0.1 OUTLIER Glycine 0 CA--C 1.528 0.882 0 C-N-CA 121.137 -0.554 . . . . 38.219999999999999 113.739 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -81.88 92.84 6.77 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.595 0.712 . . . . 72.150000000000006 110.066 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.487 ' HA ' ' HE1' ' A' ' 23' ' ' HIS . 93.6 mttt -88.19 38.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.459 -0.791 . . . . 72.129999999999995 113.042 -167.506 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -76.19 163.93 26.58 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.911 0.386 . . . . 74.0 111.616 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.634 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 30.3 mtmt -147.36 117.89 7.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.072 0.397 . . . . 63.310000000000002 112.072 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -103.37 178.33 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.139 -0.482 . . . . 74.340000000000003 110.438 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.472 ' O ' ' HA ' ' A' ' 54' ' ' THR . 90.5 m-85 -115.4 150.13 36.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.68 0.276 . . . . 75.510000000000005 110.994 175.897 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.484 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 38.0 tt0 -119.77 106.86 12.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.052 0.453 . . . . 61.219999999999999 111.4 -172.515 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -90.8 89.41 7.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.545 0.688 . . . . 75.329999999999998 111.465 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.27 92.72 8.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.183 -0.917 . . . . 74.25 109.757 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.513 HD13 HG23 ' A' ' 13' ' ' VAL . 26.0 mt -114.61 166.69 11.45 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.938 0.718 . . . . 72.420000000000002 112.938 -168.511 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -116.44 110.89 19.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.904 -0.589 . . . . 73.310000000000002 110.275 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.515 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -92.44 137.64 13.8 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.096 -0.573 . . . . 74.129999999999995 112.865 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.473 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 67.1 m-85 -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 74.120000000000005 110.845 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.51 169.49 10.82 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.524 -0.762 . . . . 72.239999999999995 112.482 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.691 ' HD3' ' H ' ' A' ' 44' ' ' LYS . 2.4 mppt? -59.17 -25.18 63.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.01 -0.541 . . . . 65.450000000000003 111.591 -178.496 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.31 -10.99 36.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.964 0.357 . . . . 60.140000000000001 111.964 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.82 6.95 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.321 -0.466 . . . . 44.399999999999999 113.28 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.473 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 89.0 mttt -96.08 178.33 5.44 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 122.643 -0.327 . . . . 55.329999999999998 111.17 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -102.11 122.82 44.87 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.783 0.325 . . . . 63.229999999999997 110.896 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.581 ' HD3' ' N ' ' A' ' 50' ' ' GLU . 5.7 tmtm? -124.67 140.8 52.6 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.915 0.388 . . . . 63.509999999999998 110.098 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.581 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -84.4 121.66 27.86 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.831 0.348 . . . . 73.430000000000007 111.817 -176.7 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -123.53 142.88 50.58 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.843 0.354 . . . . 65.340000000000003 110.997 176.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -156.51 125.91 6.17 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.779 0.323 . . . . 74.109999999999999 111.223 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -147.4 146.58 29.65 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.228 0.537 . . . . 65.019999999999996 111.678 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.472 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 71.5 p -93.65 117.23 29.81 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.026 -0.534 . . . . 75.209999999999994 111.513 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 137.93 35.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.923 0.392 . . . . 70.109999999999999 111.541 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 56' ' ' GLN . 7.9 pm0 -69.81 -21.49 63.39 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.215 0.531 . . . . 75.340000000000003 111.185 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.27 143.15 51.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.818 -0.628 . . . . 63.439999999999998 110.727 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -77.78 109.22 11.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.88 0.372 . . . . 63.409999999999997 110.254 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.82 168.62 11.19 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.224 0.535 . . . . 74.329999999999998 112.006 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -75.22 132.06 40.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.538 0.685 . . . . 71.409999999999997 112.47 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 44.2 pttt -78.03 156.36 30.15 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.52 -0.764 . . . . 73.230000000000004 112.609 -177.508 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 39.5 tt0 73.52 3.51 4.57 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.891 0.877 . . . . 73.219999999999999 111.851 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.94 24.19 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.909 -0.494 . . . . 71.310000000000002 111.544 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.549 ' HE1' ' HB3' ' A' ' 83' ' ' LYS . 79.1 m-85 -85.13 107.95 17.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.342 0.592 . . . . 74.109999999999999 110.752 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.701 HD22 ' HB2' ' A' ' 78' ' ' TRP . 1.3 tt -90.38 115.79 27.83 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.864 -0.607 . . . . 71.409999999999997 111.148 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -81.65 97.13 7.74 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.796 0.332 . . . . 75.209999999999994 110.359 173.42 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -90.24 129.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.563 0.697 . . . . 64.310000000000002 111.862 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.414 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 68.8 t80 -94.04 122.9 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.196 -0.911 . . . . 74.329999999999998 111.587 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.726 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 52.1 t-80 -114.91 143.12 45.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.386 0.612 . . . . 75.400000000000006 111.788 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.474 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 73.0 m -138.42 152.35 48.29 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.282 -0.417 . . . . 61.200000000000003 111.046 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.71 -70.95 0.1 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.035 0.754 . . . . 71.450000000000003 113.035 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -88.12 24.05 1.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.334 0.494 . . . . 73.299999999999997 112.334 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.474 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.5 OUTLIER -138.94 -16.65 1.1 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.937 0.347 . . . . 64.310000000000002 111.937 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.482 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 65.23 -82.54 0.07 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.98 -0.628 . . . . 75.519999999999996 112.398 -175.768 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.68 144.09 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.975 0.388 . . . . 65.049999999999997 110.691 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.414 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 43.9 t -133.58 -39.31 0.9 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.175 0.435 . . . . 63.520000000000003 112.175 -178.446 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.6 170.14 18.76 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.719 0.295 . . . . 62.210000000000001 111.719 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.701 ' HB2' HD22 ' A' ' 65' ' ' LEU . 27.5 p-90 -159.85 142.65 13.75 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.288 0.566 . . . . 74.409999999999997 112.47 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -129.42 149.88 51.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.051 -0.522 . . . . 72.209999999999994 110.753 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -115.14 117.77 31.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 122.138 -0.351 . . . . 74.510000000000005 111.819 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.36 168.64 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 120.811 0.339 . . . . 72.340000000000003 111.013 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -110.3 161.87 15.19 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.022 -0.424 . . . . 72.409999999999997 111.445 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.549 ' HB3' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -56.07 -26.27 48.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.322 0.86 . . . . 74.329999999999998 113.322 -176.143 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.537 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 28.4 t70 -61.7 -29.62 70.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.056 0.455 . . . . 73.099999999999994 112.066 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.23 2.73 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.574 0.583 . . . . 64.219999999999999 112.574 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.6 mt -106.1 141.64 23.16 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 112.126 0.417 . . . . 71.430000000000007 112.126 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.3 163.84 37.44 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.678 2.252 . . . . 75.019999999999996 112.863 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.78 -57.96 3.57 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.025 0.75 . . . . 75.510000000000005 113.025 -173.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -51.18 -32.97 25.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.817 1.043 . . . . 62.310000000000002 113.817 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.39 -45.22 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 120.97 0.414 . . . . 74.209999999999994 111.643 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -84.14 -8.81 58.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.015 0.436 . . . . 72.319999999999993 111.178 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.23 -5.96 36.05 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.353 0.597 . . . . 72.409999999999997 111.122 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -110.06 -32.8 6.88 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.207 -0.451 . . . . 74.310000000000002 111.709 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.418 ' N ' HD11 ' A' ' 94' ' ' LEU . 6.8 mp -93.92 124.48 37.95 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.927 0.394 . . . . 75.219999999999999 111.411 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.76 55.39 8.37 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.146 -0.55 . . . . 51.140000000000001 113.023 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.7 t -107.75 141.73 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.333 0.587 . . . . 74.519999999999996 112.211 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -159.51 -39.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.253 -0.885 . . . . 73.209999999999994 110.198 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.64 104.14 9.05 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.152 -0.476 . . . . 73.439999999999998 110.9 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 37.7 tt0 -56.87 -23.74 46.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.98 0.733 . . . . 73.299999999999997 112.98 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 68.0 m80 66.08 -157.94 0.26 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.811 -0.44 . . . . 70.450000000000003 109.811 -169.676 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -123.42 136.59 54.69 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.896 -0.503 . . . . 72.040000000000006 110.69 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.1 84.83 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.247 0.546 . . . . 70.319999999999993 111.34 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -166.33 123.7 1.37 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.879 -0.6 . . . . 64.430000000000007 111.111 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -91.78 144.8 25.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.624 0.249 . . . . 74.25 110.687 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.887 -0.578 . . . . 72.099999999999994 111.142 177.857 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.588 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.084 0.469 . . . . 72.030000000000001 111.024 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -93.07 116.34 28.95 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.14 0.495 . . . . 74.129999999999995 112.08 -173.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.7 pt? -97.84 0.93 47.61 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.335 -0.393 . . . . 52.049999999999997 111.787 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -98.46 -65.13 0.98 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 122.269 -0.269 . . . . 72.239999999999995 111.515 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -93.73 82.27 4.31 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.282 0.563 . . . . 62.130000000000003 110.328 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -119.27 165.07 14.72 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.769 -0.651 . . . . 72.140000000000001 112.34 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 -143.33 46.13 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 115.824 -0.626 . . . . 52.420000000000002 114.393 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.552 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER 66.07 -176.48 0.19 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.318 0.647 . . . . 74.040000000000006 111.92 -177.87 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.79 121.32 36.96 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.397 0.888 . . . . 75.409999999999997 113.397 -169.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -97.31 114.67 26.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.037 -0.529 . . . . 60.210000000000001 110.024 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.24 121.31 34.47 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.044 0.449 . . . . 74.129999999999995 111.396 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -85.31 99.88 11.44 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.985 -0.552 . . . . 75.239999999999995 110.879 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.58 HG23 HD11 ' A' ' 39' ' ' LEU . 30.7 m -128.12 152.13 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.93 -0.577 . . . . 74.510000000000005 111.111 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.546 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.9 pt20 -95.55 139.96 31.08 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.875 0.369 . . . . 73.230000000000004 110.894 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.438 HD13 HD12 ' A' ' 65' ' ' LEU . 46.2 mm -76.15 114.96 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.971 0.415 . . . . 74.120000000000005 111.365 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -102.42 -66.61 0.92 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.291 -0.413 . . . . 75.239999999999995 111.583 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.81 130.7 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.523 0.678 . . . . 74.430000000000007 112.802 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.31 -174.86 3.51 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.621 -0.718 . . . . 75.329999999999998 111.174 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.2 70.14 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.251 0.86 . . . . 63.140000000000001 115.251 173.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 25.5 mmtp -69.6 94.75 0.8 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.523 0.661 . . . . 73.129999999999995 111.722 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.67 107.28 12.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.133 -0.354 . . . . 60.32 111.748 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.424 HG21 ' O ' ' A' ' 34' ' ' ASP . 31.3 m -92.85 58.89 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.618 0.723 . . . . 73.430000000000007 111.385 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.08 37.67 1.4 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.854 -0.612 . . . . 75.219999999999999 110.92 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -50.66 -34.53 26.77 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.078 1.14 . . . . 75.540000000000006 114.078 -170.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -108.42 22.05 16.46 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.996 -0.44 . . . . 63.439999999999998 111.739 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.525 ' HB3' ' HA ' ' A' ' 31' ' ' LYS . . . -70.71 -24.45 62.65 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.727 0.64 . . . . 72.049999999999997 112.727 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.63 -16.95 43.93 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.767 0.655 . . . . 70.129999999999995 112.767 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -77.0 -6.79 54.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.205 0.446 . . . . 73.400000000000006 112.205 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.15 -41.81 1.42 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.106 -0.569 . . . . 73.439999999999998 113.889 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -90.47 111.55 22.86 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.329 -0.512 . . . . 64.439999999999998 111.21 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.525 ' HA ' ' HB3' ' A' ' 26' ' ' ALA . 93.9 mttt -90.78 77.19 6.3 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.343 0.592 . . . . 74.540000000000006 111.606 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -79.65 129.54 34.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.914 -0.585 . . . . 73.209999999999994 111.105 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -118.63 103.61 9.86 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.872 0.693 . . . . 72.200000000000003 112.872 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.424 ' O ' HG21 ' A' ' 22' ' ' VAL . 6.4 m-20 -109.85 128.07 55.09 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.041 -0.527 . . . . 64.420000000000002 109.949 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.452 ' O ' ' HA ' ' A' ' 54' ' ' THR . 54.9 m-85 -89.29 114.73 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.772 0.286 . . . . 75.420000000000002 111.772 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.405 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 20.9 tt0 -78.78 139.7 38.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.949 0.404 . . . . 73.530000000000001 111.282 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 93.8 m-85 -118.87 110.03 16.71 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.009 0.433 . . . . 73.409999999999997 110.402 174.091 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -96.57 113.05 24.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.956 -0.565 . . . . 70.219999999999999 111.292 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.58 HD11 HG23 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -152.12 167.82 27.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.99 0.424 . . . . 73.25 111.817 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.8 m -116.3 120.92 40.44 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.965 0.358 . . . . 75.329999999999998 111.965 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.09 147.1 18.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.401 -0.428 . . . . 70.310000000000002 112.408 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.454 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 96.6 m-85 -113.03 106.9 15.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 75.299999999999997 112.057 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.651 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 21.5 t70 -81.28 137.53 35.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.02 -0.536 . . . . 71.0 110.387 177.487 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 20.6 ttmm 60.96 14.98 5.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.944 0.402 . . . . 73.219999999999999 110.925 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.2 5.51 4.71 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 121.191 0.52 . . . . 73.5 111.818 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.25 -42.53 0.18 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.208 -0.52 . . . . 41.149999999999999 113.455 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.651 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.4 mmtt -71.2 135.21 47.43 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.546 -0.385 . . . . 74.150000000000006 111.393 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.28 142.56 29.02 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.788 0.327 . . . . 74.140000000000001 111.025 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.706 ' HE3' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -144.16 130.02 19.35 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.058 0.456 . . . . 75.239999999999995 111.066 176.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.706 ' H ' ' HE3' ' A' ' 49' ' ' LYS . 4.2 mp0 -71.31 115.81 10.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.948 -0.569 . . . . 72.010000000000005 111.099 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.2 mp -113.55 117.97 33.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.052 0.453 . . . . 73.319999999999993 111.344 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -130.55 115.01 16.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.091 0.472 . . . . 75.299999999999997 110.964 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -127.13 160.87 29.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.169 -0.469 . . . . 74.299999999999997 111.026 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.452 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 70.2 p -115.86 145.72 42.62 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.544 0.572 . . . . 61.539999999999999 112.544 -176.66 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -133.99 163.26 29.93 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.007 -0.542 . . . . 40.329999999999998 111.055 176.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 -8.09 49.55 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.938 0.348 . . . . 65.120000000000005 111.938 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.31 169.77 17.6 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.406 -0.361 . . . . 74.010000000000005 111.265 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -73.33 143.54 46.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.947 0.403 . . . . 71.319999999999993 110.458 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.7 mt -105.91 -80.17 0.56 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.891 0.377 . . . . 74.219999999999999 111.425 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -151.88 173.93 14.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.229 -0.441 . . . . 74.549999999999997 111.087 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.49 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 29.5 mtpp -139.91 138.21 35.46 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.332 -0.618 . . . . 74.129999999999995 109.332 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.49 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 39.2 tt0 74.46 -36.29 0.32 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.693 0.397 . . . . 74.230000000000004 112.053 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.21 156.77 38.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.881 0.372 . . . . 64.25 111.662 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.546 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 94.6 m-85 -89.88 166.8 13.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.45 0.643 . . . . 73.329999999999998 111.888 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.656 HD23 ' HB2' ' A' ' 78' ' ' TRP . 3.9 tt -154.87 126.71 7.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.002 -0.544 . . . . 64.230000000000004 110.361 -176.544 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -80.47 96.35 6.73 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.467 -0.333 . . . . 72.420000000000002 110.526 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.1 t -88.22 121.11 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.607 0.717 . . . . 73.540000000000006 111.819 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -79.2 106.44 11.24 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.97 -1.014 . . . . 63.310000000000002 111.283 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.94 114.42 21.21 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.037 -0.529 . . . . 73.319999999999993 111.812 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.03 173.64 4.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.184 -0.462 . . . . 65.219999999999999 110.485 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -50.83 -42.43 58.43 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.03 0.382 . . . . 65.040000000000006 112.03 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -110.83 -72.21 0.73 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.136 0.494 . . . . 64.439999999999998 112.147 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -156.73 -156.04 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.222 -0.445 . . . . 74.120000000000005 111.179 -172.606 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.38 3.17 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.43 0.532 . . . . 64.120000000000005 114.43 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.6 t 72.48 114.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.422 0.63 . . . . 73.109999999999999 111.816 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.4 t -86.32 -28.73 23.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.491 0.552 . . . . 38.530000000000001 112.491 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.3 166.96 30.18 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.335 0.494 . . . . 72.540000000000006 112.335 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.656 ' HB2' HD23 ' A' ' 65' ' ' LEU . 43.3 p-90 -162.29 140.93 9.06 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.221 -0.445 . . . . 74.129999999999995 111.615 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.75 144.06 50.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.57 0.348 . . . . 71.439999999999998 111.22 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -98.72 131.5 44.83 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.043 0.449 . . . . 73.519999999999996 111.762 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -146.72 134.03 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 121.112 0.482 . . . . 73.340000000000003 111.97 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -92.57 159.17 15.61 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.848 -0.533 . . . . 74.049999999999997 110.802 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -18.12 60.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 75.140000000000001 111.019 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.81 -38.39 79.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.884 -0.598 . . . . 65.209999999999994 110.765 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.4 -34.41 54.82 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.745 -0.661 . . . . 73.120000000000005 111.137 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -70.51 147.88 95.03 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.9 -0.591 . . . . 63.100000000000001 111.804 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.412 ' HG2' HG22 ' A' ' 90' ' ' VAL . 37.9 Cg_endo -65.97 147.6 84.85 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.492 2.128 . . . . 64.5 113.095 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.19 -28.82 43.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.331 -0.395 . . . . 73.430000000000007 111.911 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -50.34 -38.59 42.75 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.15 0.426 . . . . 61.240000000000002 112.15 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.412 HG22 ' HG2' ' A' ' 87' ' ' PRO . 60.0 t -69.41 -55.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.069 0.461 . . . . 52.450000000000003 111.462 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -71.08 -13.78 62.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.816 0.341 . . . . 71.319999999999993 111.617 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.09 -16.6 64.09 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.365 0.603 . . . . 72.200000000000003 110.498 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -100.58 -51.91 3.48 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.198 -0.455 . . . . 64.299999999999997 110.443 172.601 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.95 101.21 10.99 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.807 0.336 . . . . 71.409999999999997 111.709 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.83 52.72 1.75 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 114.641 0.616 . . . . 64.450000000000003 114.641 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.72 115.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 122.275 -0.544 . . . . 75.439999999999998 111.279 174.701 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.412 ' C ' ' H ' ' A' ' 99' ' ' GLU . 52.6 mtpt -110.98 166.09 11.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.985 0.421 . . . . 75.209999999999994 111.836 -178.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -72.01 27.91 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.669 0.618 . . . . 73.329999999999998 112.669 177.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.412 ' H ' ' C ' ' A' ' 97' ' ' LYS . 11.4 pt-20 -82.36 4.28 24.57 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.17 0.804 . . . . 70.209999999999994 113.17 -172.689 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -68.9 110.27 4.32 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.839 0.352 . . . . 74.239999999999995 110.584 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -111.51 156.23 22.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.975 0.417 . . . . 73.519999999999996 112.101 -174.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -144.91 152.54 40.39 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.884 0.373 . . . . 63.009999999999998 111.387 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -124.87 138.57 54.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.656 0.382 . . . . 71.530000000000001 110.831 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 65.78 177.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 110.673 -0.121 . . . . 53.530000000000001 110.673 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--O 1.251 1.155 0 O-C-N 121.061 -1.024 . . . . 74.030000000000001 111.212 175.028 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.687 0.28 . . . . 71.120000000000005 111.067 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.14 77.86 1.77 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.013 0.435 . . . . 73.430000000000007 111.777 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.57 -34.9 5.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.018 0.437 . . . . 74.109999999999999 111.547 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -78.05 11.55 2.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.912 0.708 . . . . 65.209999999999994 112.912 -173.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -123.1 11.79 9.53 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.801 0.334 . . . . 71.420000000000002 111.753 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 mmt -74.79 162.65 28.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.032 0.444 . . . . 75.25 111.469 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.88 11.0 1.12 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.183 -0.532 . . . . 74.409999999999997 113.202 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -87.45 110.67 20.46 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.463 -0.569 . . . . 71.140000000000001 109.463 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -79.61 174.58 11.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.418 0.896 . . . . 71.430000000000007 113.418 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.4 161.4 22.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.159 -0.928 . . . . 74.319999999999993 111.191 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -140.88 120.95 13.72 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.516 -0.311 . . . . 73.439999999999998 111.13 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.26 100.37 5.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.406 0.622 . . . . 73.109999999999999 110.704 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.495 HG12 HD13 ' A' ' 39' ' ' LEU . 12.2 m -90.94 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.467 -0.788 . . . . 61.399999999999999 110.818 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -129.37 127.03 40.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.911 -0.586 . . . . 74.340000000000003 109.697 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.4 HD12 HD12 ' A' ' 65' ' ' LEU . 44.4 mm -63.97 89.93 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.216 0.532 . . . . 63.530000000000001 111.693 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.0 p -80.32 -63.97 1.29 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.595 -0.729 . . . . 74.319999999999993 111.308 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.62 122.71 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.343 0.592 . . . . 72.230000000000004 111.674 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -130.29 163.01 27.71 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.227 -0.442 . . . . 75.340000000000003 111.04 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.58 50.28 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.98 -0.629 . . . . 39.030000000000001 114.045 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.662 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 1.4 tmtp? -77.37 111.46 13.07 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.475 -0.426 . . . . 62.32 110.493 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.63 147.12 23.51 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.177 0.513 . . . . 73.219999999999999 111.895 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.36 106.99 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.78 0.8 . . . . 72.299999999999997 111.464 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -70.41 43.27 0.06 Allowed 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 115.143 -0.935 . . . . 73.209999999999994 111.204 173.504 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -86.06 -3.71 59.01 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.532 0.568 . . . . 62.530000000000001 112.532 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -134.61 80.41 1.85 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.685 0.755 . . . . 72.25 111.143 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -130.09 76.01 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.145 -0.934 . . . . 65.340000000000003 110.047 168.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.29 -61.91 2.13 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.191 -0.459 . . . . 71.430000000000007 111.88 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -153.79 79.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.363 0.601 . . . . 72.019999999999996 110.25 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.78 60.1 0.07 OUTLIER Glycine 0 CA--C 1.523 0.552 0 CA-C-N 115.588 -0.733 . . . . 64.400000000000006 112.221 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -42.21 100.21 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.608 0.718 . . . . 75.420000000000002 112.452 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -142.15 2.84 1.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.707 -0.679 . . . . 73.109999999999999 111.582 -174.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -151.88 141.99 22.24 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.092 0.404 . . . . 72.420000000000002 112.092 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.672 ' HZ3' ' HB2' ' A' ' 33' ' ' LYS . 10.2 mtmp? -138.67 147.25 42.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.923 0.489 . . . . 74.239999999999995 111.085 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.05 171.72 7.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.125 0.488 . . . . 70.400000000000006 111.229 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -110.5 148.62 31.73 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.232 -0.44 . . . . 75.420000000000002 110.017 172.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.662 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 40.0 tt0 -129.67 146.58 51.44 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.384 0.513 . . . . 71.439999999999998 112.384 -172.545 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -129.57 109.8 11.31 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.076 -0.511 . . . . 72.340000000000003 111.949 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -103.1 107.43 18.24 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.416 -0.587 . . . . 72.200000000000003 109.416 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.495 HD13 HG12 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -143.66 152.03 40.83 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.187 0.81 . . . . 73.019999999999996 113.187 -170.321 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.443 ' OG1' ' HG2' ' A' ' 50' ' ' GLU . 83.2 m -100.85 133.01 45.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.716 -0.674 . . . . 72.329999999999998 111.414 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.46 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -113.61 145.37 18.38 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.246 -0.502 . . . . 61.039999999999999 113.201 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.99 124.59 47.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.33 0.252 . . . . 70.120000000000005 111.083 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -155.38 -178.34 7.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.838 0.351 . . . . 74.510000000000005 110.881 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? 70.68 -79.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.499 0.719 . . . . 73.530000000000001 111.316 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -159.24 69.5 0.45 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.45 0.643 . . . . 61.030000000000001 110.605 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.16 39.19 96.91 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.706 -0.679 . . . . 75.120000000000005 112.529 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -111.8 129.76 56.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.499 0.319 . . . . 75.549999999999997 110.533 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.82 157.16 17.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.633 0.73 . . . . 72.209999999999994 112.267 -175.497 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -157.28 131.42 8.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 71.030000000000001 110.485 172.317 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.443 ' HG2' ' OG1' ' A' ' 40' ' ' THR . 44.2 mt-10 -90.55 114.32 26.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.72 0.295 . . . . 75.230000000000004 111.357 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -102.66 153.15 20.4 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.086 0.469 . . . . 63.329999999999998 111.364 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.59 124.38 35.75 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.535 . . . . 64.420000000000002 111.029 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.28 159.55 44.28 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.968 0.413 . . . . 71.400000000000006 111.336 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.1 p -115.06 151.06 34.93 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.019 0.438 . . . . 70.5 111.405 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.36 156.32 46.85 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.994 0.426 . . . . 62.329999999999998 111.693 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.98 -33.93 76.95 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.163 -0.472 . . . . 74.450000000000003 111.696 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -138.35 172.95 12.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.001 -0.545 . . . . 71.409999999999997 111.265 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -79.06 106.7 11.28 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.585 -0.524 . . . . 75.120000000000005 109.585 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.94 -80.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.58 0.585 . . . . 74.430000000000007 112.58 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -177.09 115.67 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.866 0.365 . . . . 72.409999999999997 110.584 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -74.92 158.3 33.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.282 0.845 . . . . 70.030000000000001 113.282 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 70.82 0.51 3.37 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.732 1.012 . . . . 71.219999999999999 113.732 172.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.29 172.66 7.02 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.982 0.42 . . . . 63.130000000000003 111.698 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -93.06 159.62 15.22 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.091 0.472 . . . . 74.439999999999998 110.859 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.859 HD23 ' HB2' ' A' ' 78' ' ' TRP . 6.6 tt -156.79 125.77 5.94 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.003 0.43 . . . . 73.439999999999998 111.072 -175.159 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -80.75 105.98 12.4 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.79 0.329 . . . . 74.430000000000007 111.064 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -92.5 129.25 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 71.430000000000007 110.84 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.427 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 17.8 t80 -89.27 111.53 22.37 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.84 -0.618 . . . . 75.329999999999998 111.302 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.509 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 50.9 t-80 -99.16 121.35 40.9 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.599 0.592 . . . . 71.319999999999993 112.599 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -110.26 165.79 11.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.097 -0.501 . . . . 73.109999999999999 111.318 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.3 -72.61 0.07 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.039 0.755 . . . . 74.430000000000007 113.039 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -95.81 -28.47 14.72 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.04 -0.412 . . . . 75.409999999999997 112.023 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.49 -23.59 62.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.1 0.476 . . . . 74.439999999999998 111.928 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.509 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.28 -70.85 2.34 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.846 -0.692 . . . . 62.109999999999999 112.458 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.427 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 82.1 t -129.81 118.15 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.185 0.517 . . . . 55.409999999999997 112.043 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 m -88.26 -40.02 13.97 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.086 -0.507 . . . . 71.030000000000001 111.61 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.38 -179.99 7.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.307 -0.406 . . . . 62.009999999999998 110.902 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.859 ' HB2' HD23 ' A' ' 65' ' ' LEU . 37.8 p-90 -155.38 145.12 21.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.943 0.401 . . . . 74.430000000000007 111.984 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -125.06 139.69 53.56 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.269 -0.423 . . . . 75.299999999999997 110.768 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -99.22 128.79 45.4 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.775 0.322 . . . . 71.310000000000002 110.647 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.1 141.7 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 121.395 0.617 . . . . 75.510000000000005 112.317 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.26 160.58 28.78 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.238 0.542 . . . . 72.519999999999996 111.58 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.422 ' HE3' ' HB3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -58.56 -41.87 86.65 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.886 -0.597 . . . . 74.519999999999996 110.7 176.769 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.55 -18.05 65.15 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.366 0.506 . . . . 74.120000000000005 112.366 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.67 -7.81 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.663 0.268 . . . . 71.510000000000005 111.59 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -101.75 140.07 20.9 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.836 -0.166 . . . . 62.219999999999999 111.12 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.44 ' O ' HG22 ' A' ' 90' ' ' VAL . 42.9 Cg_endo -66.93 144.81 71.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.425 2.083 . . . . 72.340000000000003 112.548 178.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.64 -24.93 3.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.188 0.811 . . . . 74.510000000000005 113.188 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.438 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 7.9 mptt -57.14 -26.79 61.12 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.383 0.512 . . . . 75.129999999999995 112.383 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 87' ' ' PRO . 18.7 m -68.93 -27.39 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 120.97 0.414 . . . . 73.109999999999999 111.089 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -94.65 -37.05 11.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.192 -0.458 . . . . 75.310000000000002 111.357 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.15 -21.13 66.0 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.067 0.395 . . . . 74.420000000000002 112.067 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -105.38 -12.37 16.06 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.185 0.439 . . . . 71.430000000000007 112.185 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.62 119.85 23.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.151 0.5 . . . . 74.340000000000003 111.974 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.6 8.63 30.19 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.296 -0.478 . . . . 75.230000000000004 113.53 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.43 127.13 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 O-C-N 122.483 -0.422 . . . . 74.0 110.651 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.598 ' O ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -112.17 122.69 48.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.809 0.337 . . . . 64.439999999999998 111.563 -176.865 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.547 ' HG ' ' H ' ' A' ' 99' ' ' GLU . 24.7 tp 54.76 -178.78 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.357 -0.383 . . . . 71.209999999999994 111.081 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.547 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 33.9 tt0 54.54 77.97 0.18 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.634 0.605 . . . . 44.32 112.634 170.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.28 104.14 14.06 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.855 -0.424 . . . . 71.299999999999997 109.855 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -57.53 113.25 1.71 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.009 0.744 . . . . 53.25 113.009 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -76.65 88.8 3.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.092 -0.504 . . . . 61.310000000000002 111.779 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -79.63 100.42 7.82 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.6 -0.519 . . . . 74.109999999999999 109.6 171.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.86 175.63 7.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.245 0.545 . . . . 74.319999999999993 112.27 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.575 -0.739 . . . . 75.310000000000002 110.42 174.1 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.628 0.251 . . . . 74.230000000000004 111.628 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -137.47 132.04 32.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.776 0.322 . . . . 72.200000000000003 111.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.448 ' H ' HD22 ' A' ' 3' ' ' LEU . 1.2 pt? -115.18 -12.15 11.92 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.931 0.396 . . . . 55.009999999999998 111.263 175.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.417 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 42.5 m-80 -84.0 -46.41 12.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.054 0.761 . . . . 73.040000000000006 113.054 -172.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . 0.531 ' HD2' ' N ' ' A' ' 5' ' ' ARG . 5.3 mpt_? -92.77 -77.83 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.817 -0.552 . . . . 70.540000000000006 111.512 -176.954 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.422 ' HE1' ' HA ' ' A' ' 3' ' ' LEU . 69.2 mtm 38.36 -87.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.668 1.358 . . . . 75.439999999999998 114.668 -177.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 -2.48 55.79 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 115.092 0.797 . . . . 74.400000000000006 115.092 -168.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 127.25 34.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.753 0.777 . . . . 75.129999999999995 111.512 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.53 165.11 15.08 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.945 -0.57 . . . . 72.549999999999997 112.13 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.745 ' HG3' ' HD3' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -100.61 126.92 47.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.227 0.537 . . . . 73.120000000000005 110.572 172.363 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . 0.428 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 1.7 m-85 -93.33 135.88 34.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.797 0.332 . . . . 74.340000000000003 111.686 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.588 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 92.2 m-85 -84.17 109.68 17.93 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.582 -0.281 . . . . 75.310000000000002 110.895 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.433 HG13 ' HA2' ' A' ' 41' ' ' GLY . 16.6 m -116.74 142.19 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.267 0.556 . . . . 73.209999999999994 111.679 178.01 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -106.38 127.84 53.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.601 -0.727 . . . . 70.409999999999997 110.542 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.621 HD12 HD13 ' A' ' 65' ' ' LEU . 49.2 mm -67.64 110.01 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.347 0.499 . . . . 72.340000000000003 112.347 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -111.42 -66.64 1.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.873 -0.603 . . . . 63.219999999999999 111.591 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -90.58 124.77 43.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.227 0.537 . . . . 72.420000000000002 112.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -131.97 179.35 6.14 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.077 0.465 . . . . 72.129999999999995 112.024 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.58 8.34 62.95 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 115.113 0.805 . . . . 61.140000000000001 115.113 170.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -83.02 94.51 7.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.866 0.833 . . . . 63.020000000000003 111.302 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.18 131.51 39.39 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.266 0.555 . . . . 75.010000000000005 112.056 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.459 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.3 m -86.56 81.14 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.981 0.896 . . . . 64.200000000000003 110.802 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -112.08 26.21 10.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.401 -0.818 . . . . 74.510000000000005 110.831 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -48.78 -58.29 5.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.061 0.763 . . . . 51.43 113.061 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -176.74 77.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.256 0.465 . . . . 74.439999999999998 112.256 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 39.0 50.69 1.79 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.954 0.502 . . . . 44.450000000000003 112.254 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.64 -2.83 0.58 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.74 1.385 . . . . 72.319999999999993 114.74 -168.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -142.9 11.54 1.82 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.755 -0.59 . . . . 75.310000000000002 111.665 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.55 -42.27 1.8 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.318 -0.468 . . . . 54.240000000000002 113.448 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -112.45 158.4 19.91 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.58 -0.365 . . . . 74.340000000000003 111.041 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 61.75 5.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.72 0.771 . . . . 64.209999999999994 112.693 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -84.33 163.52 19.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.742 -0.663 . . . . 75.519999999999996 110.649 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -143.68 113.57 7.18 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.277 0.473 . . . . 73.540000000000006 112.277 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' HG21 ' A' ' 22' ' ' VAL . 77.3 m-20 -102.26 139.89 37.26 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 110.188 -0.301 . . . . 45.409999999999997 110.188 169.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -82.47 109.63 16.86 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.234 0.54 . . . . 71.420000000000002 110.809 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 13.2 tt0 -83.69 132.01 34.9 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.726 0.639 . . . . 74.010000000000005 112.726 -175.892 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -107.92 98.96 8.47 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.965 -0.561 . . . . 75.129999999999995 110.16 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.588 ' HZ1' ' HB2' ' A' ' 38' ' ' LYS . 3.8 ttmp? -99.32 105.44 17.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.114 0.483 . . . . 74.310000000000002 111.025 178.28 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.33 171.3 14.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.079 0.466 . . . . 73.549999999999997 112.14 -175.61 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -96.21 125.63 40.86 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.847 0.356 . . . . 64.340000000000003 111.573 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.433 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -100.99 134.4 11.68 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 121.466 -0.397 . . . . 74.239999999999995 112.622 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.31 142.6 27.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.241 0.544 . . . . 73.219999999999999 111.273 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.794 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 19.8 t0 -127.96 132.16 49.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.788 -0.642 . . . . 64.209999999999994 112.585 -166.21 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 47.54 -94.48 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.936 1.087 . . . . 70.200000000000003 113.936 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -108.8 20.27 18.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.451 0.538 . . . . 62.020000000000003 112.451 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.82 11.11 7.93 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.027 -0.606 . . . . 71.430000000000007 113.852 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.794 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 29.9 mmmt -69.61 160.94 30.62 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.881 0.34 . . . . 72.450000000000003 110.166 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.62 123.25 26.05 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.345 0.593 . . . . 64.430000000000007 112.474 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.0 146.1 48.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.923 -0.58 . . . . 74.239999999999995 110.187 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.83 120.78 26.47 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.928 0.394 . . . . 63.43 111.185 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.85 121.17 43.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.282 -0.417 . . . . 64.209999999999994 110.87 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -126.85 117.94 23.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.94 0.4 . . . . 74.140000000000001 110.786 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.511 ' HB3' HG13 ' A' ' 75' ' ' VAL . 42.6 p90 -127.37 135.41 50.45 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.992 0.425 . . . . 72.109999999999999 111.551 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.466 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 58.0 p -94.8 109.74 21.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 75.420000000000002 111.25 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.99 141.75 30.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.263 -0.426 . . . . 60.32 111.362 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -69.87 -3.95 18.14 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.248 0.462 . . . . 61.32 112.248 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -160.24 174.7 13.83 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.744 0.307 . . . . 72.530000000000001 111.034 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.0 131.46 34.46 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.76 0.314 . . . . 73.439999999999998 110.81 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.85 -176.24 3.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.954 0.407 . . . . 72.530000000000001 112.091 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 60' ' ' ARG . 3.6 mpt_? -64.45 112.71 3.25 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.269 0.556 . . . . 74.400000000000006 111.943 -177.589 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -85.78 155.63 20.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.525 . . . . 71.0 111.474 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.99 11.02 8.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.959 0.504 . . . . 75.420000000000002 111.573 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.12 178.31 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.777 0.323 . . . . 51.210000000000001 111.173 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -116.12 142.73 46.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.36 0.6 . . . . 74.329999999999998 111.658 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.621 HD13 HD12 ' A' ' 15' ' ' ILE . 52.7 mt -125.15 130.52 52.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 71.519999999999996 111.328 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.745 ' HD3' ' HG3' ' A' ' 10' ' ' GLU . 50.9 mtt180 -82.89 93.67 7.55 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.659 -0.497 . . . . 72.430000000000007 109.659 168.776 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -91.31 125.74 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.488 0.661 . . . . 65.409999999999997 112.012 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.439 ' HH ' ' HA ' ' A' ' 5' ' ' ARG . 65.6 t80 -70.03 119.19 13.86 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.945 -1.025 . . . . 65.099999999999994 111.31 178.565 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.428 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 45.4 t-80 -112.12 118.26 34.88 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.118 0.485 . . . . 61.119999999999997 112.087 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 m -97.65 -167.48 1.53 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.077 -0.51 . . . . 64.5 111.116 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -59.33 3.42 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.913 0.709 . . . . 51.409999999999997 112.913 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.552 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 49.0 pttt -82.87 -62.2 1.66 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 120.887 0.375 . . . . 71.239999999999995 111.26 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.552 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 31.6 mtmm -154.67 -50.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.176 0.59 . . . . 71.109999999999999 110.224 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.88 -78.67 1.36 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.173 -0.537 . . . . 72.549999999999997 113.135 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.511 HG13 ' HB3' ' A' ' 53' ' ' PHE . 14.2 t 53.2 35.53 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.65 0.738 . . . . 65.340000000000003 111.273 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 m -58.85 -23.76 61.19 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.012 -0.54 . . . . 74.439999999999998 112.032 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.02 130.35 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.916 0.339 . . . . 74.040000000000006 111.916 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -120.11 128.93 53.91 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.376 -0.374 . . . . 73.540000000000006 110.062 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -117.66 141.0 48.89 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.217 0.532 . . . . 71.340000000000003 111.902 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.6 tt0 -81.34 97.04 7.51 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.652 -0.704 . . . . 71.400000000000006 112.273 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.03 142.96 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.316 0.579 . . . . 74.409999999999997 111.256 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -114.83 172.19 7.19 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.266 0.555 . . . . 73.099999999999994 111.457 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.38 -10.02 0.35 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.118 1.155 . . . . 71.409999999999997 114.118 -176.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.56 -40.73 75.69 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.495 0.554 . . . . 62.32 112.495 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.31 -0.24 44.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.786 0.661 . . . . 73.200000000000003 112.786 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -86.2 124.25 70.46 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 111.854 0.316 . . . . 74.040000000000006 111.854 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.614 ' O ' HG11 ' A' ' 90' ' ' VAL . 36.2 Cg_endo -65.43 126.41 16.18 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.346 2.031 . . . . 71.030000000000001 112.448 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.81 -41.63 3.3 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.312 0.856 . . . . 52.439999999999998 113.312 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.437 ' O ' ' HB3' ' A' ' 93' ' ' LYS . 93.6 mttt -61.89 -35.26 77.83 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.725 0.639 . . . . 73.140000000000001 112.725 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.614 HG11 ' O ' ' A' ' 87' ' ' PRO . 4.2 p -65.49 -21.03 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.912 -0.492 . . . . 64.109999999999999 111.139 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -99.51 -57.47 2.14 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 111.405 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.41 -37.97 89.4 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.237 0.458 . . . . 72.530000000000001 112.237 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.437 ' HB3' ' O ' ' A' ' 89' ' ' LYS . 24.0 tptm -92.89 -40.73 10.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.649 0.261 . . . . 74.510000000000005 110.688 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 95' ' ' GLY . 7.0 tt 71.25 131.87 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.217 0.607 . . . . 73.219999999999999 112.059 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.461 ' N ' HD22 ' A' ' 94' ' ' LEU . . . 78.13 37.93 27.44 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 116.017 -0.538 . . . . 62.109999999999999 114.219 174.579 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.53 HG21 ' HA ' ' A' ' 90' ' ' VAL . 19.7 m -108.05 146.08 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 122.587 -0.36 . . . . 62.219999999999999 110.544 175.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -61.78 113.24 2.64 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.084 0.468 . . . . 71.530000000000001 111.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.588 ' HG ' ' HE2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -62.86 120.39 11.22 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.23 -0.441 . . . . 64.030000000000001 110.219 175.042 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -174.65 94.3 0.08 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.023 0.44 . . . . 62.549999999999997 111.941 -174.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -92.4 -23.37 19.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.733 -0.469 . . . . 75.209999999999994 109.733 164.54 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.2 t60 68.79 -62.87 0.38 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.771 0.828 . . . . 65.340000000000003 112.982 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -49.33 104.89 0.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.987 0.515 . . . . 70.030000000000001 111.722 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -140.14 19.42 2.44 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.025 0.38 . . . . 74.450000000000003 112.025 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -143.02 96.13 2.88 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.075 0.464 . . . . 74.230000000000004 111.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.552 -0.737 . . . . 63.450000000000003 112.518 179.257 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.885 0.374 . . . . 73.049999999999997 111.403 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -144.97 147.84 33.12 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.073 -0.512 . . . . 73.120000000000005 110.468 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -98.24 0.2 45.27 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.018 0.437 . . . . 62.439999999999998 111.801 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.31 -55.26 5.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 62.130000000000003 111.339 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -99.97 -49.12 4.43 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.517 -0.31 . . . . 62.140000000000001 111.47 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 86.3 mtp 58.55 -168.1 0.14 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.748 0.647 . . . . 74.109999999999999 112.748 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.53 117.97 0.48 Allowed Glycine 0 CA--C 1.527 0.826 0 CA-C-N 116.041 -0.527 . . . . 62.109999999999999 112.569 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -93.88 82.79 4.28 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.267 0.556 . . . . 72.140000000000001 111.368 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -75.1 145.48 42.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.452 0.644 . . . . 73.409999999999997 112.121 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.21 129.22 49.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.625 -0.716 . . . . 64.420000000000002 110.221 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.08 143.58 35.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.102 0.477 . . . . 74.349999999999994 112.012 -172.158 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -99.72 100.29 11.24 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.075 0.464 . . . . 74.120000000000005 110.863 174.17 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG13 ' HA2' ' A' ' 41' ' ' GLY . 33.1 m -98.36 -179.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.203 -0.453 . . . . 45.25 110.758 177.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -133.47 145.46 50.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.941 0.401 . . . . 75.519999999999996 111.228 176.592 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.674 HD13 HD13 ' A' ' 65' ' ' LEU . 43.5 mm -88.48 95.77 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.103 0.478 . . . . 74.109999999999999 111.75 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -97.19 -61.53 1.39 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.128 -0.487 . . . . 61.409999999999997 111.111 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -90.44 127.02 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.284 0.564 . . . . 62.310000000000002 112.169 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -131.63 -173.73 3.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.871 -0.604 . . . . 55.130000000000003 111.347 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.411 ' HA2' ' HD2' ' A' ' 35' ' ' TYR . . . 72.37 8.8 71.72 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 115.091 0.796 . . . . 55.240000000000002 115.091 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 74.3 mmtt -73.45 71.25 1.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.823 0.811 . . . . 63.109999999999999 111.213 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.423 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 50.8 mt-10 -70.37 124.73 24.9 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.949 0.404 . . . . 73.430000000000007 111.773 -177.497 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.04 58.56 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.851 0.834 . . . . 70.239999999999995 111.251 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -98.1 38.15 1.35 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.667 -0.697 . . . . 75.019999999999996 111.235 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -68.56 78.06 0.28 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.192 0.441 . . . . 60.100000000000001 112.192 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 55.49 17.03 2.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 112.925 0.713 . . . . 55.009999999999998 112.925 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.35 32.89 19.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.046 0.451 . . . . 62.32 111.466 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.479 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 24.4 t70 -59.33 92.29 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.955 -0.566 . . . . 71.25 111.907 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . 0.479 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 49.6 t30 163.24 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.01 . . . . 71.209999999999994 109.934 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.2 -40.76 1.49 Allowed Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.133 -0.94 . . . . 55.439999999999998 111.249 -173.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -89.89 136.38 33.08 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.885 0.374 . . . . 72.430000000000007 110.443 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -77.09 92.21 3.75 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.964 0.411 . . . . 75.439999999999998 111.73 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -71.38 146.82 48.52 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.193 0.442 . . . . 61.350000000000001 112.193 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -165.33 59.37 0.12 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.69 0.757 . . . . 74.400000000000006 110.272 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 3.8 m-20 -112.27 148.38 34.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 70.140000000000001 110.984 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.411 ' HD2' ' HA2' ' A' ' 19' ' ' GLY . 37.9 m-85 -84.93 108.96 17.81 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.154 0.502 . . . . 73.109999999999999 112.009 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.466 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 43.9 tt0 -87.89 150.65 23.37 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.962 -0.563 . . . . 52.520000000000003 111.665 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.511 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 80.6 m-85 -129.42 113.59 15.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.446 -0.343 . . . . 74.450000000000003 111.797 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.24 97.6 10.0 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 110.014 -0.365 . . . . 71.299999999999997 110.014 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.5 mt -111.86 147.76 35.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.128 0.489 . . . . 45.509999999999998 112.267 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -102.47 122.23 43.92 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.756 0.312 . . . . 75.109999999999999 110.92 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.43 ' HA2' HG13 ' A' ' 13' ' ' VAL . . . -104.24 146.73 16.33 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 121.354 -0.451 . . . . 75.219999999999999 112.897 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -111.94 124.48 52.47 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.18 0.514 . . . . 74.200000000000003 111.347 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.0 t70 -69.72 154.87 41.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.871 -0.604 . . . . 70.219999999999999 111.979 -178.643 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -62.91 -13.94 40.55 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.937 0.718 . . . . 74.150000000000006 112.937 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -102.01 -11.16 19.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.051 0.453 . . . . 75.349999999999994 111.132 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.81 45.94 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 121.371 -0.442 . . . . 62.340000000000003 113.817 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 56.3 mttp -119.75 168.04 11.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.954 0.377 . . . . 75.310000000000002 110.924 178.647 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -100.55 145.06 28.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.941 0.401 . . . . 74.010000000000005 111.798 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -139.54 141.54 37.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.339 -0.391 . . . . 53.420000000000002 110.465 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.476 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 44.9 tt0 -90.32 116.21 28.1 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.046 0.387 . . . . 74.209999999999994 112.046 -178.436 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.577 ' HG ' HG23 ' A' ' 67' ' ' VAL . 2.8 mm? -110.19 141.94 42.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.582 0.353 . . . . 71.319999999999993 111.046 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.511 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -159.44 140.05 12.3 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.084 -0.385 . . . . 53.420000000000002 111.223 175.4 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -161.34 155.28 22.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.858 0.361 . . . . 74.430000000000007 111.41 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 50.4 p -104.64 121.38 43.43 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.482 -0.326 . . . . 74.540000000000006 111.588 176.532 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.91 149.11 32.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.737 0.415 . . . . 71.109999999999999 110.744 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -74.46 -14.58 60.85 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.969 0.414 . . . . 64.010000000000005 112.046 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -148.36 152.34 36.87 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.661 -0.245 . . . . 73.040000000000006 110.814 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 78.1 m-20 -60.16 144.55 49.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.911 0.386 . . . . 71.230000000000004 110.801 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.69 -73.12 0.46 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.289 -0.414 . . . . 75.010000000000005 112.055 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.702 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 12.4 ttm-85 -168.73 169.17 10.21 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.626 0.25 . . . . 63.340000000000003 110.594 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.706 ' HE3' ' HA ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -96.99 136.2 37.91 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 122.096 -0.377 . . . . 64.409999999999997 111.802 173.677 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.16 -21.15 0.23 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.394 0.887 . . . . 74.409999999999997 113.394 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.702 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . . . -68.76 163.33 24.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.175 0.512 . . . . 62.25 112.181 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 85.3 m-85 -99.74 164.71 11.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.357 0.598 . . . . 74.319999999999993 111.755 -175.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.706 HD22 ' HB2' ' A' ' 78' ' ' TRP . 2.0 tt -141.1 118.91 11.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.174 0.511 . . . . 74.129999999999995 110.763 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -82.74 95.69 7.94 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.841 -0.618 . . . . 60.32 110.937 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.577 HG23 ' HG ' ' A' ' 51' ' ' LEU . 31.2 m -95.65 142.79 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 121.766 0.793 . . . . 64.439999999999998 112.28 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.79 115.1 29.79 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.965 -1.016 . . . . 74.439999999999998 111.737 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -83.85 106.63 15.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.853 0.358 . . . . 53.210000000000001 111.275 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -87.7 -167.06 1.76 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.989 0.423 . . . . 42.450000000000003 111.655 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.86 -11.02 59.98 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.026 0.441 . . . . 73.329999999999998 111.802 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -100.64 23.26 10.66 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.393 -0.367 . . . . 64.409999999999997 111.747 -171.541 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.53 173.79 0.1 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.596 0.713 . . . . 73.209999999999994 112.879 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.476 ' HA2' ' O ' ' A' ' 50' ' ' GLU . . . 55.45 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 CA-C-N 115.306 -0.861 . . . . 37.119999999999997 113.659 -176.36 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.488 HG21 ' N ' ' A' ' 76' ' ' SER . 13.5 p 179.88 165.96 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.892 0.346 . . . . 73.129999999999995 110.709 -174.196 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.488 ' N ' HG21 ' A' ' 75' ' ' VAL . 50.5 m -138.12 -57.45 0.66 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.889 0.376 . . . . 71.200000000000003 110.87 174.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.21 150.32 23.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.297 -0.411 . . . . 64.030000000000001 111.109 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.706 ' HB2' HD22 ' A' ' 65' ' ' LEU . 70.3 p-90 -152.37 145.97 24.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.203 0.525 . . . . 74.099999999999994 112.28 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -131.28 130.36 42.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.206 -0.452 . . . . 71.209999999999994 110.765 176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.85 116.69 22.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.854 0.359 . . . . 71.099999999999994 110.087 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.82 147.27 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.489 0.661 . . . . 73.239999999999995 112.552 -171.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -78.31 140.23 38.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.666 . . . . 74.5 112.045 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.428 ' HZ1' ' CG ' ' A' ' 84' ' ' ASP . 0.0 OUTLIER -63.5 -17.49 62.81 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.915 -0.584 . . . . 71.040000000000006 111.34 177.604 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . 0.428 ' CG ' ' HZ1' ' A' ' 83' ' ' LYS . 4.6 m-20 -64.4 -28.01 69.39 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.774 0.657 . . . . 71.319999999999993 112.774 -177.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -87.18 -6.17 58.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.514 0.561 . . . . 74.239999999999995 112.514 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.0 mt -90.39 123.11 66.38 Favored Pre-proline 0 CA--C 1.541 0.602 0 O-C-N 122.169 -0.332 . . . . 74.0 111.68 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.0 166.08 30.31 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.548 2.165 . . . . 75.129999999999995 112.65 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.13 44.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.285 0.476 . . . . 64.420000000000002 112.285 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.424 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 3.9 mptp? -55.74 -44.98 78.08 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.118 -0.492 . . . . 71.239999999999995 111.83 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.8 t -87.86 -44.27 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.389 -0.369 . . . . 70.349999999999994 111.796 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.95 -61.04 2.91 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.416 0.524 . . . . 72.310000000000002 112.416 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -83.91 -63.55 1.33 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.371 0.508 . . . . 75.200000000000003 112.371 -171.393 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.99 -48.5 29.89 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 111.849 0.315 . . . . 65.219999999999999 111.849 -175.091 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt 67.84 116.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.152 0.501 . . . . 74.430000000000007 111.274 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.45 26.12 5.77 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.127 -0.559 . . . . 41.140000000000001 113.057 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.424 ' HB ' ' HB3' ' A' ' 89' ' ' LYS . 42.2 t -114.05 145.34 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 122.656 -0.32 . . . . 74.129999999999995 110.81 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.7 126.79 30.57 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.172 0.51 . . . . 60.140000000000001 112.344 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.48 HD11 ' N ' ' A' ' 98' ' ' LEU . 5.2 mp -81.23 82.73 7.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.173 0.511 . . . . 65.530000000000001 110.101 173.754 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -81.44 14.87 2.27 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.856 0.688 . . . . 70.519999999999996 112.856 -175.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.32 81.66 1.37 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.344 0.592 . . . . 74.420000000000002 111.545 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -110.04 49.35 0.85 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.329 0.585 . . . . 75.409999999999997 109.585 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.4 m80 65.51 -64.84 0.18 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.697 -0.683 . . . . 75.530000000000001 111.825 -171.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 52.09 68.32 0.83 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.258 0.551 . . . . 71.540000000000006 111.57 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -67.32 -45.37 76.66 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.911 -0.586 . . . . 74.230000000000004 110.444 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.7 m80 . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.642 -0.708 . . . . 70.120000000000005 110.65 171.777 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.447 ' O ' ' HG3' ' A' ' 1' ' ' MET . 26.1 ptt? . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.043 0.449 . . . . 72.150000000000006 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -119.73 37.05 4.3 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.718 -0.614 . . . . 65.200000000000003 111.555 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.424 HD12 ' N ' ' A' ' 4' ' ' ASN . 4.2 pp -58.73 -24.61 61.85 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.019 0.437 . . . . 72.420000000000002 111.832 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.424 ' N ' HD12 ' A' ' 3' ' ' LEU . 29.8 p-10 -75.14 -29.71 60.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.025 0.44 . . . . 75.129999999999995 111.658 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -109.28 -66.46 1.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.726 0.298 . . . . 75.319999999999993 111.667 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.1 mtt 62.23 -179.52 0.13 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.156 0.503 . . . . 63.409999999999997 111.888 -174.026 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.0 -164.94 30.15 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.925 -0.655 . . . . 63.399999999999999 113.126 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -129.53 111.1 12.4 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.989 0.423 . . . . 62.420000000000002 111.017 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.48 140.18 34.75 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.939 0.4 . . . . 72.310000000000002 111.758 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.87 137.88 49.57 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.869 0.366 . . . . 72.430000000000007 110.708 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -113.03 137.85 50.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.872 0.368 . . . . 75.319999999999993 111.827 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . 0.456 ' CD1' HD22 ' A' ' 86' ' ' LEU . 48.4 m-85 -88.93 105.48 17.79 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.975 0.417 . . . . 73.340000000000003 111.483 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -127.94 168.34 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.404 -0.362 . . . . 63.409999999999997 110.615 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -133.62 170.38 15.61 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.698 0.285 . . . . 61.420000000000002 110.831 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.531 ' HB ' ' O ' ' A' ' 61' ' ' LYS . 44.7 mm -72.12 92.96 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 121.3 0.571 . . . . 54.25 111.681 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.9 p -74.15 -64.56 0.99 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.969 -0.56 . . . . 73.340000000000003 110.57 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.7 m -98.8 129.4 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.993 -0.549 . . . . 72.420000000000002 111.113 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.84 171.03 9.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.054 0.454 . . . . 71.329999999999998 111.4 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.33 10.06 73.93 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 114.605 0.602 . . . . 73.129999999999995 114.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 57.4 tptt -69.14 76.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.373 0.606 . . . . 55.539999999999999 109.957 175.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.35 105.68 16.18 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.901 -0.59 . . . . 72.420000000000002 110.539 -177.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.6 m -69.35 84.25 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.987 0.899 . . . . 74.319999999999993 111.888 -175.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -71.88 65.37 0.53 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.193 -0.912 . . . . 72.129999999999995 111.242 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -60.9 -38.21 84.9 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.298 -0.41 . . . . 72.519999999999996 111.508 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 63.21 74.85 0.42 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.899 -0.591 . . . . 62.32 111.618 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.63 -19.61 29.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.173 -0.467 . . . . 75.140000000000001 111.132 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.421 ' C ' ' H ' ' A' ' 29' ' ' GLY . 3.9 t70 53.29 -153.72 0.25 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.564 -0.744 . . . . 75.409999999999997 110.754 -177.093 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 67.54 -12.34 0.28 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.255 0.465 . . . . 73.340000000000003 112.255 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.421 ' H ' ' C ' ' A' ' 27' ' ' ASP . . . 119.75 -15.25 10.49 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.226 -0.349 . . . . 75.329999999999998 112.226 -173.426 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -79.23 115.96 19.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.092 0.472 . . . . 73.230000000000004 111.313 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -99.07 99.59 10.63 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.294 0.479 . . . . 73.430000000000007 112.294 -174.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -96.69 105.7 17.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.55 -0.295 . . . . 73.099999999999994 111.323 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -148.27 61.9 1.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.254 -0.43 . . . . 72.019999999999996 111.04 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -95.76 160.01 14.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.927 0.394 . . . . 73.299999999999997 111.399 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -97.35 123.3 41.13 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.453 -0.34 . . . . 73.5 110.602 177.389 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.495 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -111.12 138.07 48.01 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.742 0.306 . . . . 75.109999999999999 110.949 -171.741 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.418 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 61.0 m-85 -123.89 95.39 4.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.151 0.5 . . . . 72.430000000000007 111.803 -175.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.485 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 8.3 tppt? -79.53 93.19 5.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.249 -0.432 . . . . 64.129999999999995 110.071 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -114.2 137.58 51.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 75.510000000000005 111.92 -172.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -96.88 114.26 25.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.785 0.326 . . . . 64.430000000000007 110.968 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.82 129.85 10.06 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.438 -0.41 . . . . 75.030000000000001 112.697 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.41 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 98.5 m-85 -90.69 136.54 33.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.06 0.457 . . . . 74.420000000000002 111.753 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -87.43 177.62 7.05 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.349 -0.387 . . . . 62.439999999999998 111.063 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -65.19 -31.95 73.38 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.757 1.021 . . . . 63.399999999999999 113.757 -169.059 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.41 -4.39 59.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.897 -0.502 . . . . 74.120000000000005 111.419 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.76 8.72 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.239 -0.505 . . . . 62.210000000000001 112.647 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.41 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 72.1 mmtt -77.64 160.65 28.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.404 0.282 . . . . 62.539999999999999 110.847 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -111.52 107.91 17.26 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.393 0.616 . . . . 74.409999999999997 111.601 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.738 ' HZ1' ' HB2' ' A' ' 49' ' ' LYS . 4.8 ttmp? -110.61 137.46 48.26 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.125 -0.489 . . . . 73.349999999999994 110.882 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.87 125.23 35.68 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.086 0.402 . . . . 65.430000000000007 112.086 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.98 167.5 15.22 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.176 0.512 . . . . 74.129999999999995 111.561 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.485 ' HB3' ' HD3' ' A' ' 38' ' ' LYS . 11.0 pt-20 -168.11 159.37 10.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.16 -0.473 . . . . 63.0 110.798 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -172.77 148.35 1.85 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.133 0.492 . . . . 75.109999999999999 112.207 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.495 HG22 ' HG2' ' A' ' 36' ' ' GLU . 63.0 p -101.56 123.05 44.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.195 0.522 . . . . 73.519999999999996 112.069 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.69 136.5 38.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.352 -0.386 . . . . 71.120000000000005 110.735 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.76 -31.14 61.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.875 0.369 . . . . 43.240000000000002 111.125 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -123.67 162.96 22.02 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.136 -0.483 . . . . 73.219999999999999 111.324 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.34 85.28 5.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.314 0.578 . . . . 72.109999999999999 109.909 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.09 -176.57 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.956 0.724 . . . . 61.310000000000002 112.956 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -57.44 108.04 0.5 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.947 -0.57 . . . . 75.129999999999995 111.695 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.531 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 57.8 mttp -67.51 -35.73 79.67 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.048 -0.524 . . . . 63.240000000000002 112.39 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.58 6.91 32.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.08 0.4 . . . . 72.150000000000006 112.08 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.01 23.06 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 71.140000000000001 111.861 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -100.6 113.44 26.27 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.29 0.566 . . . . 72.409999999999997 110.951 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.518 HD23 ' HA ' ' A' ' 80' ' ' GLU . 96.0 mt -89.94 119.38 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.583 . . . . 73.530000000000001 111.649 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 31.8 mtp180 -80.78 90.07 5.82 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.942 -0.572 . . . . 75.209999999999994 109.787 176.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.5 m -81.49 141.84 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 64.540000000000006 112.725 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.3 t80 -90.77 122.76 33.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.608 -1.178 . . . . 63.409999999999997 112.173 -174.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -74.78 89.68 2.31 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.124 0.488 . . . . 70.299999999999997 110.361 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.8 m -80.0 156.51 27.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.842 -0.617 . . . . 54.210000000000001 112.441 -177.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.48 -43.19 75.34 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.643 -0.708 . . . . 74.140000000000001 111.645 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -81.77 7.4 12.71 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.55 0.574 . . . . 75.049999999999997 112.55 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.657 ' HZ1' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER 64.4 164.45 0.14 Allowed 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.078 0.466 . . . . 74.0 111.297 -179.481 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.605 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . 73.79 20.55 79.77 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.17 -1.014 . . . . 61.140000000000001 114.163 174.186 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.5 t 69.28 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 N-CA-C 113.745 1.017 . . . . 74.319999999999993 113.745 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -111.75 -23.33 10.68 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.777 -0.647 . . . . 65.150000000000006 110.637 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.79 159.81 37.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.018 -0.537 . . . . 71.040000000000006 111.138 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.417 ' CE3' HD21 ' A' ' 65' ' ' LEU . 44.7 p-90 -146.89 148.06 31.43 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.066 0.46 . . . . 73.510000000000005 111.477 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 31.9 mt-10 -109.43 138.99 44.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.151 -0.477 . . . . 74.239999999999995 110.795 177.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.518 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.8 tt0 -99.08 106.86 19.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.919 0.39 . . . . 62.439999999999998 111.701 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -129.55 176.68 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.833 0.349 . . . . 52.439999999999998 110.835 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 171.84 7.93 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.302 0.572 . . . . 74.209999999999994 111.786 175.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.439 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -58.13 -11.96 3.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.552 0.575 . . . . 75.420000000000002 112.552 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.46 -15.88 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.088 0.773 . . . . 64.239999999999995 113.088 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.64 -1.03 30.97 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.738 -0.602 . . . . 62.229999999999997 111.465 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.456 HD22 ' CD1' ' A' ' 12' ' ' TYR . 91.4 mt -93.02 130.65 35.44 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.416 0.524 . . . . 75.109999999999999 112.416 -175.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . 0.533 ' O ' HG13 ' A' ' 90' ' ' VAL . 60.8 Cg_endo -72.99 122.23 7.95 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.528 2.152 . . . . 65.310000000000002 112.004 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.05 -22.77 1.74 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.751 0.649 . . . . 65.239999999999995 112.751 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -46.51 -45.16 18.29 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 75.439999999999998 112.117 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . 0.533 HG13 ' O ' ' A' ' 87' ' ' PRO . 14.5 p -62.9 -36.77 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 120.86 0.362 . . . . 63.340000000000003 111.596 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 -22.32 58.63 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.246 0.546 . . . . 72.140000000000001 110.868 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.09 -26.76 30.76 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.105 -0.498 . . . . 75.209999999999994 111.107 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -91.23 -42.17 10.56 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.076 -0.511 . . . . 74.340000000000003 111.785 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.42 129.77 43.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.154 0.502 . . . . 73.209999999999994 111.694 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 120.84 -39.47 2.4 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.186 -0.53 . . . . 71.120000000000005 112.749 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.4 m -129.64 127.1 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.232 0.539 . . . . 54.439999999999998 111.721 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -102.06 123.61 46.24 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.002 0.43 . . . . 64.319999999999993 110.802 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD22 ' N ' ' A' ' 98' ' ' LEU . 1.8 pt? -142.84 137.79 29.87 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.236 0.541 . . . . 75.129999999999995 111.342 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.435 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 38.6 tt0 -79.01 -38.68 36.02 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.779 0.659 . . . . 71.25 112.779 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . 0.435 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 39.9 m80 68.38 175.82 0.27 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.747 0.419 . . . . 74.409999999999997 110.426 -167.387 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -127.63 99.7 5.69 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.616 . . . . 74.299999999999997 111.519 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.2 113.94 1.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.679 -0.691 . . . . 74.230000000000004 111.443 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -73.5 145.32 45.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.483 0.549 . . . . 72.340000000000003 112.483 -175.243 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -104.76 137.78 42.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.866 -0.607 . . . . 72.120000000000005 111.147 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.606 -0.711 . . . . 71.530000000000001 111.094 174.706 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.914 0.387 . . . . 74.010000000000005 111.34 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.84 98.86 7.26 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 74.219999999999999 111.885 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -114.43 23.79 12.47 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.121 -0.49 . . . . 73.010000000000005 111.135 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -74.63 -46.07 40.74 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.841 0.353 . . . . 74.209999999999994 111.681 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -132.16 96.85 3.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.475 -0.329 . . . . 70.519999999999996 110.799 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.0 mtp -87.47 150.63 23.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.845 0.355 . . . . 73.209999999999994 111.302 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.88 61.55 3.34 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 114.766 0.666 . . . . 74.239999999999995 114.766 -174.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.525 ' HB3' ' HE1' ' A' ' 68' ' ' TYR . 29.5 mtmt -90.45 86.29 6.4 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 122.237 -0.566 . . . . 75.150000000000006 110.381 174.02 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.553 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 3.4 m-20 -87.69 171.89 10.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.756 -0.656 . . . . 71.530000000000001 111.669 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.5 99.98 2.23 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.725 0.774 . . . . 75.129999999999995 110.316 173.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.99 136.8 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 73.310000000000002 111.913 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -89.77 98.7 11.92 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.138 -0.69 . . . . 74.430000000000007 109.138 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.055 0.455 . . . . 70.010000000000005 112.224 -173.106 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.5 pt20 -81.21 150.31 28.68 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.936 0.398 . . . . 73.420000000000002 111.583 -179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.8 mm -64.64 118.62 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.182 0.438 . . . . 75.140000000000001 112.182 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -77.6 -63.43 1.38 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.877 -0.602 . . . . 74.040000000000006 110.642 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.82 148.92 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.062 -0.517 . . . . 71.329999999999998 111.454 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.97 178.95 6.28 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.344 -0.389 . . . . 71.209999999999994 110.962 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.39 55.32 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.977 -0.63 . . . . 40.119999999999997 114.351 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -87.11 130.92 34.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.629 0.714 . . . . 64.030000000000001 110.085 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.59 166.2 10.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.407 0.622 . . . . 72.209999999999994 112.454 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.527 HG11 ' HB2' ' A' ' 36' ' ' GLU . 15.5 m -118.53 65.57 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.798 -0.637 . . . . 71.129999999999995 112.164 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' LYS . 27.1 t60 -63.0 -29.31 70.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.091 0.472 . . . . 75.549999999999997 110.782 175.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t 49.34 -81.0 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.579 1.152 . . . . 72.150000000000006 112.883 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' HIS . 20.1 pttp -153.27 24.59 0.54 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.176 -0.465 . . . . 75.209999999999994 111.273 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.93 69.78 0.48 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.408 0.623 . . . . 72.409999999999997 111.769 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 123.65 33.49 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.958 -0.565 . . . . 62.200000000000003 112.314 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 71.82 -37.69 0.4 Allowed 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.412 1.264 . . . . 75.540000000000006 114.412 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.59 63.78 0.31 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 121.007 -0.616 . . . . 62.009999999999998 112.829 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -35.41 155.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.993 1.479 . . . . 73.439999999999998 114.993 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 71.72 3.29 4.61 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.036 -0.984 . . . . 74.219999999999999 112.796 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -69.64 158.68 34.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 111.943 0.349 . . . . 71.0 111.943 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -131.92 107.16 8.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.906 0.384 . . . . 75.430000000000007 111.895 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.431 ' O ' HG23 ' A' ' 22' ' ' VAL . 4.3 m-20 -115.85 138.09 51.49 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.404 -0.591 . . . . 71.230000000000004 109.404 172.153 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.429 ' O ' ' HA ' ' A' ' 54' ' ' THR . 73.0 m-85 -88.29 146.67 25.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.755 0.65 . . . . 65.010000000000005 112.755 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.527 ' HB2' HG11 ' A' ' 22' ' ' VAL . 33.7 tt0 -112.03 117.89 33.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 74.120000000000005 111.644 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -109.06 101.12 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.063 0.458 . . . . 65.510000000000005 110.978 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.93 125.68 51.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.951 -0.568 . . . . 65.230000000000004 111.046 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.09 161.5 36.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.132 0.491 . . . . 54.43 112.042 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.676 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 84.1 m -98.26 119.48 37.0 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.972 0.415 . . . . 72.510000000000005 111.69 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 117.16 4.51 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.162 -0.542 . . . . 74.409999999999997 112.064 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -99.88 141.12 33.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 75.129999999999995 112.031 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.455 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.8 t70 -91.86 164.78 13.55 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.901 -0.591 . . . . 60.100000000000001 111.334 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -53.45 -30.51 41.09 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.054 0.761 . . . . 73.340000000000003 113.054 -178.232 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.28 8.56 42.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.717 0.636 . . . . 74.109999999999999 112.717 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.07 17.33 56.24 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.291 -0.481 . . . . 75.25 113.428 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.455 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.2 mmtt -81.1 134.11 35.59 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.711 -0.288 . . . . 74.519999999999996 110.823 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.41 141.98 29.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.326 0.584 . . . . 72.129999999999995 112.295 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -148.91 95.69 2.44 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.886 -0.597 . . . . 55.020000000000003 110.639 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.676 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.4 tt0 -77.78 135.27 37.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.146 0.498 . . . . 73.230000000000004 112.101 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.429 HD22 ' N ' ' A' ' 51' ' ' LEU . 2.3 pt? -145.64 165.34 29.01 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.928 -0.578 . . . . 64.420000000000002 110.703 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 142.77 30.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 71.25 111.567 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.67 149.79 35.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.105 -0.498 . . . . 74.299999999999997 111.423 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.429 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 17.6 p -96.14 146.43 24.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.266 0.555 . . . . 74.109999999999999 112.264 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.74 160.47 35.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.959 -0.564 . . . . 43.399999999999999 111.009 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -87.97 -7.47 57.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.241 -0.436 . . . . 71.409999999999997 111.67 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -145.92 149.21 33.79 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.623 -0.262 . . . . 63.340000000000003 111.621 -167.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -84.74 94.75 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.975 0.417 . . . . 64.450000000000003 110.252 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.34 -170.98 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.336 -0.393 . . . . 64.340000000000003 111.918 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 60' ' ' ARG . 6.5 mpt_? -64.29 110.27 2.18 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.164 0.431 . . . . 73.420000000000002 112.164 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . 0.66 ' HB3' ' HZ1' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -61.87 149.63 39.76 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.402 -0.363 . . . . 74.099999999999994 111.422 177.116 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.6 tt0 70.67 -19.13 0.23 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.935 0.717 . . . . 71.439999999999998 112.935 -177.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.61 168.45 14.76 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.015 -0.428 . . . . 71.319999999999993 111.219 178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.417 ' HB2' HG21 ' A' ' 81' ' ' VAL . 89.8 m-85 -102.24 145.13 29.88 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.502 0.668 . . . . 74.409999999999997 112.276 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.492 HD23 ' HA ' ' A' ' 80' ' ' GLU . 75.7 mt -116.27 122.54 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 74.0 110.664 174.568 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.9 84.44 6.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.514 -0.55 . . . . 70.030000000000001 109.514 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -92.65 124.56 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.653 -0.703 . . . . 72.519999999999996 112.31 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.525 ' HE1' ' HB3' ' A' ' 8' ' ' LYS . 29.5 t80 -80.25 139.04 36.87 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.911 -1.041 . . . . 70.25 111.316 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.553 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 13.1 t-80 -99.21 128.49 45.35 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.009 0.744 . . . . 73.120000000000005 113.009 -173.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.7 m -136.36 135.59 38.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.893 -0.594 . . . . 73.430000000000007 110.354 170.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.46 -30.94 26.84 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.991 -0.443 . . . . 71.010000000000005 111.227 173.641 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.607 ' HZ3' ' HB2' ' A' ' 72' ' ' LYS . 8.6 mtmp? -75.39 -45.41 39.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.327 -0.397 . . . . 74.230000000000004 111.768 -178.173 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tmtp? -114.66 6.66 15.76 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 112.08 0.4 . . . . 74.540000000000006 112.08 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.2 -83.49 0.42 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.328 -0.463 . . . . 38.109999999999999 113.602 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.48 109.32 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.029 0.442 . . . . 63.0 110.816 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -90.76 -18.47 24.91 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.073 0.397 . . . . 71.129999999999995 112.073 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.63 148.3 1.5 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.456 0.539 . . . . 64.299999999999997 112.456 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.414 ' CE3' HD21 ' A' ' 65' ' ' LEU . 57.5 p-90 -143.17 142.59 31.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.074 0.464 . . . . 61.329999999999998 110.889 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -115.03 141.49 47.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.371 -0.377 . . . . 65.109999999999999 110.979 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.492 ' HA ' HD23 ' A' ' 65' ' ' LEU . 25.4 tt0 -84.48 119.6 25.34 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.72 0.295 . . . . 64.530000000000001 110.73 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.417 HG21 ' HB2' ' A' ' 64' ' ' PHE . 27.5 m -130.54 130.49 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-O 121.443 0.639 . . . . 65.510000000000005 111.535 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -83.23 161.7 21.43 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.85 -0.531 . . . . 74.239999999999995 111.653 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -47.22 72.53 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.28 -0.418 . . . . 74.230000000000004 111.852 -174.519 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -73.9 -12.5 60.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.437 0.532 . . . . 73.310000000000002 112.437 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.03 -29.32 58.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 74.140000000000001 110.653 173.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.75 144.48 28.67 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.044 -0.526 . . . . 72.310000000000002 111.124 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.31 140.82 72.29 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.6 2.2 . . . . 72.109999999999999 112.925 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.04 -25.34 58.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.28 0.562 . . . . 73.0 111.664 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 93' ' ' LYS . 58.9 mttp -58.35 -15.11 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.002 -0.544 . . . . 70.230000000000004 112.298 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.59 -46.18 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.877 0.37 . . . . 72.239999999999995 111.518 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.65 -54.18 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.146 0.795 . . . . 74.510000000000005 113.146 -172.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.36 -19.08 65.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.539 0.57 . . . . 73.310000000000002 112.539 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 89' ' ' LYS . 1.5 mptm? -86.06 -55.83 3.75 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.329 -0.232 . . . . 75.010000000000005 110.95 175.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 tt 67.8 -22.86 0.12 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.176 0.806 . . . . 74.430000000000007 113.176 174.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . 0.43 ' H ' ' C ' ' A' ' 93' ' ' LYS . . . 128.98 55.44 0.1 Allowed Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.938 -0.476 . . . . 71.120000000000005 112.234 -175.594 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.415 HG11 ' O ' ' A' ' 93' ' ' LYS . 33.8 m -76.4 164.11 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.289 0.566 . . . . 61.340000000000003 112.457 -178.079 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.521 ' HZ2' ' HB3' ' A' ' 97' ' ' LYS . 5.9 ttpm? -124.84 31.18 5.72 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.678 0.751 . . . . 64.129999999999995 111.474 -178.711 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -143.24 146.3 33.52 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.27 -0.423 . . . . 71.209999999999994 111.158 175.626 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.55 -74.05 0.58 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.085 0.469 . . . . 73.530000000000001 111.657 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -138.67 52.85 1.79 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.336 0.588 . . . . 74.200000000000003 110.127 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -75.79 77.48 2.73 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.209 0.528 . . . . 74.200000000000003 112.236 -173.021 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -147.12 131.27 17.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.081 -0.509 . . . . 71.239999999999995 110.437 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -67.48 134.57 51.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.737 0.643 . . . . 74.019999999999996 112.737 -175.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -138.94 31.96 2.2 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.688 -0.687 . . . . 74.329999999999998 110.311 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.4 m80 . . . . . 0 C--O 1.252 1.206 0 CA-C-N 115.473 -0.785 . . . . 71.109999999999999 111.716 -175.363 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.729 0.3 . . . . 71.5 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.16 93.84 4.77 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.846 0.684 . . . . 74.540000000000006 112.846 -170.178 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.662 ' HA ' ' HE3' ' A' ' 6' ' ' MET . 3.2 pp -80.84 -13.78 58.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.27 0.557 . . . . 52.310000000000002 109.924 168.013 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.37 -53.3 58.92 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.369 -0.832 . . . . 74.120000000000005 110.822 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -104.82 85.52 2.31 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.511 0.672 . . . . 74.439999999999998 111.667 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . 0.662 ' HE3' ' HA ' ' A' ' 3' ' ' LEU . 19.5 mmt -85.13 175.42 9.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.525 -0.761 . . . . 71.400000000000006 110.722 172.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.79 71.74 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.027 -0.606 . . . . 75.420000000000002 112.206 -174.282 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -89.16 45.31 1.28 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.217 0.532 . . . . 60.140000000000001 110.47 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.65 178.86 1.91 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.752 0.649 . . . . 72.340000000000003 112.752 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.1 pm0 -86.56 146.99 26.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.772 0.796 . . . . 73.010000000000005 112.887 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.14 151.55 37.36 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.308 -0.86 . . . . 74.219999999999999 110.354 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -90.88 106.51 18.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.822 0.344 . . . . 74.439999999999998 110.685 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.98 147.47 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.146 0.498 . . . . 40.240000000000002 112.033 -179.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.99 154.89 26.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.876 -0.602 . . . . 52.030000000000001 110.633 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 42.9 mm -69.35 86.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.284 0.564 . . . . 62.340000000000003 111.762 -176.557 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 ' OG1' ' HA ' ' A' ' 39' ' ' LEU . 63.7 p -77.88 -45.01 25.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.003 -0.544 . . . . 74.129999999999995 111.061 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.06 131.24 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.792 -0.64 . . . . 71.450000000000003 110.816 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -122.52 154.35 37.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.32 0.581 . . . . 73.25 112.53 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.47 4.55 31.74 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 115.61 1.004 . . . . 72.219999999999999 115.61 169.551 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.94 89.8 2.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.594 1.197 . . . . 72.129999999999995 110.113 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.516 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 7.8 pt-20 -72.45 150.8 43.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.987 -1.006 . . . . 52.009999999999998 113.479 -172.016 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.03 93.17 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.956 -1.02 . . . . 75.129999999999995 110.917 173.712 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . 0.516 ' HB3' ' HG3' ' A' ' 33' ' ' LYS . 6.1 p-80 -90.59 21.72 3.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.972 -0.455 . . . . 75.310000000000002 111.127 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t 61.6 -80.76 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.501 0.721 . . . . 74.200000000000003 111.997 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -162.65 20.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 62.130000000000003 110.612 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.486 ' HB1' ' HA ' ' A' ' 30' ' ' GLN . . . -78.69 24.01 0.3 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.959 0.726 . . . . 50.119999999999997 112.959 -174.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.88 131.36 49.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.868 0.366 . . . . 74.230000000000004 111.433 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 64.28 28.33 13.84 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.387 0.613 . . . . 73.129999999999995 110.969 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.33 47.27 0.08 OUTLIER Glycine 0 CA--C 1.526 0.739 0 CA-C-N 116.274 -0.421 . . . . 70.049999999999997 112.362 176.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.486 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -81.33 92.5 6.4 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.635 0.606 . . . . 74.409999999999997 112.635 -173.183 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.8 -2.16 58.16 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.661 0.744 . . . . 71.310000000000002 110.049 167.07 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 26' ' ' ALA . 3.2 p90 -146.97 136.16 22.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 75.129999999999995 109.712 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.516 ' HG3' ' HB3' ' A' ' 23' ' ' HIS . 51.4 tttm -167.68 92.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.839 0.352 . . . . 71.540000000000006 110.205 -170.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.74 143.42 33.13 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.075 0.398 . . . . 72.519999999999996 112.075 -172.727 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . 0.516 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 82.9 m-85 -84.6 137.34 33.34 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.865 -0.42 . . . . 64.439999999999998 109.865 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -120.78 144.69 48.17 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 75.400000000000006 111.437 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 58.8 m-85 -132.31 111.39 11.32 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.081 -0.509 . . . . 74.140000000000001 111.276 -174.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -103.12 88.78 3.23 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.054 0.454 . . . . 74.230000000000004 109.868 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.42 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 25.4 mt -104.36 144.67 31.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.179 -0.464 . . . . 73.219999999999999 112.14 -170.16 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.9 m -73.63 117.51 15.49 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.792 0.33 . . . . 64.230000000000004 111.147 175.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -102.16 128.01 9.41 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.296 -0.478 . . . . 51.25 112.579 178.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . 0.424 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 93.3 m-85 -94.61 137.29 33.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.096 0.474 . . . . 73.150000000000006 111.597 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' CB ' ' HB2' ' A' ' 47' ' ' LYS . 15.4 t70 -69.18 147.38 51.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.192 -0.458 . . . . 72.409999999999997 109.773 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.69 -11.95 49.5 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.524 0.564 . . . . 75.420000000000002 112.524 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.49 -49.55 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.772 0.32 . . . . 74.150000000000006 110.606 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.31 75.4 0.02 OUTLIER Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.994 -0.622 . . . . 65.540000000000006 113.76 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.424 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 63.8 mttm -143.61 161.55 38.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.574 0.35 . . . . 65.040000000000006 110.559 175.548 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -111.73 124.58 52.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.703 0.287 . . . . 53.009999999999998 111.448 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -152.67 120.75 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.962 -0.385 . . . . 73.409999999999997 109.962 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.04 130.11 39.17 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.781 0.66 . . . . 72.400000000000006 112.781 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.53 HD21 ' HD1' ' A' ' 69' ' ' HIS . 3.9 mm? -110.94 140.74 45.19 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.727 -0.67 . . . . 44.219999999999999 109.809 172.483 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.459 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -137.76 139.63 40.18 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.032 0.444 . . . . 70.540000000000006 112.102 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.599 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 52.8 p90 -157.07 161.55 39.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.143 0.497 . . . . 73.219999999999999 112.313 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 p -98.38 157.86 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.071 -0.513 . . . . 70.030000000000001 111.108 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.42 179.65 6.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.129 0.49 . . . . 62.240000000000002 111.987 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -35.44 11.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.074 -0.512 . . . . 75.239999999999995 112.023 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -127.16 179.54 5.38 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.009 0.433 . . . . 71.129999999999995 111.115 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -77.09 107.78 9.7 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.756 -0.831 . . . . 64.239999999999995 108.756 166.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.26 174.41 4.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.097 0.475 . . . . 64.329999999999998 112.194 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -64.56 100.08 0.35 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.414 0.626 . . . . 72.519999999999996 110.986 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 31.6 mtmm -69.32 14.53 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.121 1.156 . . . . 62.450000000000003 114.121 -169.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -139.38 -7.75 1.32 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.974 -0.454 . . . . 63.25 111.697 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 175.92 9.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 37.469999999999999 111.847 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.84 136.3 52.63 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.102 -0.499 . . . . 74.400000000000006 110.168 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.489 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 4.2 mp -110.41 130.63 55.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.054 0.454 . . . . 74.150000000000006 111.652 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -84.74 95.85 9.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.399 -0.593 . . . . 75.140000000000001 109.399 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 78' ' ' TRP . 31.3 m -99.48 135.18 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.765 0.654 . . . . 62.25 112.765 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.22 105.88 3.12 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.35 -0.841 . . . . 74.239999999999995 110.859 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.53 ' HD1' HD21 ' A' ' 51' ' ' LEU . 11.9 t60 -74.18 96.92 2.84 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.009 0.433 . . . . 63.310000000000002 111.429 -173.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.505 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 29.2 m -120.23 118.36 30.26 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.466 -0.333 . . . . 55.509999999999998 111.146 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -53.71 -62.72 1.47 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.757 0.651 . . . . 55.109999999999999 112.757 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 20.78 1.19 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.06 0.763 . . . . 74.409999999999997 113.06 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 24.3 tptm -143.23 -8.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.871 0.367 . . . . 54.210000000000001 111.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.3 -82.68 0.13 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.854 -0.499 . . . . 65.219999999999999 111.854 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.599 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 74.2 t -140.11 116.94 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 122.802 0.441 . . . . 72.239999999999995 110.412 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.8 t -87.61 -18.3 29.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.637 0.256 . . . . 64.439999999999998 111.66 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.14 148.99 15.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.588 -0.278 . . . . 72.219999999999999 111.381 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.446 ' HB3' HG12 ' A' ' 67' ' ' VAL . 47.2 p-90 -145.67 140.95 27.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.928 0.394 . . . . 75.530000000000001 111.947 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . 0.489 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 32.0 mt-10 -120.94 136.48 54.95 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.532 -0.304 . . . . 51.409999999999997 110.99 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.51 106.25 18.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.55 -0.295 . . . . 73.030000000000001 110.872 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -115.17 163.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.178 0.513 . . . . 64.0 112.191 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -100.55 147.47 25.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.432 -0.349 . . . . 65.439999999999998 111.43 -178.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.97 -24.7 55.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.446 0.536 . . . . 75.010000000000005 112.446 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.05 -50.71 72.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.268 0.556 . . . . 71.109999999999999 111.543 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.88 -2.43 56.44 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.902 -0.59 . . . . 72.219999999999999 111.611 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.3 mt -93.28 145.03 29.27 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.476 -0.329 . . . . 74.439999999999998 110.901 176.407 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_exo -61.82 105.62 0.39 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.318 2.012 . . . . 54.420000000000002 112.44 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.53 18.45 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.425 -0.352 . . . . 55.0 111.62 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -39.97 -40.19 0.98 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.883 0.873 . . . . 74.430000000000007 112.402 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.7 t -57.83 -46.35 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 120.901 0.381 . . . . 75.310000000000002 111.718 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -84.18 -32.09 24.77 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.605 -0.271 . . . . 65.340000000000003 111.667 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.17 -42.33 80.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.074 0.398 . . . . 72.430000000000007 112.074 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -80.3 -29.67 38.2 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.844 0.354 . . . . 72.530000000000001 111.771 -176.419 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.5 107.0 1.26 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.011 0.434 . . . . 65.540000000000006 111.385 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.75 -0.16 62.75 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 121.157 -0.544 . . . . 63.140000000000001 113.337 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.721 HG13 ' H ' ' A' ' 98' ' ' LEU . 41.4 t -125.13 145.48 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 122.401 -0.47 . . . . 72.030000000000001 111.147 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.539 ' HD2' HD13 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -113.75 18.4 17.46 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.184 0.439 . . . . 74.120000000000005 112.184 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.721 ' H ' HG13 ' A' ' 96' ' ' VAL . 5.6 mp -116.23 172.16 7.36 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.078 0.466 . . . . 74.420000000000002 110.96 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -103.27 -42.67 5.67 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.352 -0.61 . . . . 72.219999999999999 109.352 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -167.33 -76.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.332 -0.849 . . . . 75.099999999999994 109.416 171.345 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -159.39 136.22 9.43 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.195 0.598 . . . . 74.439999999999998 110.349 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -71.89 87.02 0.99 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.134 0.492 . . . . 72.519999999999996 112.031 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -151.07 108.23 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.861 -0.609 . . . . 75.230000000000004 111.195 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 68.1 140.84 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.162 0.506 . . . . 63.299999999999997 112.058 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.602 -0.714 . . . . 61.439999999999998 110.921 174.393 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.57 0.224 . . . . 64.519999999999996 110.784 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.0 137.02 50.58 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.526 0.203 . . . . 71.030000000000001 111.315 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.523 HD12 ' N ' ' A' ' 4' ' ' ASN . 3.6 pp -64.89 -26.85 68.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.114 0.783 . . . . 64.030000000000001 113.114 -175.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.523 ' N ' HD12 ' A' ' 3' ' ' LEU . 21.4 m120 -70.78 -11.61 61.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.986 -0.446 . . . . 71.209999999999994 111.724 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -79.36 -27.94 41.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.019 0.437 . . . . 63.109999999999999 110.976 173.245 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt -90.42 93.52 9.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 65.299999999999997 110.744 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.0 71.69 0.36 Allowed Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.715 -0.755 . . . . 74.409999999999997 112.994 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -73.44 0.2 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 109.889 -0.411 . . . . 74.299999999999997 109.889 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . 0.732 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 19.5 m-20 -138.27 113.15 9.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.757 -0.201 . . . . 73.109999999999999 110.556 173.72 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.03 111.95 24.67 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.312 0.577 . . . . 61.210000000000001 110.991 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.55 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.25 -0.432 . . . . 72.450000000000003 111.392 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -95.06 100.41 12.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.986 0.422 . . . . 75.010000000000005 111.021 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.55 148.67 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.429 -0.35 . . . . 64.25 111.231 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -105.63 175.38 5.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.177 0.513 . . . . 54.229999999999997 111.617 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.42 HG23 ' O ' ' A' ' 60' ' ' ARG . 48.3 mm -79.5 105.19 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.007 -0.542 . . . . 71.319999999999993 111.835 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.1 p -96.93 -69.21 0.77 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.46 -0.337 . . . . 75.439999999999998 111.199 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -103.29 128.45 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.017 0.436 . . . . 71.340000000000003 111.422 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.58 167.57 16.18 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.094 0.473 . . . . 60.210000000000001 111.94 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.19 8.0 64.39 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 114.788 0.675 . . . . 64.200000000000003 114.788 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.18 90.42 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.528 0.664 . . . . 71.409999999999997 110.499 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . 0.723 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 12.6 pt-20 -80.27 121.51 25.73 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.509 0.671 . . . . 73.549999999999997 111.673 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.403 ' O ' HG21 ' A' ' 22' ' ' VAL . 16.6 m -108.54 89.3 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.658 0.742 . . . . 65.25 111.45 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -72.63 77.38 1.09 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.041 -0.527 . . . . 71.140000000000001 110.908 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -164.39 42.7 0.09 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.355 0.598 . . . . 70.219999999999999 110.171 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -164.56 58.83 0.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.974 -0.557 . . . . 52.229999999999997 111.545 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.415 ' CB ' ' HB2' ' A' ' 32' ' ' TYR . . . -169.21 -111.46 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.216 1.191 . . . . 72.150000000000006 114.216 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.21 -179.29 4.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.597 0.962 . . . . 75.340000000000003 113.597 -164.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.53 -11.61 59.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.147 -0.933 . . . . 71.340000000000003 112.752 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.0 -41.52 0.02 OUTLIER Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.305 -0.95 . . . . 70.530000000000001 113.731 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -58.09 121.22 10.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.215 0.531 . . . . 75.420000000000002 110.858 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.74 91.6 5.93 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.917 0.71 . . . . 75.109999999999999 112.917 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . 0.488 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 87.4 m-85 -96.61 135.68 38.19 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.817 169.392 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.723 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.14 108.41 6.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.767 0.318 . . . . 73.25 111.548 174.382 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.532 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 4.4 m-20 -85.49 146.98 26.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.515 -0.311 . . . . 72.25 110.516 175.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.13 117.62 29.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.948 0.404 . . . . 74.109999999999999 110.903 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' HA ' HG21 ' A' ' 54' ' ' THR . 42.8 tt0 -84.57 105.15 15.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.375 0.509 . . . . 74.209999999999994 112.375 -172.763 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.8 m-85 -96.12 92.73 6.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.144 -0.48 . . . . 74.549999999999997 110.492 172.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.507 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 16.4 ttpt -99.15 106.82 19.05 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 122.269 -0.269 . . . . 64.040000000000006 110.539 176.645 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.421 ' N ' HD21 ' A' ' 39' ' ' LEU . 1.4 mm? -114.43 135.85 53.65 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.964 0.411 . . . . 63.119999999999997 111.552 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -75.87 98.87 4.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.031 0.443 . . . . 74.439999999999998 110.019 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.38 130.95 19.15 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 116.135 -0.484 . . . . 64.129999999999995 112.951 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -96.99 132.44 42.8 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.866 0.365 . . . . 74.109999999999999 111.44 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.79 158.85 31.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.315 -0.402 . . . . 63.149999999999999 112.064 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -50.71 -39.86 52.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.313 0.645 . . . . 74.400000000000006 112.208 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.67 -56.83 12.7 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.14 0.495 . . . . 72.400000000000006 111.063 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.22 48.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.488 -0.778 . . . . 61.25 111.472 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -112.86 -179.35 3.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.684 0.393 . . . . 74.519999999999996 111.154 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.88 138.92 53.12 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.912 0.387 . . . . 75.420000000000002 111.2 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -144.31 141.53 29.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.229 -0.294 . . . . 61.109999999999999 110.409 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.78 114.78 26.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 122.031 -0.418 . . . . 73.430000000000007 111.895 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.75 146.84 46.65 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 120.712 0.291 . . . . 71.25 110.977 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.507 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -147.46 124.91 11.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.83 0.307 . . . . 73.5 111.83 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.41 127.69 33.92 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.186 0.517 . . . . 73.430000000000007 111.21 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' THR . . . . . 0.532 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 25.5 p -96.57 112.75 24.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.065 0.46 . . . . 74.019999999999996 112.006 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.97 150.93 20.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.972 0.415 . . . . 65.340000000000003 111.952 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -77.79 -16.7 58.18 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.594 0.59 . . . . 60.240000000000002 112.594 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.69 ' HZ3' ' HB3' ' A' ' 57' ' ' LYS . 10.1 mtpm? -139.61 160.64 39.39 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.769 0.318 . . . . 71.120000000000005 111.317 177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.23 119.04 10.16 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.574 -0.528 . . . . 74.120000000000005 109.574 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.449 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 84.2 mt -80.52 -89.17 0.07 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.282 0.845 . . . . 72.340000000000003 113.282 -170.184 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.449 ' HD2' ' C ' ' A' ' 59' ' ' LEU . 11.0 mpt_? -125.32 -163.9 1.24 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.78 0.324 . . . . 71.25 111.444 -172.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -129.05 -77.02 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.015 0.436 . . . . 74.5 111.08 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -87.54 -18.38 29.9 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.825 0.345 . . . . 74.510000000000005 111.554 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.61 49.28 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.105 0.479 . . . . 70.109999999999999 112.224 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.515 ' CD1' ' HB3' ' A' ' 83' ' ' LYS . 10.8 m-85 -98.23 160.45 14.28 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.793 0.806 . . . . 74.530000000000001 111.839 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.534 HD23 ' HA ' ' A' ' 80' ' ' GLU . 29.1 mt -131.44 135.55 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.366 -0.833 . . . . 72.510000000000005 110.899 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.447 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 35.8 mtp-105 -80.74 90.46 5.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.33 -0.395 . . . . 63.439999999999998 110.264 175.653 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.9 t -86.23 126.6 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.489 0.662 . . . . 72.310000000000002 111.915 -176.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.584 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 32.3 t80 -89.41 128.13 35.9 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.376 -0.829 . . . . 70.310000000000002 112.139 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . 0.732 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 25.3 t-80 -92.1 129.98 37.93 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.312 0.486 . . . . 73.549999999999997 112.312 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -140.41 168.92 18.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.148 -0.478 . . . . 65.349999999999994 110.98 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.9 -68.05 0.61 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.15 0.426 . . . . 75.329999999999998 112.15 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -87.48 -4.05 59.0 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.333 0.864 . . . . 54.299999999999997 113.333 -170.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -113.29 -24.99 9.06 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.277 -0.264 . . . . 74.040000000000006 111.677 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.21 -64.93 2.74 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.545 -0.836 . . . . 38.200000000000003 111.681 -172.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.584 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 90.1 t -124.56 119.74 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.935 0.397 . . . . 70.140000000000001 111.017 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -92.95 -26.18 17.68 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.834 0.309 . . . . 75.209999999999994 111.834 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -171.47 166.34 6.88 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.808 0.337 . . . . 71.209999999999994 111.864 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.447 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 39.9 p-90 -152.05 134.14 15.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.248 -0.433 . . . . 72.200000000000003 111.109 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -121.22 144.95 48.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.218 0.532 . . . . 72.299999999999997 111.696 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.534 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.3 tt0 -76.11 127.25 32.54 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.709 -0.678 . . . . 73.340000000000003 112.273 -174.626 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.12 151.28 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-O 121.397 0.618 . . . . 73.420000000000002 112.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.404 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.7 mtpp -84.73 148.52 26.32 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.965 -0.561 . . . . 74.010000000000005 110.708 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . 0.515 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -83.18 3.94 28.77 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.069 0.461 . . . . 71.430000000000007 111.628 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -107.67 -10.53 15.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.391 -0.368 . . . . 74.430000000000007 111.81 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.404 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.8 pt-20 -97.27 -10.52 25.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.007 0.432 . . . . 64.420000000000002 111.275 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.81 158.67 72.69 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.138 -0.483 . . . . 64.420000000000002 111.605 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -49.41 143.72 19.87 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.914 2.41 . . . . 70.310000000000002 113.593 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -29.07 22.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.108 0.781 . . . . 74.439999999999998 113.108 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . 0.502 ' HA ' ' HB3' ' A' ' 92' ' ' GLU . 4.4 mptp? -62.64 -22.47 66.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.571 0.582 . . . . 72.530000000000001 112.571 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.12 -52.5 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.310000000000002 110.539 175.053 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.75 -23.62 63.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.242 -0.435 . . . . 63.450000000000003 111.176 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.502 ' HB3' ' HA ' ' A' ' 89' ' ' LYS . 44.8 tt0 -72.63 -33.69 66.81 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.1 -0.5 . . . . 73.519999999999996 111.785 -178.721 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -110.16 -56.54 2.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.49 0.552 . . . . 65.329999999999998 112.49 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 109.25 6.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.191 0.519 . . . . 65.120000000000005 111.93 -170.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.48 51.36 12.66 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 115.793 -0.64 . . . . 75.140000000000001 114.465 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -65.97 138.93 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 117.206 0.503 . . . . 75.420000000000002 110.621 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.67 -51.94 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.079 0.466 . . . . 72.099999999999994 111.896 -172.309 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 74.8 mt -110.82 104.79 13.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.316 -0.402 . . . . 70.439999999999998 110.843 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.14 -69.78 0.23 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.035 0.754 . . . . 63.43 113.035 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.38 81.72 0.19 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.074 0.464 . . . . 74.540000000000006 111.609 -172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -84.83 105.87 15.94 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.369 0.604 . . . . 65.319999999999993 111.375 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -146.93 139.46 24.9 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.308 -0.405 . . . . 74.209999999999994 110.753 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -134.21 146.38 50.06 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.964 0.412 . . . . 74.140000000000001 111.752 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 t60 61.5 -88.64 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.752 -0.658 . . . . 74.349999999999994 112.345 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.765 -0.636 . . . . 75.299999999999997 111.189 -177.324 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.624 ' N ' ' SD ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 112.269 0.47 . . . . 53.43 112.269 . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.85 83.45 1.67 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.801 -0.562 . . . . 74.450000000000003 110.646 174.543 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LEU . . . . . 0.515 ' HG ' HD21 ' A' ' 4' ' ' ASN . 2.5 pt? -64.45 -22.59 67.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.137 0.792 . . . . 64.310000000000002 113.137 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ASN . . . . . 0.515 HD21 ' HG ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -84.46 -11.45 56.15 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.061 -0.4 . . . . 72.209999999999994 111.664 177.112 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -107.22 -58.04 2.0 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.632 0.253 . . . . 51.549999999999997 111.658 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.6 mtt 64.01 175.42 0.18 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.417 0.627 . . . . 73.340000000000003 112.413 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.19 116.73 1.01 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.213 -0.518 . . . . 71.129999999999995 112.79 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.422 ' HD3' ' HH ' ' A' ' 68' ' ' TYR . 92.2 mttt -106.77 124.47 49.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.409 -0.465 . . . . 73.310000000000002 111.049 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -112.38 149.21 32.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.804 0.335 . . . . 70.109999999999999 111.861 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -114.75 132.98 56.27 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.922 0.392 . . . . 64.120000000000005 110.673 170.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.09 126.32 51.95 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.269 -0.269 . . . . 75.519999999999996 110.961 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.08 99.86 12.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.013 0.435 . . . . 74.200000000000003 110.491 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.5 150.07 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.23 -0.441 . . . . 60.32 111.674 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLN . . . . . 0.417 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.6 pt20 -97.57 134.79 40.31 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.036 0.446 . . . . 62.399999999999999 111.215 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 47.3 mm -70.62 97.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.207 0.527 . . . . 74.340000000000003 112.086 -177.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -82.34 -44.94 15.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.059 -0.519 . . . . 75.319999999999993 111.461 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.67 139.77 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.254 -0.43 . . . . 61.109999999999999 111.586 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -131.41 161.99 31.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.805 0.336 . . . . 73.049999999999997 111.591 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.97 9.69 22.41 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 114.696 0.639 . . . . 51.140000000000001 114.696 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.496 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 64.9 tttm -78.78 138.67 38.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.445 0.623 . . . . 63.530000000000001 109.998 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -127.63 158.91 36.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.313 0.578 . . . . 74.530000000000001 112.016 -173.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.68 57.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.286 0.565 . . . . 73.120000000000005 110.496 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -55.77 -33.95 64.81 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.768 0.795 . . . . 65.040000000000006 111.075 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -149.0 10.69 0.8 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.577 -1.192 . . . . 62.119999999999997 110.428 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -99.38 3.63 45.99 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.942 -0.572 . . . . 73.230000000000004 111.812 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.0 -87.53 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.518 -0.31 . . . . 71.519999999999996 111.829 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -175.63 85.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.735 0.302 . . . . 73.239999999999995 110.893 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 46.53 27.96 0.7 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.422 0.897 . . . . 73.430000000000007 113.422 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 60.06 0.31 Allowed Glycine 0 CA--C 1.522 0.493 0 C-N-CA 121.242 -0.504 . . . . 73.120000000000005 112.666 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -68.47 86.2 0.29 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.712 0.768 . . . . 74.030000000000001 112.04 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.587 ' HD2' ' O ' ' A' ' 31' ' ' LYS . 3.8 tmmm? -120.52 -14.14 8.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.834 0.826 . . . . 52.299999999999997 109.922 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -130.32 108.18 9.81 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.022 -0.99 . . . . 75.109999999999999 111.377 -172.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.683 ' HZ1' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mtmp? -88.15 69.19 9.22 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 73.219999999999999 110.988 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -86.59 166.9 15.04 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.934 0.397 . . . . 75.219999999999999 110.878 175.73 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -86.8 156.39 19.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.26 0.552 . . . . 72.310000000000002 112.126 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.496 ' O ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -154.32 138.8 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.918 -173.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -129.76 102.06 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.366 -0.379 . . . . 73.340000000000003 110.796 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.504 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 22.7 ttpp -94.19 120.22 34.13 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.799 0.333 . . . . 73.150000000000006 111.034 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.41 161.6 40.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.498 0.665 . . . . 62.409999999999997 112.221 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' THR . . . . . 0.53 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 37.1 m -84.07 109.82 17.98 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.991 -0.55 . . . . 73.340000000000003 112.057 -178.161 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 154.71 36.66 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.276 -0.488 . . . . 41.539999999999999 112.679 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.89 126.52 48.87 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.016 0.436 . . . . 75.019999999999996 111.594 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . 0.665 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 14.6 t70 -71.5 154.72 41.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.955 -0.566 . . . . 73.239999999999995 111.121 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.79 -27.28 59.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.092 0.775 . . . . 70.150000000000006 113.092 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.4 0.68 55.12 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.048 0.451 . . . . 72.049999999999997 111.76 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.63 46.59 3.96 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.299 -0.477 . . . . 63.329999999999998 112.58 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.665 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 92.2 mttt -121.15 -179.6 4.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.501 0.32 . . . . 74.239999999999995 110.909 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.38 160.96 15.74 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.099 0.777 . . . . 73.329999999999998 113.099 -174.518 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.406 ' HA ' ' HD2' ' A' ' 49' ' ' LYS . 22.7 tptt -170.11 93.55 0.23 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.889 -0.596 . . . . 74.439999999999998 110.882 167.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 2.3 tm-20 -80.2 107.03 12.66 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.168 -0.469 . . . . 42.039999999999999 110.628 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 pp -138.6 175.22 9.75 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.504 0.557 . . . . 55.009999999999998 112.504 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLU . . . . . 0.504 ' HB3' ' HG3' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -132.56 157.9 43.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.904 0.383 . . . . 53.350000000000001 111.831 -179.147 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PHE . . . . . 0.422 ' CZ ' HD12 ' A' ' 65' ' ' LEU . 52.6 p90 -140.68 151.33 44.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 62.229999999999997 110.808 173.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.2 p -108.71 140.26 42.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.402 0.519 . . . . 73.030000000000001 112.402 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.8 167.38 16.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.831 -0.622 . . . . 64.430000000000007 110.857 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -85.34 -47.94 9.53 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.162 0.506 . . . . 75.25 111.062 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -126.57 163.77 22.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.022 -0.535 . . . . 74.329999999999998 110.753 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.46 118.9 8.16 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.347 -0.388 . . . . 72.319999999999993 110.897 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -90.12 -172.3 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.171 0.51 . . . . 74.030000000000001 112.186 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.74 111.75 20.42 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.086 0.469 . . . . 71.120000000000005 112.168 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.4 ptmt -76.65 162.84 27.41 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.172 0.511 . . . . 55.409999999999997 112.122 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 64.29 7.99 3.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.729 0.776 . . . . 72.540000000000006 111.485 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.75 150.93 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 71.0 109.935 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PHE . . . . . 0.417 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 38.0 m-85 -82.39 156.54 24.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 74.030000000000001 110.425 176.468 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 HD12 ' CZ ' ' A' ' 53' ' ' PHE . 1.5 tt -145.68 126.82 14.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.331 0.586 . . . . 62.299999999999997 111.232 -173.211 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 63.5 ttt180 -81.35 92.42 6.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.426 -0.807 . . . . 73.409999999999997 110.794 179.359 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.23 137.9 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.708 0.766 . . . . 72.540000000000006 112.275 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . 0.422 ' HH ' ' HD3' ' A' ' 8' ' ' LYS . 73.8 t80 -91.79 130.6 37.54 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.857 -1.065 . . . . 72.310000000000002 112.189 -174.583 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -74.96 103.96 5.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.953 0.406 . . . . 72.430000000000007 111.605 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -100.9 149.37 23.95 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.452 -0.34 . . . . 71.310000000000002 111.653 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.33 -41.85 98.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.119 -0.491 . . . . 75.109999999999999 111.734 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -83.02 -0.08 47.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.371 -0.377 . . . . 74.319999999999993 111.759 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.509 ' HZ1' ' HB2' ' A' ' 73' ' ' LYS . 0.1 OUTLIER 63.78 -161.78 0.28 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.667 0.387 . . . . 73.099999999999994 110.129 -167.698 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.6 -17.63 5.3 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 120.589 -0.815 . . . . 61.240000000000002 113.499 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t 64.07 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.495 0.664 . . . . 75.519999999999996 112.577 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -74.67 -11.38 60.17 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.701 0.63 . . . . 73.099999999999994 112.701 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -159.11 136.24 9.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.79 0.328 . . . . 72.519999999999996 111.573 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' TRP . . . . . 0.421 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 64.1 p-90 -147.89 137.39 22.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.001 0.429 . . . . 73.129999999999995 111.781 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -123.34 138.27 54.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.362 -0.381 . . . . 72.430000000000007 111.255 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -83.92 128.89 34.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.525 -0.307 . . . . 72.299999999999997 110.648 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.52 146.02 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.592 0.71 . . . . 62.509999999999998 112.238 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.043 -0.526 . . . . 73.5 110.804 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.01 -33.31 75.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.381 0.61 . . . . 62.350000000000001 109.978 172.378 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.83 -21.65 64.82 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.675 -0.693 . . . . 73.510000000000005 111.759 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -85.68 -0.4 55.05 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.913 0.338 . . . . 65.409999999999997 111.913 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.32 123.52 52.39 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.099 0.407 . . . . 71.409999999999997 112.099 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 156.3 21.17 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.262 1.974 . . . . 54.420000000000002 112.271 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.41 28.41 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.977 0.417 . . . . 63.420000000000002 111.733 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.32 -24.64 29.96 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.549 0.574 . . . . 74.319999999999993 112.549 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.51 -42.86 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.38 0.61 . . . . 62.219999999999999 110.688 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -79.65 -16.21 56.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.13 -0.486 . . . . 70.310000000000002 111.737 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.462 ' C ' ' HD2' ' A' ' 93' ' ' LYS . 86.2 mt-10 -60.54 -20.16 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.995 0.426 . . . . 72.450000000000003 111.012 171.404 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 10.0 mptt -109.98 -45.59 3.6 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.787 -0.642 . . . . 74.310000000000002 110.584 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.6 mp -96.34 90.78 5.56 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.405 -0.362 . . . . 74.140000000000001 111.257 177.402 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.61 -45.84 1.16 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.147 -0.549 . . . . 74.150000000000006 113.322 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.559 HG13 ' H ' ' A' ' 98' ' ' LEU . 26.2 t -113.95 152.56 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 122.505 0.322 . . . . 75.519999999999996 110.836 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' LYS . . . . . 0.409 ' HD2' ' C ' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -123.22 -3.29 8.49 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.094 0.405 . . . . 74.430000000000007 112.094 175.55 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.559 ' H ' HG13 ' A' ' 96' ' ' VAL . 5.3 mp 58.41 101.19 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.122 0.487 . . . . 53.409999999999997 111.316 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -116.49 -42.52 3.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.193 0.442 . . . . 61.350000000000001 112.193 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.64 126.45 39.94 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.765 0.317 . . . . 71.450000000000003 110.926 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -158.46 129.33 6.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.478 -0.328 . . . . 70.420000000000002 111.813 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -118.29 175.49 5.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.999 0.428 . . . . 75.019999999999996 111.024 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -99.89 169.31 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.902 0.382 . . . . 60.210000000000001 111.495 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.78 114.33 22.64 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.946 0.403 . . . . 62.030000000000001 110.849 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.577 -0.725 . . . . 64.540000000000006 111.291 -179.457 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.931 0.396 . . . . 73.11 111.854 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.891 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 12.2 m-20 -83.73 153.94 23.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.5 -0.318 . . . . 74.41 110.995 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HG2' ' HE2' ' A' ' 44' ' ' LYS . 13.6 pt-20 -137.91 123.17 19.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.209 0.528 . . . . 62.44 110.399 171.431 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 43' ' ' ASP . 90.0 m-85 -102.95 121.01 41.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 74.52 111.27 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -80.39 100.55 8.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.26 -0.427 . . . . 64.01 110.64 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG12 ' HA2' ' A' ' 41' ' ' GLY . 5.2 m -105.85 165.34 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.224 0.535 . . . . 73.11 111.415 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.24 115.97 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.564 -0.532 . . . . 71.31 109.564 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -65.09 93.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.281 0.562 . . . . 63.53 112.13 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.4 p -98.56 -37.19 9.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.572 -0.74 . . . . 55.01 111.233 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.2 m -89.61 119.5 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.194 0.521 . . . . 74.54 111.252 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -131.67 160.83 34.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.397 0.517 . . . . 75.51 112.397 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.69 9.85 70.55 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 116.097 1.199 . . . . 75.33 116.097 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 91.4 mttt -71.75 86.56 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.144 0.972 . . . . 74.13 112.013 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.98 109.2 16.87 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.102 0.477 . . . . 73.3 111.035 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 22' ' ' VAL . 19.9 m -88.89 86.99 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 122.094 0.95 . . . . 72.2 111.323 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 N--CA 1.473 0.698 0 CA-C-N 115.54 -0.754 . . . . 72.14 111.865 -178.475 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 p90 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.051 0.453 . . . . 71.23 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -135.59 131.5 35.96 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.322 -0.399 . . . . 74.05 111.896 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.65 159.86 19.72 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.076 -0.342 . . . . 61.15 110.076 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 96.2 m-85 -108.18 139.61 42.6 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.203 -0.311 . . . . 72.3 111.37 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -102.56 125.28 49.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.848 0.356 . . . . 73.43 111.625 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.46 89.31 3.07 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.399 -0.364 . . . . 75.22 110.88 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.05 121.56 42.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.422 -0.354 . . . . 74.12 110.658 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.74 176.54 12.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.477 0.547 . . . . 73.13 112.477 -172.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.6 m -93.91 117.85 30.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 63.12 111.155 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -98.27 133.84 11.48 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.212 -0.518 . . . . 45.14 113.13 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.96 116.54 32.74 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.78 0.324 . . . . 63.22 111.181 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -82.19 -179.86 7.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.691 0.626 . . . . 72.02 112.691 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' A' ' 10' ' ' GLU . 68.6 mttm -66.04 -33.39 75.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.828 -0.624 . . . . 64.1 111.91 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.6 -50.57 62.6 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.333 0.587 . . . . 72.05 110.567 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.84 41.01 0.47 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.809 -0.632 . . . . 65.02 112.764 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -106.28 -179.28 3.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.907 0.384 . . . . 61.32 110.804 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -119.04 107.61 13.72 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.112 0.482 . . . . 73.5 110.961 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -98.34 135.76 39.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.311 -0.404 . . . . 70.25 110.984 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -95.11 117.64 30.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.37 -0.234 . . . . 74.24 110.37 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.2 pt? -141.5 140.59 33.54 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.214 0.53 . . . . 75.11 111.806 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.36 110.35 13.26 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.929 -0.578 . . . . 72.14 110.255 174.063 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -109.19 135.26 50.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.141 0.496 . . . . 71.15 110.959 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 34.5 p -99.25 131.11 45.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.993 -0.548 . . . . 74.44 111.032 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.78 47.7 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.265 -0.425 . . . . 72.51 111.502 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -35.81 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.071 0.462 . . . . 73.23 110.707 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 57' ' ' LYS . 47.6 mtpt -110.28 160.83 16.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.387 -0.37 . . . . 50.01 111.371 177.04 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -85.21 123.26 30.5 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.559 -0.534 . . . . 64.42 109.559 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.08 -174.52 3.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.981 0.734 . . . . 71.03 112.981 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -75.19 111.52 10.53 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.365 0.602 . . . . 73.11 112.51 -174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -78.81 157.4 28.41 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.661 -0.7 . . . . 72.34 111.518 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 43.2 tt0 68.56 2.52 3.42 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.036 0.535 . . . . 72.34 112.066 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.63 163.58 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.93 -0.482 . . . . 73.22 111.936 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.32 109.88 22.31 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 61.4 109.862 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 78' ' ' TRP . 2.7 tt -102.26 123.21 45.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.002 0.43 . . . . 73.14 111.086 -171.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -87.98 105.43 17.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.403 -0.362 . . . . 72.25 110.658 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.71 121.97 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.111 0.412 . . . . 45.54 112.111 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.48 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -72.84 149.47 43.54 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.832 0.349 . . . . 71.2 111.135 176.393 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.891 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 53.4 t-80 -142.26 135.87 29.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.246 0.546 . . . . 55.35 112.192 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -144.75 147.11 32.56 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.954 -0.566 . . . . 64.53 110.082 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.18 -38.09 76.02 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.658 0.985 . . . . 74.32 113.658 -172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -74.82 -13.01 60.52 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.414 1.264 . . . . 73.44 114.414 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -151.2 2.82 0.43 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.412 -0.805 . . . . 73.15 112.907 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 71.71 -82.15 0.5 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.973 -0.632 . . . . 52.31 113.387 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.12 147.07 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 120.934 0.397 . . . . 43.53 111.769 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.436 ' HB2' ' HE2' ' A' ' 68' ' ' TYR . 48.9 m -151.43 -60.45 0.17 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.131 0.491 . . . . 73.1 111.327 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 68' ' ' TYR . . . -101.57 145.51 28.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.962 0.41 . . . . 64.05 111.819 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.545 ' HB2' HD21 ' A' ' 65' ' ' LEU . 40.0 p-90 -160.85 151.46 18.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.322 -0.399 . . . . 73.04 111.55 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -132.44 147.85 52.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.506 0.67 . . . . 72.04 112.443 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -96.27 119.56 34.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.443 -0.799 . . . . 74.13 111.394 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.86 177.28 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.442 0.639 . . . . 72.42 111.926 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -118.67 162.79 17.82 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.006 -0.543 . . . . 75.2 110.514 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.91 62.55 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.834 0.35 . . . . 71.11 111.892 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.6 -33.74 64.73 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.01 0.433 . . . . 72.03 111.208 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.21 -26.34 39.2 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.116 -0.493 . . . . 64.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.35 154.73 86.04 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.537 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.28 140.41 88.38 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.386 2.057 . . . . 74.33 112.469 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.26 46.67 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.926 0.393 . . . . 73.0 111.654 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.37 -29.93 59.39 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.158 -0.474 . . . . 70.34 111.814 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.28 -38.13 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.051 0.453 . . . . 74.43 110.792 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 CA--C 1.539 0.524 0 CA-C-N 116.001 -0.545 . . . . 73.4 110.741 176.369 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 15.9 tptm . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 110.576 -0.157 . . . . 73.35 110.576 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.55 106.46 3.47 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.873 -0.517 . . . . 73.2 111.343 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 118.79 36.19 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.455 0.645 . . . . 55.45 110.652 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -93.48 139.62 30.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.0 -0.546 . . . . 71.25 111.315 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.04 100.21 12.68 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.773 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.92 162.31 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.953 0.406 . . . . 62.45 111.354 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -133.7 143.14 48.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.514 -0.312 . . . . 71.54 110.457 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 39' ' ' LEU . 40.2 mm -69.72 92.96 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 121.206 0.527 . . . . 70.02 112.05 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 p -86.82 -65.47 1.01 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.331 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -95.76 109.39 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 121.291 0.567 . . . . 60.41 111.819 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.89 -178.75 3.44 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.256 0.55 . . . . 73.11 111.971 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.9 7.94 63.11 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 121.158 -0.544 . . . . 61.4 114.016 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 65.1 mttm -80.04 155.39 27.61 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.99 0.395 . . . . 51.23 110.983 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.13 147.45 36.72 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.969 0.414 . . . . 54.42 111.842 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.9 m -92.35 81.49 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 122.041 0.924 . . . . 71.43 110.594 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.524 -0.762 . . . . 63.11 111.621 -175.822 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 120.839 0.352 . . . . 75.21 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -142.96 113.81 7.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.507 -0.315 . . . . 74.33 110.864 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 22' ' ' VAL . 26.2 m-20 -86.37 149.19 25.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.888 0.375 . . . . 73.3 110.582 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.27 154.02 33.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.357 0.599 . . . . 71.14 111.992 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 37.4 tt0 -119.89 131.97 55.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.747 -0.661 . . . . 75.12 111.21 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HE2' ' HB3' ' A' ' 55' ' ' ALA . 97.5 m-85 -123.28 103.91 8.81 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.826 0.346 . . . . 70.22 111.073 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -95.25 87.19 4.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.124 0.488 . . . . 53.0 110.443 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 15' ' ' ILE . 35.4 mt -106.06 162.03 13.97 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.183 0.516 . . . . 73.31 112.176 -173.797 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -109.67 117.4 33.81 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.323 -0.399 . . . . 74.14 111.024 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.92 130.3 10.19 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.34 -0.457 . . . . 61.21 112.851 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -90.68 132.32 35.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.172 0.51 . . . . 64.31 111.689 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.536 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 30.2 t70 -77.71 168.15 20.42 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.849 -0.614 . . . . 75.54 111.842 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.31 -30.01 68.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.077 -0.511 . . . . 70.45 112.363 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.43 -8.65 50.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.246 0.546 . . . . 72.3 110.888 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.39 25.1 8.42 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.152 -0.476 . . . . 41.42 113.681 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.536 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 66.8 mmtt -89.5 173.43 8.34 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.182 -0.599 . . . . 73.21 111.485 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -108.93 129.98 55.44 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.309 0.485 . . . . 71.13 112.309 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.25 140.53 47.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.303 -0.408 . . . . 75.42 110.396 172.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.23 113.47 20.07 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.032 0.444 . . . . 73.34 111.803 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.587 HD12 HG11 ' A' ' 67' ' ' VAL . 4.1 mm? -99.55 82.8 2.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.492 0.663 . . . . 50.45 110.203 173.063 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.43 99.27 9.1 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.736 -0.666 . . . . 54.12 110.477 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -128.25 173.03 10.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.496 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.5 p -121.72 158.37 28.9 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.306 0.575 . . . . 75.22 112.305 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB3' ' HE2' ' A' ' 37' ' ' TYR . . . -147.37 137.47 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 74.55 110.005 176.217 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.16 -34.58 77.86 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.193 -0.317 . . . . 71.23 111.841 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -129.0 153.6 47.42 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.934 0.397 . . . . 72.4 111.36 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.71 133.14 48.78 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.248 -0.433 . . . . 61.43 111.372 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 pp -105.15 -165.24 1.11 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.262 -0.426 . . . . 74.41 112.05 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -61.42 115.84 4.2 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.854 0.359 . . . . 74.34 111.775 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 48.0 mtpt -69.98 -50.39 42.19 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.442 0.534 . . . . 71.34 112.442 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.42 21.07 7.51 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.401 0.519 . . . . 63.31 112.401 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.15 179.76 4.17 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.864 0.364 . . . . 75.03 111.393 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.553 ' HB2' HG23 ' A' ' 81' ' ' VAL . 69.7 m-85 -113.38 161.93 16.7 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.411 -0.359 . . . . 75.32 110.779 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 80' ' ' GLU . 87.6 mt -130.75 123.79 29.99 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.886 0.374 . . . . 75.4 111.859 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -81.99 91.39 6.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.843 0.354 . . . . 70.04 110.366 171.028 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.587 HG11 HD12 ' A' ' 51' ' ' LEU . 60.0 t -85.12 129.21 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.031 0.443 . . . . 72.32 111.327 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' HD2' ' H ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -69.18 137.63 53.44 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.181 0.515 . . . . 72.31 111.656 177.971 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.73 147.57 37.61 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.02 -0.537 . . . . 74.01 110.722 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 m -146.45 -169.11 3.19 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.786 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.38 -34.05 64.0 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.162 0.506 . . . . 71.14 111.119 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -69.17 -14.8 63.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.855 0.687 . . . . 64.03 112.855 178.64 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.6 ttmt 67.28 -72.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.148 -0.686 . . . . 72.24 109.148 -164.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.63 -79.76 0.01 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.665 1.026 . . . . 43.4 115.665 168.346 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.7 t 68.22 102.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.0 0.52 . . . . 71.02 110.985 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.497 ' H ' ' HD2' ' A' ' 68' ' ' TYR . 93.0 p -123.57 -42.08 2.23 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.198 0.444 . . . . 74.41 112.198 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.6 148.22 51.47 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.548 0.573 . . . . 54.03 112.548 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -147.93 152.35 37.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.867 -0.606 . . . . 73.01 111.496 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -126.78 149.57 49.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.888 0.375 . . . . 73.11 111.608 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.503 ' HA ' HD23 ' A' ' 65' ' ' LEU . 52.0 mt-10 -85.02 108.31 17.56 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.949 -0.569 . . . . 71.43 111.254 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.553 HG23 ' HB2' ' A' ' 64' ' ' PHE . 35.4 m -112.18 171.83 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 121.113 0.482 . . . . 63.24 111.578 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -118.2 167.09 11.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.391 0.615 . . . . 74.23 112.589 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -60.7 -14.6 21.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.722 -0.672 . . . . 74.5 112.47 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.46 -37.71 78.86 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.303 0.483 . . . . 70.31 112.303 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 10.4 pt-20 -93.41 3.69 55.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.829 0.347 . . . . 63.41 111.687 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.534 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 80.2 mt -136.51 52.96 6.74 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-N 116.399 -0.364 . . . . 64.33 111.79 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.534 ' HD3' ' N ' ' A' ' 86' ' ' LEU . 8.6 Cg_exo -72.08 172.17 15.27 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.309 2.006 . . . . 72.22 113.243 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.56 -37.21 62.68 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.476 0.547 . . . . 44.34 112.476 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' HE2' ' HG2' ' A' ' 87' ' ' PRO . 61.2 pttt -58.12 -24.41 58.66 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.261 0.467 . . . . 60.02 112.261 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 87.7 t -77.97 -56.07 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.96 0.41 . . . . 73.11 110.988 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 116.271 -0.422 . . . . 60.45 111.566 178.391 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.531 0.681 . . . . 72.03 112.657 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.632 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 71.4 m-20 -108.48 133.87 52.04 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.166 0.508 . . . . 74.04 110.861 173.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -126.12 102.34 7.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.586 0.708 . . . . 75.12 111.098 -174.799 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 90.9 m-85 -92.46 104.18 16.52 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.927 -0.483 . . . . 73.23 110.548 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -87.11 101.6 13.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.11 0.481 . . . . 71.24 111.028 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' CG1' ' HA2' ' A' ' 41' ' ' GLY . 36.0 m -123.85 173.86 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 74.32 111.912 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -122.22 170.08 10.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.931 0.396 . . . . 74.01 110.714 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -70.55 90.89 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.132 0.491 . . . . 72.44 112.035 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -80.41 -67.3 0.78 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.266 -0.424 . . . . 43.22 110.9 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.17 119.72 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.191 0.519 . . . . 74.22 111.288 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -130.39 160.69 33.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.111 0.482 . . . . 71.01 111.882 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.45 68.09 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 114.581 0.593 . . . . 44.15 114.581 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 36' ' ' GLU . 66.0 tttm -70.28 91.29 0.73 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 117.697 0.749 . . . . 63.44 110.431 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -79.29 96.48 5.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.949 -0.569 . . . . 65.32 111.501 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 34' ' ' ASP . 17.1 m -75.08 78.95 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.274 1.035 . . . . 74.43 110.801 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.6 t60 . . . . . 0 CA--C 1.541 0.619 0 CA-C-N 114.886 -1.052 . . . . 70.52 111.169 -178.902 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.6 p90 . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 121.19 0.519 . . . . 73.05 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.76 152.76 45.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.874 -0.603 . . . . 74.22 111.646 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' HG23 ' A' ' 22' ' ' VAL . 8.7 m-20 -131.3 150.97 51.93 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.905 -0.589 . . . . 74.44 110.12 173.125 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.28 129.68 52.1 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.617 0.246 . . . . 75.11 111.381 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HB3' ' HD3' ' A' ' 20' ' ' LYS . 42.0 tt0 -100.56 127.42 46.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.88 0.372 . . . . 74.31 111.343 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.8 94.5 4.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 72.05 111.287 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 87.9 tttt -94.82 93.01 7.23 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.231 0.538 . . . . 74.14 109.809 173.386 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -104.55 146.7 28.52 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 73.34 111.62 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 84.9 m -82.65 99.61 9.69 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.997 0.427 . . . . 74.44 111.618 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 13' ' ' VAL . . . -88.25 130.47 10.13 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 116.239 -0.437 . . . . 54.24 113.085 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -90.36 117.42 29.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.325 0.583 . . . . 65.33 111.352 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.38 164.87 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.665 -0.698 . . . . 41.33 111.84 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.632 ' NZ ' ' HA ' ' A' ' 9' ' ' ASP . 63.1 mttp -55.93 -34.31 65.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.144 0.424 . . . . 70.22 112.144 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -76.86 0.96 18.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.201 0.445 . . . . 61.1 112.201 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.46 5.18 79.46 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.393 -0.432 . . . . 54.44 112.815 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -74.44 156.86 36.52 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.622 -0.34 . . . . 70.11 111.688 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.99 102.29 10.78 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.562 0.696 . . . . 71.35 111.073 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -105.98 145.09 31.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.816 -0.629 . . . . 64.42 110.928 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.48 115.99 28.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.461 0.648 . . . . 71.1 111.713 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.2 mm? -101.63 105.49 16.43 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.253 -0.43 . . . . 73.53 110.663 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 9.5 pt-20 -98.48 117.29 32.59 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.139 0.495 . . . . 64.54 111.531 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.001 0.429 . . . . 73.23 111.34 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -89.35 143.99 26.41 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.202 0.525 . . . . 75.23 111.451 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.77 165.53 19.11 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.463 0.649 . . . . 65.4 112.045 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.51 -25.39 31.11 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.501 -0.772 . . . . 71.42 112.605 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.543 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 7.9 mtpm? -138.09 170.84 15.33 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.084 0.469 . . . . 70.11 111.938 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -72.26 103.39 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.807 -0.633 . . . . 64.31 109.601 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.28 149.54 45.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.796 0.331 . . . . 61.02 111.474 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 60' ' ' ARG . 54.1 mtt180 -57.15 109.68 0.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.553 0.575 . . . . 75.51 112.553 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 28.4 mtpp -61.29 137.72 58.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.323 -0.399 . . . . 75.1 110.769 175.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 51.8 mm-40 73.72 10.63 4.74 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.459 0.703 . . . . 64.1 112.829 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.92 155.73 16.64 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.804 0.335 . . . . 65.43 110.875 173.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -101.22 117.42 34.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.163 0.506 . . . . 32.31 111.559 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.517 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 92.3 mt -93.04 119.6 32.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.244 -0.434 . . . . 62.43 111.711 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 42.9 ttm180 -82.04 90.29 6.5 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.384 -0.371 . . . . 71.33 110.08 173.211 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 11' ' ' TYR . 59.6 t -84.6 123.18 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.576 0.703 . . . . 74.41 111.928 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.59 126.66 35.39 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.105 -0.952 . . . . 73.41 111.404 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 11.7 t-160 -74.56 121.32 21.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.995 -0.548 . . . . 70.41 110.876 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.1 t -129.59 177.21 7.38 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.103 0.478 . . . . 73.51 112.126 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.9 -54.39 3.35 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.854 -0.612 . . . . 70.14 112.02 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -48.94 -41.04 32.54 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.883 1.068 . . . . 74.44 113.883 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -150.77 28.28 0.7 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.483 0.659 . . . . 53.2 111.05 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 -47.95 2.66 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.081 -0.581 . . . . 74.21 113.11 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.31 146.31 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 120.907 0.384 . . . . 71.2 110.876 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.6 t -135.88 -35.94 0.77 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.116 0.484 . . . . 71.43 111.255 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.4 146.62 42.44 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.381 -0.372 . . . . 70.34 111.678 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.452 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 63.4 p-90 -151.78 144.44 24.28 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.023 0.439 . . . . 75.31 111.289 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 37.9 mt-10 -115.32 143.24 45.57 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.032 0.444 . . . . 72.32 111.191 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HA ' HD23 ' A' ' 65' ' ' LEU . 42.6 tt0 -101.25 91.94 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 74.53 110.242 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 85' ' ' GLU . 30.3 m -112.89 176.02 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.365 0.602 . . . . 75.33 112.436 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -119.1 170.12 9.34 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.935 -0.575 . . . . 75.41 112.078 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.74 -21.9 63.47 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 112.099 0.407 . . . . 64.35 112.099 178.882 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.15 -24.16 66.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.27 0.557 . . . . 75.22 110.812 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 26.9 mm-40 -86.42 -51.17 6.38 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.873 -0.603 . . . . 63.14 111.034 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HB3' HG21 ' A' ' 90' ' ' VAL . 82.9 mt -93.78 114.91 64.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.946 -0.57 . . . . 71.15 111.822 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.32 162.21 31.24 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.403 2.069 . . . . 61.03 113.035 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -21.47 4.0 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.624 0.602 . . . . 70.14 112.624 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -45.55 -32.25 2.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.704 0.402 . . . . 63.41 111.804 176.066 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 86' ' ' LEU . 67.4 t -60.53 -59.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 62.22 111.374 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.355 0.502 . . . . 64.4 112.355 -176.41 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 9' ' ' ASP . 13.9 mptt . . . . . 0 CA--C 1.554 1.11 0 N-CA-C 110.175 -0.306 . . . . 74.33 110.175 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 4.7 m-20 -69.82 143.43 52.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.645 -0.659 . . . . 74.41 111.623 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HG2' HH21 ' A' ' 66' ' ' ARG . 7.1 tp10 -126.81 107.81 10.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.353 -0.385 . . . . 62.21 110.92 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HB2' HG23 ' A' ' 67' ' ' VAL . 9.3 m-85 -96.17 129.79 43.39 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.139 0.495 . . . . 72.31 111.796 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -100.29 101.91 13.03 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.076 -0.511 . . . . 75.33 111.568 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.87 -179.56 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 116.429 -0.35 . . . . 72.12 111.586 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -134.71 160.65 37.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.807 0.337 . . . . 53.42 111.097 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.9 107.3 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 121.141 0.496 . . . . 74.05 111.986 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 p -86.99 -64.56 1.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.102 -0.499 . . . . 73.15 111.631 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -128.66 137.67 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 120.928 0.394 . . . . 65.54 111.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -131.02 -173.94 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.175 0.512 . . . . 64.45 111.44 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.4 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.603 0.601 . . . . 65.23 114.603 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 47.6 mtpt -70.62 90.47 0.76 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.765 0.783 . . . . 74.4 110.365 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 9.8 pt-20 -82.1 108.33 15.49 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.706 0.765 . . . . 73.25 112.048 -175.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 22' ' ' VAL . 22.6 m -89.26 100.24 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.928 0.87 . . . . 72.44 111.373 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 m170 . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 115.415 -0.811 . . . . 74.33 111.443 174.674 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.4 p90 . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 112.27 0.471 . . . . 71.11 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -128.74 161.47 29.65 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.014 0.746 . . . . 74.32 113.014 -170.456 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 14.6 m-20 -130.58 145.08 51.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.193 -0.912 . . . . 65.32 109.777 166.521 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -84.31 115.33 22.43 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.632 0.253 . . . . 52.11 111.504 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.68 136.34 37.42 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.125 0.417 . . . . 74.21 112.125 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 92.7 m-85 -126.66 100.21 6.11 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.077 -0.51 . . . . 72.53 110.544 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HG2' ' HB3' ' A' ' 52' ' ' GLU . 13.9 tmtt? -110.65 124.12 51.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.098 -0.501 . . . . 71.51 110.158 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.81 165.71 35.69 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.381 0.61 . . . . 75.01 112.597 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.2 m -90.02 115.95 27.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.25 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.79 109.94 3.42 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.157 -0.544 . . . . 63.4 112.775 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.3 p90 -110.8 122.36 47.64 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.154 0.502 . . . . 61.13 111.68 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 28.0 t70 -156.13 -176.57 6.03 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.81 -0.632 . . . . 75.34 110.563 -173.852 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' H ' ' CG ' ' A' ' 43' ' ' ASP . 34.0 tptt 82.22 -61.86 0.16 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.847 0.859 . . . . 74.32 111.385 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.63 35.04 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.434 0.635 . . . . 72.22 111.081 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.75 44.17 6.53 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.059 -0.591 . . . . 65.43 113.761 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 91.6 mttt -124.51 144.93 49.84 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.49 -0.418 . . . . 73.32 110.444 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -94.93 140.86 29.35 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.043 0.449 . . . . 75.12 111.353 -175.434 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -138.27 149.0 45.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.065 0.459 . . . . 63.32 111.327 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.0 108.98 18.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.043 0.449 . . . . 63.5 111.715 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.7 133.37 55.93 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.881 0.372 . . . . 75.53 111.012 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB3' ' HG2' ' A' ' 38' ' ' LYS . 10.4 pt-20 -150.4 114.41 5.07 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.333 0.587 . . . . 73.54 111.678 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -125.67 159.5 32.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.142 -0.481 . . . . 74.12 111.189 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 71.7 p -116.33 118.69 33.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.08 0.467 . . . . 74.21 112.256 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.66 146.16 25.6 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.029 0.443 . . . . 72.15 111.507 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.91 -24.22 59.66 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.215 0.531 . . . . 73.21 111.431 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -120.77 150.09 41.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.01 -0.541 . . . . 72.01 110.532 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.67 115.49 10.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.977 0.418 . . . . 73.42 110.031 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -78.43 -174.04 3.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.15 -0.477 . . . . 74.22 112.21 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 92.6 mtt180 -57.7 178.16 0.09 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.237 0.541 . . . . 73.51 111.596 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 61' ' ' LYS . 2.7 mptp? -120.16 -72.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.105 -0.372 . . . . 74.41 110.809 173.176 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.21 73.67 5.8 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.548 0.69 . . . . 65.51 110.975 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.2 165.09 22.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 42.03 111.16 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -103.12 163.06 12.45 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.545 0.688 . . . . 75.33 111.958 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 78' ' ' TRP . 3.5 tt -148.14 126.44 12.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.6 -0.727 . . . . 65.05 109.588 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.559 HH21 ' HG2' ' A' ' 10' ' ' GLU . 77.5 mtp180 -88.97 121.93 31.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.619 -0.264 . . . . 74.42 110.447 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 11' ' ' TYR . 28.3 m -112.62 120.06 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 122.202 1.001 . . . . 72.2 112.022 -176.124 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 24.2 t80 -69.92 99.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.33 -1.305 . . . . 73.31 111.655 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 38.3 t-80 -80.1 98.25 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.0 0.428 . . . . 72.12 111.391 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 t -99.05 154.0 18.44 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.071 -0.513 . . . . 54.01 110.338 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.94 -16.4 50.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.809 0.67 . . . . 74.32 112.809 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.92 -10.89 60.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.0 0.37 . . . . 74.54 112.0 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 67.35 178.62 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.166 0.507 . . . . 63.35 112.01 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.64 1.52 53.55 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.092 -0.504 . . . . 72.14 113.795 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.1 t 66.4 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.655 0.74 . . . . 62.54 112.222 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.45 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 45.2 t -81.63 -37.56 27.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.016 -0.538 . . . . 75.33 111.477 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -154.57 157.51 38.37 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.463 -0.335 . . . . 73.54 111.001 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.55 ' HB2' HD21 ' A' ' 65' ' ' LEU . 66.1 p-90 -136.25 119.42 16.6 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.062 0.458 . . . . 75.41 111.272 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.87 125.8 52.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.892 0.377 . . . . 75.21 110.673 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -88.06 121.37 30.39 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.78 0.324 . . . . 61.25 111.307 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.04 -178.5 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 121.572 0.701 . . . . 54.31 112.817 -173.258 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -115.33 167.29 10.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.835 -0.621 . . . . 74.22 110.783 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -70.02 -20.86 63.24 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.185 0.439 . . . . 72.24 112.185 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.28 -21.35 64.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.029 0.442 . . . . 75.5 111.5 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -96.06 4.85 52.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.987 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.0 mt -101.41 150.2 37.01 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.348 -0.387 . . . . 74.12 111.049 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HG2' HG23 ' A' ' 90' ' ' VAL . 15.8 Cg_endo -57.54 143.04 95.53 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.278 1.985 . . . . 51.23 112.289 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.35 61.67 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.299 0.481 . . . . 65.1 112.299 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . 40.3 mmtm -56.3 -35.45 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.234 0.457 . . . . 70.01 112.234 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 87' ' ' PRO . 66.6 t -68.3 -40.43 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.077 0.465 . . . . 52.34 111.333 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 115.975 -0.557 . . . . 71.21 111.608 -178.83 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 11.2 mmpt? . . . . . 0 CA--C 1.539 0.542 0 CA-C-O 120.697 0.284 . . . . 52.23 111.328 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 69' ' ' HIS . 18.8 m-20 -75.17 112.37 11.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.692 0.282 . . . . 62.22 111.721 175.163 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 66' ' ' ARG . 13.0 pt-20 -106.61 120.73 42.74 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.174 0.511 . . . . 74.33 111.256 176.171 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -116.82 134.51 54.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.292 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.16 100.44 12.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.062 0.458 . . . . 73.53 110.919 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.42 141.18 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 120.862 0.363 . . . . 62.23 111.853 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.3 pt20 -92.19 139.19 30.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.761 0.315 . . . . 63.23 110.904 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.671 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 22.3 mm -66.14 125.24 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.04 0.448 . . . . 72.33 111.023 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.8 p -84.52 -71.18 0.53 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.986 -0.552 . . . . 72.44 111.897 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.6 148.66 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.916 0.389 . . . . 61.1 111.51 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.2 172.3 11.95 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.156 0.503 . . . . 42.35 111.513 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.51 7.29 64.14 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.821 0.689 . . . . 61.41 114.821 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.09 91.01 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.77 0.785 . . . . 64.44 110.878 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.75 138.76 46.7 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.057 0.456 . . . . 54.23 111.76 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.1 m -80.3 64.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.642 0.735 . . . . 45.11 111.183 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 CA--C 1.548 0.894 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.922 -177.868 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.236 0.382 0 CA-C-O 120.706 0.288 . . . . 71.45 110.559 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -147.12 80.94 1.53 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.507 0.558 . . . . 65.13 112.507 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -115.39 144.71 43.39 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.709 -0.478 . . . . 74.21 109.709 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -81.04 132.48 35.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.166 0.508 . . . . 72.33 112.036 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 54' ' ' THR . 33.1 tt0 -87.17 124.36 33.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.595 -0.73 . . . . 74.13 111.518 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 98.6 m-85 -120.64 108.04 13.54 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.985 0.422 . . . . 75.11 111.595 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -117.86 116.09 26.27 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.007 -0.542 . . . . 70.04 110.562 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.62 154.7 43.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.012 0.434 . . . . 54.44 112.155 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.7 m -108.7 123.55 49.17 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.969 0.414 . . . . 73.45 111.863 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.17 126.95 8.93 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 116.332 -0.394 . . . . 42.14 112.662 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -103.25 106.26 16.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.757 0.313 . . . . 52.25 111.158 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -163.08 174.1 12.67 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.649 -0.25 . . . . 74.03 110.937 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 40.8 ttmt 61.02 70.85 0.59 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.351 0.596 . . . . 73.41 111.131 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 65.75 18.99 11.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.69 -0.686 . . . . 72.24 112.679 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.88 17.47 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.228 -0.511 . . . . 53.45 114.122 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 75.9 mmtt -69.47 121.36 16.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.149 0.475 . . . . 61.42 110.883 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.81 102.61 13.72 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.459 0.647 . . . . 72.45 110.872 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 tptp -104.46 131.22 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 70.34 111.091 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 95.65 10.35 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.367 0.603 . . . . 72.35 110.615 172.392 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 67' ' ' VAL . 3.9 mp -88.08 144.3 26.58 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 73.24 111.219 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -134.61 129.57 35.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.988 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 21.1 p90 -150.97 130.4 12.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.302 -0.408 . . . . 74.5 111.302 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 36' ' ' GLU . 44.6 p -100.14 129.73 46.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 72.12 111.616 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.41 144.79 42.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.312 -0.403 . . . . 73.13 111.751 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -64.16 -28.69 69.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.109 0.411 . . . . 72.4 112.109 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -134.87 156.87 48.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.865 0.364 . . . . 75.34 111.76 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -58.88 120.45 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.814 0.672 . . . . 55.0 112.814 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.1 mt -85.59 170.51 12.51 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.087 -0.506 . . . . 63.21 110.764 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -88.04 133.66 33.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.979 0.418 . . . . 73.45 110.959 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.76 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -100.92 170.52 8.24 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.15 0.426 . . . . 72.34 112.15 -174.542 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 74.33 -43.74 0.54 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.42 0.688 . . . . 74.43 111.47 -175.386 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.12 30.46 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.001 0.429 . . . . 71.24 111.538 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 56.5 m-85 -100.38 157.54 16.55 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.261 0.553 . . . . 71.51 112.186 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 15' ' ' ILE . 2.8 mp -131.4 145.37 51.78 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.08 -0.509 . . . . 61.34 110.39 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HG3' ' HB2' ' A' ' 10' ' ' GLU . 39.2 ttm180 -81.44 98.28 8.16 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.651 -0.5 . . . . 61.42 109.651 170.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 51' ' ' LEU . 22.1 m -88.79 125.42 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.944 0.878 . . . . 74.22 111.867 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.424 ' HE1' ' HD3' ' A' ' 8' ' ' LYS . 28.7 t80 -69.51 99.6 1.28 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.519 -1.219 . . . . 70.5 110.572 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.485 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 13.0 t-80 -78.06 109.98 12.61 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.878 -0.601 . . . . 55.02 111.94 -177.807 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -125.11 132.69 53.08 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.643 -0.708 . . . . 63.02 110.95 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.43 -17.33 12.54 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.015 0.376 . . . . 72.34 112.015 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -56.67 -62.48 1.7 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 111.997 0.369 . . . . 74.52 111.997 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.12 19.86 2.61 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.832 0.825 . . . . 74.31 111.376 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.22 -67.09 2.81 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 121.124 -0.56 . . . . 34.34 112.577 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.52 110.86 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 120.823 0.344 . . . . 50.51 111.387 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.7 m -103.65 -6.74 21.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.861 0.362 . . . . 50.24 111.372 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.88 151.0 23.12 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.602 -0.272 . . . . 54.34 111.418 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.5 ' HB3' HG12 ' A' ' 67' ' ' VAL . 14.2 p-90 -156.73 141.33 16.82 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.832 0.349 . . . . 72.31 111.912 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -136.72 147.72 46.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.398 -0.365 . . . . 74.54 111.135 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.18 139.86 37.88 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.846 0.684 . . . . 73.34 112.846 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.72 127.27 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.136 0.575 . . . . 73.4 110.667 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -73.87 134.49 43.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.801 -0.562 . . . . 70.24 111.656 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.66 -18.48 59.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 73.31 111.707 -177.181 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.76 -20.35 65.94 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.272 0.471 . . . . 72.03 112.272 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.5 5.64 14.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.461 0.541 . . . . 71.34 112.461 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 83' ' ' LYS . 10.9 mp -78.82 143.09 61.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-O 120.657 0.265 . . . . 71.12 111.337 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.414 ' O ' HG12 ' A' ' 90' ' ' VAL . 24.8 Cg_endo -59.81 142.65 99.03 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.992 2.461 . . . . 61.23 113.771 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.53 69.78 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.783 0.661 . . . . 44.35 112.783 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.415 ' HD3' ' H ' ' A' ' 89' ' ' LYS . 4.1 mppt? -60.48 -35.5 76.06 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.379 0.511 . . . . 42.21 112.379 -176.588 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 87' ' ' PRO . 12.9 p -82.71 -33.62 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 120.969 0.414 . . . . 42.42 110.955 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 6.0 tmtm? . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 121.209 0.528 . . . . 74.24 110.136 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 21.3 pttp . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.819 0.674 . . . . 73.03 112.819 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -168.69 -179.58 3.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 64.42 110.48 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.91 114.17 20.1 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.007 0.432 . . . . 52.2 111.115 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.695 ' HE1' ' HB2' ' A' ' 69' ' ' HIS . 79.0 m-85 -92.2 136.14 33.43 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 122.219 -0.3 . . . . 74.43 110.944 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.75 100.17 11.73 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.07 0.462 . . . . 71.12 110.709 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -120.88 148.14 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 112.371 0.508 . . . . 73.32 112.371 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.56 148.05 22.44 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.67 -0.493 . . . . 74.45 109.67 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mm -65.6 93.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 73.32 111.847 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -80.23 -59.73 2.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.429 . . . . 75.02 111.558 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.46 125.44 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 121.106 0.479 . . . . 62.15 111.892 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -131.28 164.97 24.42 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.143 0.497 . . . . 63.43 111.997 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.89 9.18 65.61 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 114.794 0.678 . . . . 73.21 114.794 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -68.73 95.64 0.68 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.573 0.687 . . . . 70.41 111.519 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 42.9 mt-10 -75.21 106.32 6.67 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.303 0.573 . . . . 73.43 112.144 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 m -84.4 83.91 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.826 0.822 . . . . 53.42 112.634 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.733 ' HB3' ' HD3' ' A' ' 33' ' ' LYS . 33.1 p-80 . . . . . 0 N--CA 1.472 0.638 0 CA-C-N 115.791 -0.641 . . . . 70.3 111.019 173.333 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.727 0.299 . . . . 65.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.733 ' HD3' ' HB3' ' A' ' 23' ' ' HIS . 11.9 pttp -163.57 129.36 3.11 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.218 0.532 . . . . 74.14 112.244 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 4.8 m-20 -86.16 175.32 8.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.903 -0.589 . . . . 72.3 111.163 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -105.27 107.52 18.54 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.985 0.421 . . . . 55.41 111.642 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.28 140.53 40.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.179 0.514 . . . . 72.22 111.679 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 65.7 m-85 -121.9 96.67 5.15 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.079 -0.509 . . . . 71.41 110.678 175.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 52' ' ' GLU . 56.2 tptt -80.53 90.72 5.71 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.679 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -113.51 123.87 51.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.885 0.374 . . . . 71.44 111.735 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.4 m -81.64 114.07 20.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.887 0.375 . . . . 73.51 111.23 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.64 142.37 16.05 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.178 -0.534 . . . . 72.33 113.167 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -105.96 106.46 16.98 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.066 0.46 . . . . 75.42 111.238 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 33.3 t70 -88.81 156.46 18.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.052 -0.522 . . . . 71.54 112.14 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 70.85 -66.6 0.28 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.566 -0.743 . . . . 71.32 111.409 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -154.1 -44.44 0.09 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.767 0.318 . . . . 54.01 111.163 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.94 23.02 0.28 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 120.704 -0.76 . . . . 54.24 114.218 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.673 ' HE2' ' HA ' ' A' ' 47' ' ' LYS . 10.9 mmpt? -91.19 119.36 31.22 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 117.306 0.553 . . . . 74.02 110.351 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -96.78 132.68 42.25 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.118 0.785 . . . . 64.13 113.118 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -128.74 153.06 47.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.569 -0.741 . . . . 73.42 109.752 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -87.67 112.62 22.54 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 120.874 0.369 . . . . 73.05 111.495 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.23 109.15 19.51 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.47 -0.332 . . . . 71.35 110.932 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -120.74 133.56 55.33 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.081 0.467 . . . . 70.11 111.136 178.035 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 49.9 p90 -138.52 156.05 47.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.907 0.385 . . . . 74.51 111.628 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.8 p -100.03 117.33 34.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.995 0.426 . . . . 74.22 111.001 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.26 150.93 22.8 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.283 0.563 . . . . 64.3 112.127 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -66.81 -29.58 69.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.516 -0.765 . . . . 73.31 112.247 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -143.5 165.38 27.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.36 0.6 . . . . 73.12 112.391 -172.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 147.36 48.21 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.714 -0.676 . . . . 65.5 109.942 169.563 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.59 -178.66 3.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.875 0.324 . . . . 61.42 111.875 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 60' ' ' ARG . 5.7 mpt_? -70.13 105.84 3.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.284 0.564 . . . . 64.41 111.448 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.22 -23.51 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.789 -0.641 . . . . 71.31 112.658 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.85 13.65 27.95 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.229 0.455 . . . . 72.33 112.229 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.22 171.25 7.48 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.137 0.494 . . . . 72.14 112.14 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 24.9 m-85 -111.57 133.64 53.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.021 176.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.67 125.16 45.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.253 0.464 . . . . 74.32 112.253 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 14.2 mtp180 -89.54 92.69 9.2 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.805 -0.634 . . . . 75.1 109.996 170.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 11' ' ' TYR . 31.1 m -90.85 145.65 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.776 0.798 . . . . 70.2 112.804 -175.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -88.59 116.89 27.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.669 -1.15 . . . . 65.31 111.747 -174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.695 ' HB2' ' HE1' ' A' ' 11' ' ' TYR . 20.2 t-160 -74.34 129.44 37.8 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.397 0.618 . . . . 74.42 112.565 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 67.7 m -147.42 109.03 4.35 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.16 -0.682 . . . . 60.02 109.16 168.425 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.11 -25.71 46.98 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.558 0.948 . . . . 63.1 113.558 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 19.15 19.26 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.748 -0.595 . . . . 74.33 112.578 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.1 OUTLIER -143.67 -15.09 0.64 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.087 0.403 . . . . 64.15 112.087 179.127 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.78 -83.63 0.69 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.2 -0.524 . . . . 64.02 112.58 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 95.6 t -136.54 113.65 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.742 0.306 . . . . 70.25 111.341 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.6 t -93.73 -14.38 26.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.638 0.256 . . . . 65.31 111.507 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.29 155.44 17.93 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.627 -0.26 . . . . 60.4 111.026 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -151.27 142.52 23.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.145 0.498 . . . . 74.43 111.997 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 33.3 mt-10 -110.78 143.7 40.9 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.076 -0.511 . . . . 55.12 110.701 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.22 105.0 15.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.847 0.356 . . . . 71.43 110.953 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.434 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 34.4 m -120.36 -179.81 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.273 0.472 . . . . 63.22 112.273 -175.819 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 168.98 9.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.063 0.459 . . . . 75.03 111.505 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -75.4 -19.8 59.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.636 0.606 . . . . 62.25 112.636 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.16 -10.39 59.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.991 -0.443 . . . . 64.45 112.086 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.434 ' OE2' ' HB ' ' A' ' 81' ' ' VAL . 45.0 mt-10 -87.76 -1.87 58.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.823 0.305 . . . . 73.22 111.823 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 83' ' ' LYS . 7.1 mp -92.98 131.32 33.58 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.736 -0.211 . . . . 73.53 110.69 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.13 145.37 65.13 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.598 2.199 . . . . 64.45 112.795 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.0 71.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.146 0.424 . . . . 73.2 112.146 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -57.38 -21.78 38.34 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.5 0.556 . . . . 72.12 112.5 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.46 -51.92 64.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.019 0.438 . . . . 74.14 110.655 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.225 0.536 . . . . 64.11 110.566 176.074 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.839 0.352 . . . . 73.41 111.125 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' H ' ' HB3' ' A' ' 69' ' ' HIS . 10.8 m-20 -119.28 156.75 29.39 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.011 0.434 . . . . 65.1 112.015 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 6.7 pt-20 -106.5 102.14 11.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.183 0.516 . . . . 74.03 110.252 172.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.521 ' HB3' ' HA3' ' A' ' 41' ' ' GLY . 51.9 m-85 -93.46 123.1 36.54 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.976 -0.453 . . . . 73.54 111.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.63 103.63 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.067 -0.515 . . . . 71.52 110.437 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -102.37 165.71 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.244 0.545 . . . . 44.42 112.363 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -125.55 140.29 52.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.756 -0.656 . . . . 64.03 109.705 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.431 HD11 HD11 ' A' ' 65' ' ' LEU . 46.8 mm -67.16 100.45 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.106 0.479 . . . . 65.43 112.093 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.5 p -84.72 -67.7 0.78 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.112 0.482 . . . . 60.3 110.892 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 m -114.28 131.13 67.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.186 -0.461 . . . . 74.34 111.373 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.03 159.74 36.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.869 0.692 . . . . 72.34 112.869 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.96 9.02 70.33 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 115.778 1.071 . . . . 74.33 115.778 171.594 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.15 100.32 2.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.372 1.086 . . . . 50.04 111.191 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.0 124.07 30.06 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.154 -0.475 . . . . 65.22 111.469 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' VAL . 28.4 m -78.11 81.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 121.973 0.892 . . . . 75.14 111.267 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 . . . . . 0 N--CA 1.474 0.761 0 CA-C-N 115.809 -0.632 . . . . 52.51 111.457 176.294 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 p90 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.25 0.463 . . . . 70.12 112.25 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.76 106.08 9.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.278 -0.419 . . . . 72.12 110.914 173.863 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB2' HG22 ' A' ' 22' ' ' VAL . 47.3 m-20 -98.75 132.07 44.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 75.41 110.747 174.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -88.2 108.28 19.21 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.354 -0.384 . . . . 73.52 110.787 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.8 125.14 41.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.954 0.407 . . . . 55.15 111.83 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 30.5 m-85 -119.62 117.01 27.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.138 -0.483 . . . . 70.33 110.693 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -113.01 118.89 36.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.065 0.459 . . . . 75.12 110.977 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 171.34 14.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.879 -0.6 . . . . 73.53 111.76 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.8 m -107.53 129.84 54.93 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.286 0.476 . . . . 72.13 112.286 -175.049 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 11' ' ' TYR . . . -116.5 140.74 16.26 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.155 -0.475 . . . . 75.35 112.809 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.59 140.46 51.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.835 0.35 . . . . 74.32 111.609 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.01 165.33 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.614 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 52.6 -86.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.792 0.837 . . . . 62.32 112.899 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.538 ' HB2' ' HG3' ' A' ' 47' ' ' LYS . 23.1 m-20 -85.16 -5.12 59.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.945 0.402 . . . . 61.44 111.75 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.13 19.01 68.0 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.182 -0.532 . . . . 53.11 112.717 -176.714 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG3' ' HB2' ' A' ' 45' ' ' ASP . 66.9 mttm -71.9 146.05 48.11 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.646 0.26 . . . . 75.51 111.056 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.01 106.41 18.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.256 0.55 . . . . 74.44 112.196 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -99.84 136.45 39.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.943 -0.571 . . . . 44.32 110.179 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.58 37.93 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.994 0.426 . . . . 75.15 111.086 175.758 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -134.9 150.44 50.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.995 0.426 . . . . 71.12 111.095 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -138.28 134.62 34.58 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.811 0.339 . . . . 62.42 111.159 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -138.86 142.88 38.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.995 0.426 . . . . 75.44 111.57 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 p -99.55 109.42 21.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.067 0.461 . . . . 74.4 110.913 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -97.61 150.34 21.25 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.332 0.587 . . . . 33.41 112.076 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -74.36 -18.83 60.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.56 -0.745 . . . . 72.52 111.79 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -129.47 160.52 32.9 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.933 0.397 . . . . 75.13 111.698 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.526 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 8.4 m120 -83.52 101.67 11.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.948 0.404 . . . . 73.22 110.839 171.109 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD22 HD21 ' A' ' 65' ' ' LEU . 1.8 pp -71.07 -175.02 1.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.168 -0.469 . . . . 64.13 111.954 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -101.38 144.05 30.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.92 0.711 . . . . 63.22 112.92 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 23.1 pttm -90.77 179.39 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.359 -0.608 . . . . 75.25 109.359 165.648 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 68.9 mm-40 65.96 18.29 11.02 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.45 0.643 . . . . 75.03 110.45 -170.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.22 172.69 12.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.808 -0.633 . . . . 75.51 111.612 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -125.72 151.75 46.24 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 64.43 110.119 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 59' ' ' LEU . 4.2 mp -127.86 144.09 51.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.871 -0.518 . . . . 63.21 112.239 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -86.27 97.55 10.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.932 -0.576 . . . . 71.54 109.785 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.08 130.87 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.521 0.677 . . . . 61.44 111.243 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 31.6 t80 -81.3 106.7 13.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.894 -1.048 . . . . 74.41 111.786 -173.83 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.469 ' HB3' ' H ' ' A' ' 9' ' ' ASP . 11.5 t-160 -74.23 105.07 5.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.417 -0.356 . . . . 75.53 111.241 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.8 p -132.79 100.78 5.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.234 -0.439 . . . . 63.1 110.799 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.31 0.31 1.49 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.902 0.704 . . . . 74.11 112.902 -174.404 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -78.94 -29.39 44.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.867 0.365 . . . . 72.35 110.574 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -139.29 10.4 2.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.788 0.435 . . . . 73.02 111.762 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.24 -66.02 1.93 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 120.913 -0.661 . . . . 70.03 112.074 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.77 128.46 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 123.006 0.522 . . . . 74.03 110.868 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 37.7 t -99.38 -33.88 10.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.023 0.379 . . . . 74.3 112.023 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.28 175.4 12.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.39 0.515 . . . . 73.34 112.39 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -155.16 140.39 17.58 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.735 -0.666 . . . . 72.42 111.446 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -119.59 134.09 55.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.589 0.233 . . . . 74.23 111.322 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -90.21 109.64 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.818 0.342 . . . . 60.51 111.187 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.0 m -109.56 172.59 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 120.895 0.379 . . . . 63.13 111.104 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -118.51 145.66 45.13 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.421 0.629 . . . . 75.24 112.232 -177.107 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -4.9 2.07 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.444 0.905 . . . . 64.4 113.444 -177.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.01 -22.61 58.4 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.026 0.38 . . . . 73.3 112.026 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.7 pt-20 -98.57 1.16 46.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.989 0.423 . . . . 74.3 111.891 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.5 mt -89.39 122.56 68.34 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.495 -0.321 . . . . 75.12 111.241 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.24 137.06 54.45 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.772 2.314 . . . . 74.2 112.767 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.13 64.66 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.007 0.373 . . . . 73.31 112.007 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -60.33 -37.45 80.67 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.393 0.516 . . . . 72.21 112.393 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.09 -37.58 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.646 0.736 . . . . 74.24 110.525 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 CA--C 1.544 0.741 0 CA-C-N 115.617 -0.72 . . . . 75.32 110.888 177.462 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 120.94 0.4 . . . . 61.32 111.272 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.67 174.98 8.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.094 -0.503 . . . . 54.0 110.421 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.0 136.55 45.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.549 0.69 . . . . 73.41 111.707 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -100.41 124.44 45.92 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.99 -0.55 . . . . 71.53 110.658 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.88 107.61 8.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 72.42 111.199 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.485 HG12 ' HA2' ' A' ' 41' ' ' GLY . 16.1 m -113.35 140.5 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.12 -0.491 . . . . 71.13 111.112 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -106.32 138.45 42.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.971 0.415 . . . . 62.42 111.239 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.39 102.95 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 112.769 0.655 . . . . 62.45 112.769 -174.417 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -94.09 -67.93 0.83 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.835 -0.62 . . . . 73.14 112.26 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.19 140.5 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 112.347 0.499 . . . . 74.53 112.347 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -131.7 155.02 48.38 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.961 0.41 . . . . 74.54 111.721 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.2 8.28 65.05 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 114.905 0.722 . . . . 64.11 114.905 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -75.12 89.77 2.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 117.554 0.677 . . . . 73.32 110.343 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -98.91 123.69 43.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.629 0.603 . . . . 54.14 112.629 -172.106 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -89.13 84.0 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.695 0.759 . . . . 65.45 112.205 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 56.0 t60 . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 116.07 -0.514 . . . . 72.44 111.802 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 23' ' ' HIS . 20.2 m-85 . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 120.929 0.395 . . . . 74.2 110.001 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG3' ' HB2' ' A' ' 23' ' ' HIS . 48.4 tttm -149.68 69.93 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.304 0.573 . . . . 70.22 110.457 -174.302 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.49 153.42 21.87 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.702 -0.681 . . . . 63.34 112.04 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -76.89 124.79 28.25 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.09 -0.505 . . . . 73.1 111.487 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -109.24 119.95 41.05 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.775 -0.648 . . . . 71.42 111.279 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.1 119.75 36.21 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.32 -0.4 . . . . 72.24 111.574 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -115.18 118.44 33.34 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.39 . . . . 60.12 110.455 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -147.8 154.33 40.34 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.366 0.603 . . . . 74.24 112.061 -179.249 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.2 m -83.61 113.02 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 64.05 111.346 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -89.82 141.94 16.32 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.139 -0.553 . . . . 50.43 112.956 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.48 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 97.4 m-85 -106.23 127.73 53.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.134 0.492 . . . . 61.43 111.674 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.95 161.87 29.15 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.705 -0.68 . . . . 63.33 111.904 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HE2' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -65.02 -9.57 22.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.667 0.988 . . . . 55.05 113.667 -177.51 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.492 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 30.2 t70 -96.79 -10.3 26.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.19 0.519 . . . . 63.24 110.841 172.72 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.53 49.4 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 116.243 -0.435 . . . . 60.44 113.092 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 62.6 mttp -119.8 153.86 35.11 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.643 -0.328 . . . . 73.45 110.845 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.38 154.79 17.23 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.471 0.545 . . . . 74.51 112.471 -175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -170.06 143.56 2.52 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.966 -0.561 . . . . 75.53 111.031 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -83.8 115.9 22.46 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.749 0.309 . . . . 53.44 111.695 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.44 153.69 25.76 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.254 0.55 . . . . 72.13 111.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -141.61 144.34 34.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.015 -0.539 . . . . 73.14 110.446 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HE2' HD21 ' A' ' 39' ' ' LEU . 41.8 p90 -165.17 165.03 20.07 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.27 0.557 . . . . 74.41 112.078 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.6 p -104.11 129.99 51.81 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.888 -0.597 . . . . 65.21 111.166 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.64 142.77 31.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.277 0.56 . . . . 70.41 112.163 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.51 -8.18 59.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.451 0.643 . . . . 71.12 110.884 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -141.44 163.76 32.06 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.898 -0.592 . . . . 60.24 110.605 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -79.21 105.67 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.883 -0.784 . . . . 62.35 108.883 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 65' ' ' LEU . 46.1 mt -65.47 152.96 42.71 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.064 0.765 . . . . 52.12 113.064 -169.536 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.66 111.44 3.18 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.976 -0.556 . . . . 64.31 111.624 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -56.89 139.26 52.13 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.051 0.453 . . . . 74.21 112.172 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.75 18.02 11.24 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.753 -0.658 . . . . 75.42 111.66 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.73 162.68 12.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.037 -0.414 . . . . 75.01 110.64 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 55.1 m-85 -110.59 130.1 55.65 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.451 0.643 . . . . 73.03 112.176 -176.342 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.691 HD11 HD13 ' A' ' 59' ' ' LEU . 95.7 mt -100.19 127.59 46.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 75.42 110.967 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -81.96 87.34 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.356 -0.609 . . . . 71.11 109.356 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.29 128.71 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.362 0.601 . . . . 64.41 112.016 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.19 95.87 0.79 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.341 -0.845 . . . . 73.45 110.392 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 53.4 t-80 -94.14 106.43 18.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.627 0.603 . . . . 63.01 112.627 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' LYS . 46.9 m -97.05 92.04 5.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.275 -0.42 . . . . 73.02 111.392 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 54.46 -80.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.244 0.617 . . . . 64.45 112.592 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.841 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 18.1 ptpt -66.93 -67.5 0.45 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.114 0.483 . . . . 64.02 110.77 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.841 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 53.2 mtmt -155.44 -64.29 0.12 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.558 0.743 . . . . 71.54 109.382 -175.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.51 -80.94 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.09 -0.505 . . . . 75.01 113.08 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 75' ' ' VAL . 16.1 t 59.48 43.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.73 0.776 . . . . 55.13 111.572 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.6 t -53.37 -43.22 67.62 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.335 0.588 . . . . 70.24 110.933 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.28 42.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.801 -0.636 . . . . 72.13 111.102 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -140.35 142.73 35.54 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.272 -0.422 . . . . 73.04 111.3 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 35.3 mt-10 -117.77 137.33 52.8 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.415 -0.357 . . . . 71.15 110.85 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.59 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.0 tt0 -97.11 94.96 7.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.03 0.443 . . . . 71.35 111.217 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.33 -179.82 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.172 0.511 . . . . 64.13 111.904 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -107.88 166.66 10.54 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.376 0.608 . . . . 72.41 112.21 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -78.91 -27.88 43.84 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.806 -0.633 . . . . 75.25 111.378 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -39.07 81.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.202 0.445 . . . . 63.32 112.202 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.11 3.56 26.53 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.933 0.716 . . . . 65.01 112.933 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.95 142.9 98.25 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 120.579 0.228 . . . . 74.54 111.455 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.641 ' O ' HG12 ' A' ' 90' ' ' VAL . 13.9 Cg_endo -55.04 135.67 69.76 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.992 2.461 . . . . 71.21 113.27 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 91' ' ' LYS . . . -49.37 -36.52 21.88 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.061 0.763 . . . . 61.53 113.061 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 69.7 mmtt -69.15 -22.1 63.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.139 0.792 . . . . 75.12 113.139 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 87' ' ' PRO . 5.2 p -73.66 -35.51 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.939 -0.476 . . . . 64.21 110.948 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 19.3 ptpt . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 64.1 110.934 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 CA--C 1.543 0.684 0 CA-C-O 120.923 0.392 . . . . 71.34 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -140.2 144.73 36.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.551 0.34 . . . . 74.11 110.099 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 136.86 52.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.253 0.549 . . . . 73.23 111.828 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 67' ' ' VAL . 52.4 m-85 -110.6 126.72 54.75 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.115 -0.493 . . . . 64.3 110.888 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.73 100.06 11.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.937 0.399 . . . . 64.24 110.627 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.52 133.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.869 0.366 . . . . 72.43 111.535 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 30.3 pt20 -88.79 147.62 24.34 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.077 0.465 . . . . 71.41 111.693 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.59 98.75 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 120.897 0.379 . . . . 75.02 111.466 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.02 -57.15 8.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.133 0.492 . . . . 71.52 110.917 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.05 126.11 74.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.047 -0.524 . . . . 74.14 111.427 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.01 176.35 5.2 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.885 0.374 . . . . 60.13 110.471 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.64 8.33 67.19 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 121.126 -0.559 . . . . 64.52 114.35 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HB3' ' HB3' ' A' ' 36' ' ' GLU . 55.6 mmtt -74.1 137.36 43.24 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.574 0.687 . . . . 63.42 110.086 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 36.5 mt-10 -133.94 122.77 23.58 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.691 0.256 . . . . 72.31 111.691 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 36' ' ' GLU . 3.8 m -73.55 78.22 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.864 0.84 . . . . 71.22 111.158 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.479 -0.782 . . . . 73.4 112.388 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.663 -0.495 . . . . 74.42 109.663 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -152.14 101.86 2.74 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 122.327 -0.233 . . . . 63.4 110.929 -174.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -112.38 156.76 21.95 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.728 0.299 . . . . 73.41 111.301 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 76.6 m-85 -102.7 164.14 11.81 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.402 0.89 . . . . 73.53 113.402 -171.455 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.652 ' HB2' HG13 ' A' ' 22' ' ' VAL . 41.4 tt0 -133.72 142.35 47.93 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.573 -0.739 . . . . 70.34 111.074 -170.349 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -143.06 107.84 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.109 0.48 . . . . 73.33 111.779 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 40.3 ttmt -96.31 101.3 12.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.322 -0.399 . . . . 73.34 110.388 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 38' ' ' LYS . 29.8 mt -123.36 168.46 12.49 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.162 0.506 . . . . 64.1 111.329 -176.629 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -108.0 112.5 25.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.008 0.433 . . . . 73.22 111.207 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 112.82 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.084 -0.579 . . . . 75.23 112.496 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -89.47 116.03 27.35 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.028 0.442 . . . . 64.15 110.64 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.3 t70 -70.02 156.89 38.49 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.115 -0.493 . . . . 75.43 112.021 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -50.05 -42.15 49.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.692 -0.686 . . . . 63.34 112.519 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -73.15 -24.44 60.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.03 0.443 . . . . 74.4 111.469 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.0 31.16 1.47 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 121.423 -0.418 . . . . 71.22 113.211 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 32.0 mmtp -96.26 170.91 8.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.827 0.346 . . . . 75.21 111.249 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 137.36 48.28 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.933 0.396 . . . . 74.51 110.856 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -140.05 137.64 34.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.013 0.435 . . . . 52.2 111.127 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.71 123.17 20.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.308 -0.406 . . . . 71.25 111.383 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 67' ' ' VAL . 22.0 tp -136.77 86.75 2.23 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.229 0.537 . . . . 70.44 112.216 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 38' ' ' LYS . 8.0 mp0 -105.0 111.04 23.68 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.309 -0.405 . . . . 74.5 110.71 177.414 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -131.54 161.47 32.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.337 0.589 . . . . 74.02 112.272 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -108.4 169.58 8.55 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.079 -0.51 . . . . 72.23 111.447 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.37 160.42 41.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.221 0.534 . . . . 22.24 111.529 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -95.98 -1.53 48.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.066 -0.516 . . . . 74.42 111.05 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -161.04 145.43 13.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.631 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.64 125.07 30.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.53 0.205 . . . . 55.14 110.535 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -103.35 -165.92 1.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.922 0.392 . . . . 72.44 111.53 178.517 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -85.14 128.1 34.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.83 0.678 . . . . 73.02 112.83 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.15 153.22 12.13 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.609 -0.723 . . . . 65.4 112.484 177.586 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 67.66 -14.27 0.22 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.259 0.837 . . . . 64.33 113.259 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.92 146.68 51.03 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.966 -0.458 . . . . 73.45 111.17 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 65.9 m-85 -91.86 114.03 26.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.118 0.485 . . . . 75.14 111.798 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.7 mt -86.29 122.11 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 74.1 111.745 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.31 86.22 6.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.179 -0.674 . . . . 61.42 109.179 171.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 51' ' ' LEU . 33.1 m -86.49 128.21 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 122.149 0.976 . . . . 74.34 113.065 -172.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.46 108.43 6.32 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.52 -1.218 . . . . 72.41 110.539 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 12.4 t-80 -77.45 110.17 11.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.324 -0.398 . . . . 75.44 111.994 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.3 p -96.77 164.64 12.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.984 0.421 . . . . 71.44 110.857 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.04 -29.78 31.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.027 0.441 . . . . 53.05 111.502 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -74.13 -66.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.729 0.64 . . . . 75.12 112.729 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 3.7 mmmp? -117.69 26.87 9.4 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.522 0.564 . . . . 74.23 112.522 -174.343 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 76.97 -60.17 3.47 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 121.03 -0.605 . . . . 60.43 113.934 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.16 127.97 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 122.362 -0.493 . . . . 73.1 111.464 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -107.94 -22.28 12.49 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.041 0.448 . . . . 33.11 111.471 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.41 155.8 37.05 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.477 -0.329 . . . . 71.54 111.169 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.534 ' HB3' HG12 ' A' ' 67' ' ' VAL . 25.6 p-90 -156.08 134.44 11.53 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.503 0.557 . . . . 75.05 112.503 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.84 148.43 42.12 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.859 -0.609 . . . . 72.33 110.359 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.23 126.52 36.33 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.975 0.417 . . . . 72.5 111.815 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 64' ' ' PHE . 18.9 m -127.8 154.23 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 122.796 0.438 . . . . 71.14 110.571 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 3.1 mppt? -107.47 151.29 25.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.966 -0.459 . . . . 74.3 111.384 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.5 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.127 0.489 . . . . 75.22 111.915 -177.186 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.38 -32.4 73.2 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.152 0.501 . . . . 41.13 111.314 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.47 -10.58 58.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.798 -0.637 . . . . 74.45 112.083 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.15 132.68 73.15 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 122.315 -0.241 . . . . 74.32 111.046 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HG2' HG22 ' A' ' 90' ' ' VAL . 63.8 Cg_endo -71.72 159.56 50.52 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.575 2.183 . . . . 64.12 113.437 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.24 79.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.074 -0.512 . . . . 73.23 112.295 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.38 -41.46 69.22 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.124 0.416 . . . . 70.35 112.124 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 87' ' ' PRO . 33.6 m -93.58 -38.31 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 111.905 0.335 . . . . 71.32 111.905 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.121 0.486 . . . . 73.55 111.876 -178.31 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.545 ' HD2' ' HE2' ' A' ' 68' ' ' TYR . 73.4 mmtt . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.11 0.481 . . . . 71.41 111.902 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.6 m-20 -69.4 98.96 1.15 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.111 -0.495 . . . . 64.23 112.313 -176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.58 107.24 18.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.511 0.672 . . . . 72.54 110.226 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 18.6 m-30 -92.38 124.12 36.2 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.07 -0.514 . . . . 70.51 111.17 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CE1' ' HG2' ' A' ' 66' ' ' ARG . 76.8 m-85 -78.4 99.36 6.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.152 0.501 . . . . 64.34 110.612 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' PHE . 31.9 m -111.69 176.01 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.908 -0.587 . . . . 71.24 111.45 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -134.89 142.65 46.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.704 0.288 . . . . 74.33 110.893 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.424 HD11 ' CD1' ' A' ' 65' ' ' LEU . 41.7 mm -74.61 99.98 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 112.399 0.518 . . . . 73.33 112.399 -176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -84.11 -65.03 1.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.899 0.38 . . . . 74.45 110.728 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.0 129.05 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.016 0.436 . . . . 72.12 111.43 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -131.1 167.78 18.54 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.096 0.474 . . . . 73.43 111.479 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.38 8.64 66.66 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 115.282 0.873 . . . . 75.05 115.282 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 7.8 mtpm? -69.4 91.11 0.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.906 0.853 . . . . 70.22 110.783 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.53 113.58 7.79 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.327 0.491 . . . . 72.44 112.327 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.16 85.46 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.8 0.809 . . . . 75.32 111.12 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.501 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 77.5 t60 . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 115.713 -0.676 . . . . 64.24 111.492 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 120.831 0.348 . . . . 72.15 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 47.4 mtmt -132.51 156.08 47.43 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.784 0.661 . . . . 74.23 112.784 -173.518 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.92 156.71 24.51 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.518 -0.764 . . . . 70.14 110.276 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -103.83 113.51 27.09 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.676 0.621 . . . . 71.24 112.676 -174.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.5 tt0 -76.96 138.35 39.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.65 -0.704 . . . . 74.25 112.075 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.475 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 95.4 m-85 -132.39 98.21 4.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.019 -0.537 . . . . 74.34 110.117 173.324 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -101.98 108.91 20.5 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.28 -0.418 . . . . 64.02 111.632 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.98 159.94 43.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.213 0.449 . . . . 62.32 112.213 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -103.89 139.96 38.34 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.794 0.331 . . . . 63.24 111.541 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -120.95 140.76 14.39 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.304 -0.474 . . . . 74.34 113.354 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -116.08 149.1 39.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.706 0.403 . . . . 74.1 110.581 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -167.52 164.49 14.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.719 0.636 . . . . 62.05 112.719 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.1 mttp 68.23 -79.32 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.799 1.037 . . . . 74.22 113.799 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.32 -21.82 1.56 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.529 0.566 . . . . 64.15 112.529 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.95 -0.62 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 C-N-CA 119.866 -1.159 . . . . 52.33 115.048 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.64 145.65 52.27 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.001 0.9 . . . . 71.03 111.373 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 13.3 pt-20 -135.75 136.35 40.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.194 0.521 . . . . 74.23 111.532 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -138.06 146.84 43.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.695 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.98 104.99 12.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.921 0.391 . . . . 71.41 111.109 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.12 83.0 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 74.33 110.616 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -98.91 105.34 17.47 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.509 -0.769 . . . . 72.21 110.984 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -121.49 169.52 10.56 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.217 0.532 . . . . 70.32 112.164 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -117.13 112.63 21.14 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.009 -0.541 . . . . 75.14 111.647 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -96.56 159.09 15.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.064 0.459 . . . . 61.44 111.026 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.3 -3.35 52.25 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.835 0.68 . . . . 74.15 112.835 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -169.22 165.48 10.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.859 0.361 . . . . 73.34 111.714 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.475 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 14.8 m120 -68.7 158.96 33.12 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.192 0.52 . . . . 73.42 112.331 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 pp -139.59 -172.38 3.36 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.898 -0.592 . . . . 63.44 111.024 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 106.53 3.82 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.35 0.595 . . . . 71.22 111.901 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -67.56 150.26 49.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.932 -0.576 . . . . 63.32 112.209 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 75.26 -20.59 0.34 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.784 0.834 . . . . 74.43 112.293 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.5 167.09 17.46 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.918 0.39 . . . . 71.52 111.617 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 49.3 m-85 -96.42 152.58 18.47 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.649 . . . . 74.32 112.351 -176.208 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 80' ' ' GLU . 52.0 mt -130.68 128.68 41.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.637 -0.71 . . . . 71.55 111.672 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 54.6 mtp180 -81.04 86.12 6.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.049 -0.723 . . . . 71.22 109.049 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -92.79 118.8 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.852 0.834 . . . . 63.34 112.25 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 47.9 t80 -71.16 119.23 15.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.408 -1.269 . . . . 74.34 110.804 176.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 41.4 t-80 -96.02 115.77 27.93 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.052 0.454 . . . . 64.53 111.743 -177.797 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.3 p -109.7 141.98 41.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.319 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.16 -15.25 62.98 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.054 0.454 . . . . 74.52 110.949 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -57.72 -69.83 0.16 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.675 -0.693 . . . . 71.55 111.593 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -136.7 35.53 2.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.229 -0.442 . . . . 62.4 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 78.15 -56.42 4.0 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.091 -0.575 . . . . 63.01 113.462 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.05 146.49 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 117.203 0.502 . . . . 64.01 112.282 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 34.6 t -127.24 -38.31 1.98 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.119 -0.491 . . . . 51.44 111.09 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.94 165.36 32.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.445 -0.343 . . . . 72.15 111.263 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 -153.95 134.86 13.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.451 0.537 . . . . 75.23 112.451 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.609 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 28.4 mt-10 -113.79 145.28 41.64 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.004 -0.543 . . . . 75.24 109.986 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.516 ' HA ' HD23 ' A' ' 65' ' ' LEU . 33.8 tt0 -97.02 134.34 40.51 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.793 -0.567 . . . . 62.54 112.272 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 m -147.37 170.67 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 116.048 -0.524 . . . . 75.4 111.309 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 63.3 mttp -111.76 164.62 12.86 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.398 -0.364 . . . . 60.1 110.641 173.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -66.61 -21.13 66.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.232 -0.587 . . . . 73.32 109.688 172.184 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.69 -14.03 61.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.097 -0.501 . . . . 74.24 111.074 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG3' ' HB2' ' A' ' 82' ' ' LYS . 30.5 mt-10 -108.61 8.32 27.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.859 0.362 . . . . 74.11 111.494 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 mt -106.53 127.41 28.23 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.428 -0.351 . . . . 74.42 111.207 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 34.9 Cg_exo -61.01 130.32 32.21 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.797 2.331 . . . . 43.34 113.1 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.85 -34.28 67.62 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.06 0.392 . . . . 71.1 112.06 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -56.96 -44.27 82.42 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.042 0.449 . . . . 74.54 111.087 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.55 -37.76 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.193 0.521 . . . . 72.34 110.634 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? . . . . . 0 CA--C 1.543 0.678 0 CA-C-N 115.948 -0.569 . . . . 73.21 111.114 177.988 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.729 0.3 . . . . 60.0 110.574 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 13.3 m-20 -95.5 134.96 37.75 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.358 0.503 . . . . 72.41 112.358 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -140.67 132.84 28.05 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.382 -0.599 . . . . 74.0 109.382 165.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -120.23 133.96 55.37 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.966 0.413 . . . . 73.42 111.588 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -85.49 100.69 12.07 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.267 -0.424 . . . . 62.22 110.505 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.586 HG21 HD13 ' A' ' 39' ' ' LEU . 23.1 m -112.0 167.97 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.327 0.584 . . . . 71.53 112.166 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -112.45 158.06 20.32 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.822 -0.626 . . . . 74.13 110.571 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' HA ' ' A' ' 61' ' ' LYS . 46.3 mm -70.86 84.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.294 0.569 . . . . 64.12 110.668 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.9 p -71.9 -58.27 3.6 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.816 -0.629 . . . . 72.02 111.832 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.35 106.25 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-O 121.369 0.604 . . . . 73.34 111.595 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.52 149.07 25.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.102 -0.499 . . . . 72.35 111.194 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.04 9.53 66.85 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.057 -0.592 . . . . 72.32 114.28 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 12.2 tmtt? -77.42 84.92 3.83 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 117.337 0.569 . . . . 71.03 109.912 -177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 13.0 pt-20 -84.0 150.91 25.32 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.833 0.679 . . . . 74.23 112.833 -172.077 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 m -122.0 97.49 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 121.577 0.703 . . . . 65.31 111.483 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 85.9 t60 . . . . . 0 N--CA 1.467 0.425 0 CA-C-N 115.676 -0.693 . . . . 62.33 110.973 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.0 p90 . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.911 0.386 . . . . 74.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.654 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 30.3 mtmt -147.36 117.89 7.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.072 0.397 . . . . 63.31 112.072 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -103.37 178.33 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.438 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 54' ' ' THR . 90.5 m-85 -115.4 150.13 36.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.68 0.276 . . . . 72.12 110.994 175.897 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 38.0 tt0 -119.77 106.86 12.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.052 0.453 . . . . 61.22 111.4 -172.515 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -90.8 89.41 7.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.545 0.688 . . . . 75.33 111.465 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.27 92.72 8.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.183 -0.917 . . . . 74.25 109.757 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.586 HD13 HG21 ' A' ' 13' ' ' VAL . 26.0 mt -114.61 166.69 11.45 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.938 0.718 . . . . 72.42 112.938 -168.511 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -116.44 110.89 19.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.904 -0.589 . . . . 73.31 110.275 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -92.44 137.64 13.8 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.096 -0.573 . . . . 74.13 112.865 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 67.1 m-85 -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 71.04 110.845 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.51 169.49 10.82 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.524 -0.762 . . . . 72.24 112.482 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.731 ' H ' ' HD3' ' A' ' 44' ' ' LYS . 2.4 mppt? -59.17 -25.18 63.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.01 -0.541 . . . . 65.45 111.591 -178.496 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.31 -10.99 36.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.964 0.357 . . . . 60.14 111.964 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.82 6.95 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.321 -0.466 . . . . 44.4 113.28 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 89.0 mttt -96.08 178.33 5.44 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 122.643 -0.327 . . . . 55.33 111.17 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -102.11 122.82 44.87 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.783 0.325 . . . . 63.23 110.896 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 50' ' ' GLU . 5.7 tmtm? -124.67 140.8 52.6 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.915 0.388 . . . . 63.51 110.098 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.594 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -84.4 121.66 27.86 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.831 0.348 . . . . 73.43 111.817 -176.7 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 50' ' ' GLU . 3.7 mm? -123.53 142.88 50.58 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.843 0.354 . . . . 65.34 110.997 176.635 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -156.51 125.91 6.17 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.779 0.323 . . . . 74.11 111.223 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -147.4 146.58 29.65 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.228 0.537 . . . . 61.24 111.678 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 71.5 p -93.65 117.23 29.81 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.026 -0.534 . . . . 75.21 111.513 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 137.93 35.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.923 0.392 . . . . 70.11 111.541 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 56' ' ' GLN . 7.9 pm0 -69.81 -21.49 63.39 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.215 0.531 . . . . 75.34 111.185 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.27 143.15 51.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.818 -0.628 . . . . 63.44 110.727 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -77.78 109.22 11.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.88 0.372 . . . . 63.41 110.254 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.82 168.62 11.19 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.224 0.535 . . . . 71.33 112.006 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -75.22 132.06 40.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.538 0.685 . . . . 71.41 112.47 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 61' ' ' LYS . 44.2 pttt -78.03 156.36 30.15 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.52 -0.764 . . . . 73.23 112.609 -177.508 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 39.5 tt0 73.52 3.51 4.57 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.891 0.877 . . . . 73.22 111.851 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.94 24.19 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.909 -0.494 . . . . 71.31 111.544 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HE1' ' HB3' ' A' ' 83' ' ' LYS . 79.1 m-85 -85.13 107.95 17.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.342 0.592 . . . . 72.41 110.752 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 78' ' ' TRP . 1.3 tt -90.38 115.79 27.83 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.864 -0.607 . . . . 71.41 111.148 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -81.65 97.13 7.74 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.796 0.332 . . . . 75.21 110.359 173.42 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -90.24 129.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.563 0.697 . . . . 64.31 111.862 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 68.8 t80 -94.04 122.9 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.196 -0.911 . . . . 74.33 111.587 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 52.1 t-80 -114.91 143.12 45.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.386 0.612 . . . . 75.4 111.788 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 73.0 m -138.42 152.35 48.29 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.282 -0.417 . . . . 61.2 111.046 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.71 -70.95 0.1 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.035 0.754 . . . . 71.45 113.035 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -88.12 24.05 1.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.334 0.494 . . . . 73.3 112.334 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.5 OUTLIER -138.94 -16.65 1.1 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.937 0.347 . . . . 64.31 111.937 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 65.23 -82.54 0.07 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.98 -0.628 . . . . 75.52 112.398 -175.768 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.68 144.09 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.975 0.388 . . . . 65.05 110.691 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 43.9 t -133.58 -39.31 0.9 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.175 0.435 . . . . 63.52 112.175 -178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.6 170.14 18.76 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.719 0.295 . . . . 62.21 111.719 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.72 ' HB2' HD21 ' A' ' 65' ' ' LEU . 27.5 p-90 -159.85 142.65 13.75 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.288 0.566 . . . . 72.04 112.47 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -129.42 149.88 51.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.051 -0.522 . . . . 72.21 110.753 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -115.14 117.77 31.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 122.138 -0.351 . . . . 74.51 111.819 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.36 168.64 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 120.811 0.339 . . . . 72.34 111.013 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -110.3 161.87 15.19 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.022 -0.424 . . . . 72.41 111.445 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HB3' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -56.07 -26.27 48.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.322 0.86 . . . . 73.04 113.322 -176.143 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ASP . . . . . 0.543 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 28.4 t70 -61.7 -29.62 70.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.056 0.455 . . . . 73.1 112.066 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.23 2.73 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.574 0.583 . . . . 64.22 112.574 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.6 mt -106.1 141.64 23.16 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 112.126 0.417 . . . . 62.53 112.126 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.3 163.84 37.44 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.678 2.252 . . . . 75.02 112.863 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.78 -57.96 3.57 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.025 0.75 . . . . 75.51 113.025 -173.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -51.18 -32.97 25.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.817 1.043 . . . . 62.31 113.817 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.39 -45.22 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 120.97 0.414 . . . . 74.21 111.643 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 121.015 0.436 . . . . 72.32 111.178 -179.762 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 111.92 0.341 . . . . 74.04 111.92 . . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.79 121.32 36.96 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.397 0.888 . . . . 75.41 113.397 -169.614 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -97.31 114.67 26.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.037 -0.529 . . . . 60.21 110.024 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.24 121.31 34.47 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.044 0.449 . . . . 73.11 111.396 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -85.31 99.88 11.44 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.985 -0.552 . . . . 75.24 110.879 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 39' ' ' LEU . 30.7 m -128.12 152.13 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.93 -0.577 . . . . 74.51 111.111 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.56 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.9 pt20 -95.55 139.96 31.08 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.875 0.369 . . . . 73.23 110.894 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.487 HD11 HD13 ' A' ' 65' ' ' LEU . 46.2 mm -76.15 114.96 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.971 0.415 . . . . 74.12 111.365 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -102.42 -66.61 0.92 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.291 -0.413 . . . . 75.24 111.583 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.81 130.7 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.523 0.678 . . . . 74.43 112.802 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.31 -174.86 3.51 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.621 -0.718 . . . . 75.33 111.174 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.2 70.14 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.251 0.86 . . . . 63.14 115.251 173.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 25.5 mmtp -69.6 94.75 0.8 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.523 0.661 . . . . 73.13 111.722 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.67 107.28 12.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.133 -0.354 . . . . 60.32 111.748 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 34' ' ' ASP . 31.3 m -92.85 58.89 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.618 0.723 . . . . 73.43 111.385 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 N--CA 1.47 0.562 0 CA-C-N 115.854 -0.612 . . . . 75.22 110.92 -178.772 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 p90 . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.733 0.302 . . . . 73.21 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -118.63 103.61 9.86 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.872 0.693 . . . . 72.2 112.872 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.4 m-20 -109.85 128.07 55.09 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.041 -0.527 . . . . 64.42 109.949 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 54' ' ' THR . 54.9 m-85 -89.29 114.73 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.772 0.286 . . . . 75.42 111.772 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 20.9 tt0 -78.78 139.7 38.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.949 0.404 . . . . 63.24 111.282 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HE1' ' HB3' ' A' ' 55' ' ' ALA . 93.8 m-85 -118.87 110.03 16.71 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.009 0.433 . . . . 72.54 110.402 174.091 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -96.57 113.05 24.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.956 -0.565 . . . . 70.22 111.292 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -152.12 167.82 27.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.99 0.424 . . . . 73.25 111.817 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.8 m -116.3 120.92 40.44 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.965 0.358 . . . . 75.33 111.965 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.09 147.1 18.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.401 -0.428 . . . . 70.31 112.408 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 96.6 m-85 -113.03 106.9 15.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 75.3 112.057 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.673 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 21.5 t70 -81.28 137.53 35.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.02 -0.536 . . . . 71.0 110.387 177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 20.6 ttmm 60.96 14.98 5.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.944 0.402 . . . . 73.22 110.925 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.2 5.51 4.71 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 121.191 0.52 . . . . 63.41 111.818 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.25 -42.53 0.18 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.208 -0.52 . . . . 41.15 113.455 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.673 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.4 mmtt -71.2 135.21 47.43 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.546 -0.385 . . . . 74.15 111.393 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.28 142.56 29.02 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.788 0.327 . . . . 74.14 111.025 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.707 ' HE3' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -144.16 130.02 19.35 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.058 0.456 . . . . 75.24 111.066 176.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.707 ' H ' ' HE3' ' A' ' 49' ' ' LYS . 4.2 mp0 -71.31 115.81 10.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.948 -0.569 . . . . 72.01 111.099 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.2 mp -113.55 117.97 33.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.052 0.453 . . . . 73.32 111.344 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -130.55 115.01 16.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.091 0.472 . . . . 75.3 110.964 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -127.13 160.87 29.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.026 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 70.2 p -115.86 145.72 42.62 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.544 0.572 . . . . 54.11 112.544 -176.66 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -133.99 163.26 29.93 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.007 -0.542 . . . . 35.44 111.055 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 -8.09 49.55 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.938 0.348 . . . . 65.12 111.938 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.31 169.77 17.6 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.406 -0.361 . . . . 74.01 111.265 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -73.33 143.54 46.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.947 0.403 . . . . 63.13 110.458 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.7 mt -105.91 -80.17 0.56 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.891 0.377 . . . . 72.55 111.425 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -151.88 173.93 14.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.229 -0.441 . . . . 74.55 111.087 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 29.5 mtpp -139.91 138.21 35.46 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.332 -0.618 . . . . 74.13 109.332 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 39.2 tt0 74.46 -36.29 0.32 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.693 0.397 . . . . 74.23 112.053 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.21 156.77 38.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.881 0.372 . . . . 35.21 111.662 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.56 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 94.6 m-85 -89.88 166.8 13.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.45 0.643 . . . . 73.33 111.888 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 78' ' ' TRP . 3.9 tt -154.87 126.71 7.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.002 -0.544 . . . . 64.23 110.361 -176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -80.47 96.35 6.73 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.467 -0.333 . . . . 72.42 110.526 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.1 t -88.22 121.11 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.607 0.717 . . . . 73.54 111.819 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -79.2 106.44 11.24 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.97 -1.014 . . . . 63.31 111.283 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.94 114.42 21.21 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.037 -0.529 . . . . 72.2 111.812 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.03 173.64 4.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.184 -0.462 . . . . 60.01 110.485 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -50.83 -42.43 58.43 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.03 0.382 . . . . 65.04 112.03 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -110.83 -72.21 0.73 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.136 0.494 . . . . 64.44 112.147 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -156.73 -156.04 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.179 -172.606 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.38 3.17 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.43 0.532 . . . . 64.12 114.43 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.6 t 72.48 114.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.422 0.63 . . . . 73.11 111.816 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.4 t -86.32 -28.73 23.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.491 0.552 . . . . 20.32 112.491 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.3 166.96 30.18 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.335 0.494 . . . . 72.54 112.335 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.693 ' HB2' HD21 ' A' ' 65' ' ' LEU . 43.3 p-90 -162.29 140.93 9.06 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.615 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.75 144.06 50.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.57 0.348 . . . . 71.44 111.22 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -98.72 131.5 44.83 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.043 0.449 . . . . 73.52 111.762 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -146.72 134.03 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 121.112 0.482 . . . . 73.34 111.97 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -92.57 159.17 15.61 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.848 -0.533 . . . . 74.05 110.802 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -18.12 60.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 75.14 111.019 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.81 -38.39 79.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.884 -0.598 . . . . 65.21 110.765 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.4 -34.41 54.82 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.745 -0.661 . . . . 73.12 111.137 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -70.51 147.88 95.03 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.9 -0.591 . . . . 63.1 111.804 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.413 ' HG2' HG23 ' A' ' 90' ' ' VAL . 37.9 Cg_endo -65.97 147.6 84.85 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.492 2.128 . . . . 64.5 113.095 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.19 -28.82 43.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.331 -0.395 . . . . 73.43 111.911 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -50.34 -38.59 42.75 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.15 0.426 . . . . 61.24 112.15 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.413 HG23 ' HG2' ' A' ' 87' ' ' PRO . 60.0 t -69.41 -55.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.069 0.461 . . . . 52.45 111.462 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 120.816 0.341 . . . . 71.32 111.617 -179.486 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 109.463 -0.569 . . . . 71.14 109.463 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -79.61 174.58 11.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.418 0.896 . . . . 71.43 113.418 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.4 161.4 22.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.159 -0.928 . . . . 74.32 111.191 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -140.88 120.95 13.72 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.516 -0.311 . . . . 73.44 111.13 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.26 100.37 5.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.406 0.622 . . . . 71.35 110.704 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.53 HG11 HD13 ' A' ' 39' ' ' LEU . 12.2 m -90.94 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.467 -0.788 . . . . 61.4 110.818 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -129.37 127.03 40.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.911 -0.586 . . . . 74.34 109.697 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 65' ' ' LEU . 44.4 mm -63.97 89.93 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.216 0.532 . . . . 63.53 111.693 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.0 p -80.32 -63.97 1.29 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.595 -0.729 . . . . 65.34 111.308 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.62 122.71 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.343 0.592 . . . . 72.13 111.674 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -130.29 163.01 27.71 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.04 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.58 50.28 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.98 -0.629 . . . . 34.44 114.045 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.686 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 1.4 tmtp? -77.37 111.46 13.07 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.475 -0.426 . . . . 62.32 110.493 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.63 147.12 23.51 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.177 0.513 . . . . 73.22 111.895 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.36 106.99 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.78 0.8 . . . . 72.3 111.464 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 CA--C 1.552 1.058 0 CA-C-N 115.143 -0.935 . . . . 73.2 111.204 173.504 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.092 0.404 . . . . 72.42 112.092 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 10.2 mtmp? -138.67 147.25 42.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.923 0.489 . . . . 74.24 111.085 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.05 171.72 7.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.125 0.488 . . . . 64.32 111.229 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -110.5 148.62 31.73 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.017 172.694 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.686 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 40.0 tt0 -129.67 146.58 51.44 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.384 0.513 . . . . 71.44 112.384 -172.545 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -129.57 109.8 11.31 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.076 -0.511 . . . . 72.34 111.949 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -103.1 107.43 18.24 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.416 -0.587 . . . . 72.2 109.416 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD13 HG11 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -143.66 152.03 40.83 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.187 0.81 . . . . 73.02 113.187 -170.321 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.456 ' OG1' ' HG2' ' A' ' 50' ' ' GLU . 83.2 m -100.85 133.01 45.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.716 -0.674 . . . . 62.34 111.414 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.482 ' CA ' HG12 ' A' ' 13' ' ' VAL . . . -113.61 145.37 18.38 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.246 -0.502 . . . . 61.04 113.201 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.99 124.59 47.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.33 0.252 . . . . 70.12 111.083 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -155.38 -178.34 7.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.838 0.351 . . . . 74.32 110.881 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? 70.68 -79.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.499 0.719 . . . . 73.53 111.316 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -159.24 69.5 0.45 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.45 0.643 . . . . 61.03 110.605 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.16 39.19 96.91 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.706 -0.679 . . . . 75.12 112.529 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -111.8 129.76 56.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.499 0.319 . . . . 75.55 110.533 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.82 157.16 17.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.633 0.73 . . . . 72.21 112.267 -175.497 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -157.28 131.42 8.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 71.03 110.485 172.317 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' HG2' ' OG1' ' A' ' 40' ' ' THR . 44.2 mt-10 -90.55 114.32 26.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.72 0.295 . . . . 74.43 111.357 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 51' ' ' LEU . 2.9 mm? -102.66 153.15 20.4 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.086 0.469 . . . . 63.33 111.364 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.59 124.38 35.75 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.535 . . . . 64.42 111.029 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.28 159.55 44.28 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.968 0.413 . . . . 71.4 111.336 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.1 p -115.06 151.06 34.93 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.019 0.438 . . . . 70.5 111.405 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.36 156.32 46.85 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.994 0.426 . . . . 62.33 111.693 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.98 -33.93 76.95 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.696 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -138.35 172.95 12.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.001 -0.545 . . . . 71.41 111.265 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -79.06 106.7 11.28 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.585 -0.524 . . . . 75.12 109.585 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.94 -80.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.58 0.585 . . . . 74.43 112.58 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -177.09 115.67 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.866 0.365 . . . . 55.31 110.584 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -74.92 158.3 33.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.282 0.845 . . . . 70.03 113.282 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 70.82 0.51 3.37 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.732 1.012 . . . . 71.22 113.732 172.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.29 172.66 7.02 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.982 0.42 . . . . 63.13 111.698 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -93.06 159.62 15.22 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.091 0.472 . . . . 74.44 110.859 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 78' ' ' TRP . 6.6 tt -156.79 125.77 5.94 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.003 0.43 . . . . 73.44 111.072 -175.159 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -80.75 105.98 12.4 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.79 0.329 . . . . 71.15 111.064 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -92.5 129.25 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 71.43 110.84 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 17.8 t80 -89.27 111.53 22.37 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.84 -0.618 . . . . 75.33 111.302 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.52 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 50.9 t-80 -99.16 121.35 40.9 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.599 0.592 . . . . 65.21 112.599 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -110.26 165.79 11.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.097 -0.501 . . . . 73.11 111.318 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.3 -72.61 0.07 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.039 0.755 . . . . 74.43 113.039 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -95.81 -28.47 14.72 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.04 -0.412 . . . . 75.41 112.023 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.49 -23.59 62.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.1 0.476 . . . . 74.44 111.928 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.28 -70.85 2.34 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.846 -0.692 . . . . 62.11 112.458 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 82.1 t -129.81 118.15 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.185 0.517 . . . . 55.41 112.043 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 m -88.26 -40.02 13.97 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.086 -0.507 . . . . 71.03 111.61 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.38 -179.99 7.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.307 -0.406 . . . . 53.44 110.902 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.888 ' HB2' HD21 ' A' ' 65' ' ' LEU . 37.8 p-90 -155.38 145.12 21.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.943 0.401 . . . . 74.43 111.984 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -125.06 139.69 53.56 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.269 -0.423 . . . . 75.3 110.768 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -99.22 128.79 45.4 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.775 0.322 . . . . 71.31 110.647 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.1 141.7 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 121.395 0.617 . . . . 75.51 112.317 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.26 160.58 28.78 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.238 0.542 . . . . 72.52 111.58 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -58.56 -41.87 86.65 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.886 -0.597 . . . . 74.52 110.7 176.769 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.55 -18.05 65.15 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.366 0.506 . . . . 74.12 112.366 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.67 -7.81 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.663 0.268 . . . . 71.51 111.59 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -101.75 140.07 20.9 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.836 -0.166 . . . . 55.24 111.12 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.449 ' O ' HG22 ' A' ' 90' ' ' VAL . 42.9 Cg_endo -66.93 144.81 71.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.425 2.083 . . . . 72.34 112.548 178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.64 -24.93 3.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.188 0.811 . . . . 74.51 113.188 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 7.9 mptt -57.14 -26.79 61.12 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.383 0.512 . . . . 75.13 112.383 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 87' ' ' PRO . 18.7 m -68.93 -27.39 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 120.97 0.414 . . . . 73.11 111.089 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 CA--C 1.54 0.574 0 CA-C-N 116.192 -0.458 . . . . 75.31 111.357 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 120.97 0.414 . . . . 75.13 111.512 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.53 165.11 15.08 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.945 -0.57 . . . . 72.55 112.13 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.752 ' HG3' ' HD3' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -100.61 126.92 47.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.227 0.537 . . . . 73.12 110.572 172.363 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 1.7 m-85 -93.33 135.88 34.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.797 0.332 . . . . 73.44 111.686 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -84.17 109.68 17.93 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.582 -0.281 . . . . 75.21 110.895 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' HA2' ' A' ' 41' ' ' GLY . 16.6 m -116.74 142.19 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.267 0.556 . . . . 73.21 111.679 178.01 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -106.38 127.84 53.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.601 -0.727 . . . . 70.41 110.542 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.645 HD11 HD12 ' A' ' 65' ' ' LEU . 49.2 mm -67.64 110.01 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.347 0.499 . . . . 71.13 112.347 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -111.42 -66.64 1.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.873 -0.603 . . . . 41.42 111.591 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -90.58 124.77 43.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.227 0.537 . . . . 72.42 112.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -131.97 179.35 6.14 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.077 0.465 . . . . 72.13 112.024 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.58 8.34 62.95 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 115.113 0.805 . . . . 61.14 115.113 170.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -83.02 94.51 7.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.866 0.833 . . . . 63.02 111.302 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.18 131.51 39.39 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.266 0.555 . . . . 75.01 112.056 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.3 m -86.56 81.14 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.981 0.896 . . . . 64.2 110.802 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.9 t60 . . . . . 0 CA--C 1.541 0.622 0 CA-C-N 115.401 -0.818 . . . . 65.13 110.831 -179.62 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 120.735 0.302 . . . . 75.52 110.649 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -143.68 113.57 7.18 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.277 0.473 . . . . 73.54 112.277 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' HG22 ' A' ' 22' ' ' VAL . 77.3 m-20 -102.26 139.89 37.26 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 110.188 -0.301 . . . . 45.41 110.188 169.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -82.47 109.63 16.86 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.234 0.54 . . . . 63.44 110.809 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 13.2 tt0 -83.69 132.01 34.9 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.726 0.639 . . . . 74.01 112.726 -175.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -107.92 98.96 8.47 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.965 -0.561 . . . . 73.45 110.16 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -99.32 105.44 17.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.114 0.483 . . . . 74.31 111.025 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.33 171.3 14.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.079 0.466 . . . . 63.33 112.14 -175.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -96.21 125.63 40.86 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.847 0.356 . . . . 64.34 111.573 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -100.99 134.4 11.68 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 121.466 -0.397 . . . . 74.24 112.622 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.31 142.6 27.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.241 0.544 . . . . 73.22 111.273 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.809 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 19.8 t0 -127.96 132.16 49.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.788 -0.642 . . . . 64.21 112.585 -166.21 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 47.54 -94.48 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.936 1.087 . . . . 70.2 113.936 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -108.8 20.27 18.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.451 0.538 . . . . 54.43 112.451 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.82 11.11 7.93 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.027 -0.606 . . . . 71.43 113.852 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 29.9 mmmt -69.61 160.94 30.62 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.881 0.34 . . . . 72.45 110.166 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.62 123.25 26.05 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.345 0.593 . . . . 64.43 112.474 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.0 146.1 48.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.923 -0.58 . . . . 74.24 110.187 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.83 120.78 26.47 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.928 0.394 . . . . 63.43 111.185 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.85 121.17 43.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.282 -0.417 . . . . 64.21 110.87 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -126.85 117.94 23.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.94 0.4 . . . . 74.14 110.786 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.549 ' HB3' HG11 ' A' ' 75' ' ' VAL . 42.6 p90 -127.37 135.41 50.45 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.992 0.425 . . . . 64.13 111.551 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 58.0 p -94.8 109.74 21.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 75.42 111.25 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.99 141.75 30.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.263 -0.426 . . . . 60.32 111.362 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -69.87 -3.95 18.14 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.248 0.462 . . . . 61.32 112.248 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -160.24 174.7 13.83 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.744 0.307 . . . . 72.53 111.034 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.0 131.46 34.46 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.76 0.314 . . . . 73.44 110.81 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.85 -176.24 3.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.954 0.407 . . . . 72.53 112.091 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 60' ' ' ARG . 3.6 mpt_? -64.45 112.71 3.25 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.269 0.556 . . . . 74.4 111.943 -177.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -85.78 155.63 20.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.525 . . . . 71.0 111.474 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.99 11.02 8.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.959 0.504 . . . . 75.42 111.573 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.12 178.31 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.777 0.323 . . . . 51.21 111.173 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -116.12 142.73 46.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.36 0.6 . . . . 74.33 111.658 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 15' ' ' ILE . 52.7 mt -125.15 130.52 52.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.328 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.752 ' HD3' ' HG3' ' A' ' 10' ' ' GLU . 50.9 mtt180 -82.89 93.67 7.55 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.659 -0.497 . . . . 72.43 109.659 168.776 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -91.31 125.74 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.488 0.661 . . . . 65.41 112.012 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.03 119.19 13.86 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.945 -1.025 . . . . 65.1 111.31 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 45.4 t-80 -112.12 118.26 34.88 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.118 0.485 . . . . 54.4 112.087 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 m -97.65 -167.48 1.53 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.077 -0.51 . . . . 64.5 111.116 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -59.33 3.42 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.913 0.709 . . . . 51.41 112.913 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 49.0 pttt -82.87 -62.2 1.66 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 120.887 0.375 . . . . 71.24 111.26 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.57 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 31.6 mtmm -154.67 -50.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.176 0.59 . . . . 71.11 110.224 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.88 -78.67 1.36 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.173 -0.537 . . . . 72.55 113.135 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 53' ' ' PHE . 14.2 t 53.2 35.53 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.65 0.738 . . . . 65.34 111.273 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 m -58.85 -23.76 61.19 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.012 -0.54 . . . . 74.44 112.032 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.02 130.35 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.916 0.339 . . . . 74.04 111.916 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -120.11 128.93 53.91 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.376 -0.374 . . . . 73.54 110.062 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -117.66 141.0 48.89 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.217 0.532 . . . . 71.34 111.902 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.6 tt0 -81.34 97.04 7.51 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.652 -0.704 . . . . 71.4 112.273 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.03 142.96 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.316 0.579 . . . . 65.15 111.256 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -114.83 172.19 7.19 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.266 0.555 . . . . 73.1 111.457 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.48 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -10.02 0.35 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.118 1.155 . . . . 65.03 114.118 -176.891 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.56 -40.73 75.69 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.495 0.554 . . . . 62.32 112.495 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.31 -0.24 44.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.786 0.661 . . . . 73.2 112.786 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -86.2 124.25 70.46 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 111.854 0.316 . . . . 74.04 111.854 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.63 ' O ' HG12 ' A' ' 90' ' ' VAL . 36.2 Cg_endo -65.43 126.41 16.18 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.346 2.031 . . . . 71.03 112.448 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.81 -41.63 3.3 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.312 0.856 . . . . 52.44 113.312 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.89 -35.26 77.83 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.725 0.639 . . . . 73.14 112.725 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 87' ' ' PRO . 4.2 p -65.49 -21.03 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.912 -0.492 . . . . 64.11 111.139 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.9 tttp . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 116.178 -0.465 . . . . 51.32 111.405 179.321 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.267 0.556 . . . . 72.14 111.368 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -75.1 145.48 42.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.452 0.644 . . . . 73.41 112.121 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.21 129.22 49.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.625 -0.716 . . . . 64.42 110.221 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.08 143.58 35.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.102 0.477 . . . . 54.22 112.012 -172.158 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -99.72 100.29 11.24 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.075 0.464 . . . . 61.41 110.863 174.17 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' HA2' ' A' ' 41' ' ' GLY . 33.1 m -98.36 -179.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.203 -0.453 . . . . 45.25 110.758 177.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 29.4 pt20 -133.47 145.46 50.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.941 0.401 . . . . 75.52 111.228 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.702 HD11 HD12 ' A' ' 65' ' ' LEU . 43.5 mm -88.48 95.77 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.103 0.478 . . . . 74.11 111.75 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -97.19 -61.53 1.39 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.128 -0.487 . . . . 61.41 111.111 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -90.44 127.02 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.284 0.564 . . . . 62.31 112.169 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -131.63 -173.73 3.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.871 -0.604 . . . . 55.13 111.347 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 35' ' ' TYR . . . 72.37 8.8 71.72 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 115.091 0.796 . . . . 55.24 115.091 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 74.3 mmtt -73.45 71.25 1.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.823 0.811 . . . . 61.44 111.213 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 50.8 mt-10 -70.37 124.73 24.9 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.949 0.404 . . . . 73.43 111.773 -177.497 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.04 58.56 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.851 0.834 . . . . 70.24 111.251 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 . . . . . 0 CA--C 1.542 0.65 0 CA-C-N 115.667 -0.697 . . . . 75.02 111.235 -175.383 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.193 0.442 . . . . 51.31 112.193 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -165.33 59.37 0.12 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.69 0.757 . . . . 74.4 110.272 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 3.8 m-20 -112.27 148.38 34.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 70.14 110.984 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.415 ' HD2' ' HA2' ' A' ' 19' ' ' GLY . 37.9 m-85 -84.93 108.96 17.81 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.154 0.502 . . . . 73.11 112.009 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 43.9 tt0 -87.89 150.65 23.37 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.962 -0.563 . . . . 52.52 111.665 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 80.6 m-85 -129.42 113.59 15.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.446 -0.343 . . . . 74.45 111.797 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.24 97.6 10.0 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 110.014 -0.365 . . . . 71.3 110.014 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.5 mt -111.86 147.76 35.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.128 0.489 . . . . 45.51 112.267 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -102.47 122.23 43.92 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.756 0.312 . . . . 75.11 110.92 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -104.24 146.73 16.33 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 121.354 -0.451 . . . . 75.22 112.897 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -111.94 124.48 52.47 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.18 0.514 . . . . 74.2 111.347 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 28.0 t70 -69.72 154.87 41.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.871 -0.604 . . . . 70.22 111.979 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -62.91 -13.94 40.55 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.937 0.718 . . . . 74.15 112.937 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -102.01 -11.16 19.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.051 0.453 . . . . 75.35 111.132 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.81 45.94 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 121.371 -0.442 . . . . 62.34 113.817 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 56.3 mttp -119.75 168.04 11.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.954 0.377 . . . . 75.31 110.924 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -100.55 145.06 28.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.941 0.401 . . . . 74.01 111.798 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -139.54 141.54 37.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.339 -0.391 . . . . 53.42 110.465 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 44.9 tt0 -90.32 116.21 28.1 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.046 0.387 . . . . 74.21 112.046 -178.436 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 67' ' ' VAL . 2.8 mm? -110.19 141.94 42.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.582 0.353 . . . . 71.32 111.046 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -159.44 140.05 12.3 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.084 -0.385 . . . . 53.42 111.223 175.4 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -161.34 155.28 22.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.858 0.361 . . . . 74.43 111.41 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 50.4 p -104.64 121.38 43.43 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.482 -0.326 . . . . 74.54 111.588 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.91 149.11 32.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.737 0.415 . . . . 71.11 110.744 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -74.46 -14.58 60.85 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.969 0.414 . . . . 64.01 112.046 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -148.36 152.34 36.87 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.661 -0.245 . . . . 73.04 110.814 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 78.1 m-20 -60.16 144.55 49.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.911 0.386 . . . . 71.23 110.801 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.69 -73.12 0.46 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.289 -0.414 . . . . 71.14 112.055 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.671 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 12.4 ttm-85 -168.73 169.17 10.21 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.626 0.25 . . . . 63.34 110.594 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.7 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -96.99 136.2 37.91 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 122.096 -0.377 . . . . 64.41 111.802 173.677 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.16 -21.15 0.23 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.394 0.887 . . . . 74.41 113.394 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.671 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . . . -68.76 163.33 24.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.175 0.512 . . . . 62.25 112.181 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 85.3 m-85 -99.74 164.71 11.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.357 0.598 . . . . 62.21 111.755 -175.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 78' ' ' TRP . 2.0 tt -141.1 118.91 11.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.174 0.511 . . . . 72.34 110.763 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -82.74 95.69 7.94 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.841 -0.618 . . . . 60.32 110.937 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.574 HG21 ' HG ' ' A' ' 51' ' ' LEU . 31.2 m -95.65 142.79 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 121.766 0.793 . . . . 64.44 112.28 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.79 115.1 29.79 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.965 -1.016 . . . . 65.52 111.737 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -83.85 106.63 15.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.853 0.358 . . . . 53.21 111.275 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -87.7 -167.06 1.76 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.989 0.423 . . . . 42.45 111.655 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.86 -11.02 59.98 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.026 0.441 . . . . 73.33 111.802 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -100.64 23.26 10.66 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.393 -0.367 . . . . 64.41 111.747 -171.541 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.53 173.79 0.1 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.596 0.713 . . . . 73.21 112.879 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 50' ' ' GLU . . . 55.45 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 CA-C-N 115.306 -0.861 . . . . 35.23 113.659 -176.36 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 76' ' ' SER . 13.5 p 179.88 165.96 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.892 0.346 . . . . 73.13 110.709 -174.196 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 75' ' ' VAL . 50.5 m -138.12 -57.45 0.66 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.889 0.376 . . . . 71.2 110.87 174.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.21 150.32 23.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.297 -0.411 . . . . 64.03 111.109 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.722 ' HB2' HD21 ' A' ' 65' ' ' LEU . 70.3 p-90 -152.37 145.97 24.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.203 0.525 . . . . 73.13 112.28 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 65' ' ' LEU . 25.5 mt-10 -131.28 130.36 42.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.765 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.85 116.69 22.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.854 0.359 . . . . 71.1 110.087 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.82 147.27 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.489 0.661 . . . . 65.31 112.552 -171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -78.31 140.23 38.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.666 . . . . 74.5 112.045 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -63.5 -17.49 62.81 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.915 -0.584 . . . . 71.04 111.34 177.604 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.4 -28.01 69.39 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.774 0.657 . . . . 64.31 112.774 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -87.18 -6.17 58.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.514 0.561 . . . . 74.24 112.514 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.0 mt -90.39 123.11 66.38 Favored Pre-proline 0 CA--C 1.541 0.602 0 O-C-N 122.169 -0.332 . . . . 74.0 111.68 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.0 166.08 30.31 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.548 2.165 . . . . 71.12 112.65 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.13 44.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.285 0.476 . . . . 64.42 112.285 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.74 -44.98 78.08 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.118 -0.492 . . . . 65.03 111.83 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.8 t -87.86 -44.27 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.389 -0.369 . . . . 62.4 111.796 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 78.4 tttt . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 112.416 0.524 . . . . 72.31 112.416 -177.991 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.989 0.423 . . . . 62.42 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.48 140.18 34.75 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.939 0.4 . . . . 72.31 111.758 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.87 137.88 49.57 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.869 0.366 . . . . 72.43 110.708 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -113.03 137.85 50.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.872 0.368 . . . . 74.32 111.827 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TYR . . . . . 0.464 ' CD1' HD21 ' A' ' 86' ' ' LEU . 48.4 m-85 -88.93 105.48 17.79 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.975 0.417 . . . . 73.04 111.483 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -127.94 168.34 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.404 -0.362 . . . . 61.31 110.615 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -133.62 170.38 15.61 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.698 0.285 . . . . 61.42 110.831 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' HB ' ' O ' ' A' ' 61' ' ' LYS . 44.7 mm -72.12 92.96 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 121.3 0.571 . . . . 54.25 111.681 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.9 p -74.15 -64.56 0.99 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.969 -0.56 . . . . 73.34 110.57 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.7 m -98.8 129.4 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.993 -0.549 . . . . 72.42 111.113 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.84 171.03 9.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.054 0.454 . . . . 71.33 111.4 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.33 10.06 73.93 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 114.605 0.602 . . . . 73.13 114.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 57.4 tptt -69.14 76.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.373 0.606 . . . . 55.54 109.957 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.35 105.68 16.18 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.901 -0.59 . . . . 72.42 110.539 -177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.6 m -69.35 84.25 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.987 0.899 . . . . 74.32 111.888 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.9 m80 . . . . . 0 CA--C 1.539 0.523 0 CA-C-N 115.193 -0.912 . . . . 72.13 111.242 176.688 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 120.652 0.263 . . . . 73.1 111.323 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -148.27 61.9 1.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.254 -0.43 . . . . 72.02 111.04 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -95.76 160.01 14.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.927 0.394 . . . . 73.3 111.399 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 92.7 m-85 -97.35 123.3 41.13 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.453 -0.34 . . . . 73.5 110.602 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -111.12 138.07 48.01 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.742 0.306 . . . . 75.11 110.949 -171.741 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 61.0 m-85 -123.89 95.39 4.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.151 0.5 . . . . 72.43 111.803 -175.307 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 8.3 tppt? -79.53 93.19 5.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.071 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -114.2 137.58 51.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 75.51 111.92 -172.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -96.88 114.26 25.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.785 0.326 . . . . 64.21 110.968 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.82 129.85 10.06 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.438 -0.41 . . . . 75.03 112.697 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 98.5 m-85 -90.69 136.54 33.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.06 0.457 . . . . 74.42 111.753 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -87.43 177.62 7.05 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.349 -0.387 . . . . 62.44 111.063 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -65.19 -31.95 73.38 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.757 1.021 . . . . 63.4 113.757 -169.059 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.41 -4.39 59.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.897 -0.502 . . . . 74.12 111.419 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.76 8.72 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.239 -0.505 . . . . 62.21 112.647 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 72.1 mmtt -77.64 160.65 28.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.404 0.282 . . . . 62.54 110.847 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -111.52 107.91 17.26 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.393 0.616 . . . . 74.41 111.601 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HZ2' ' HB2' ' A' ' 49' ' ' LYS . 4.8 ttmp? -110.61 137.46 48.26 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.882 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.87 125.23 35.68 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.086 0.402 . . . . 65.43 112.086 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.98 167.5 15.22 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.176 0.512 . . . . 74.13 111.561 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 38' ' ' LYS . 11.0 pt-20 -168.11 159.37 10.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.16 -0.473 . . . . 63.0 110.798 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -172.77 148.35 1.85 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.133 0.492 . . . . 74.03 112.207 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.514 HG22 ' HG2' ' A' ' 36' ' ' GLU . 63.0 p -101.56 123.05 44.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.195 0.522 . . . . 73.52 112.069 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.69 136.5 38.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.352 -0.386 . . . . 71.12 110.735 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.76 -31.14 61.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.875 0.369 . . . . 43.24 111.125 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -123.67 162.96 22.02 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.136 -0.483 . . . . 73.22 111.324 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.34 85.28 5.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.314 0.578 . . . . 72.11 109.909 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.09 -176.57 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.956 0.724 . . . . 61.31 112.956 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -57.44 108.04 0.5 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.947 -0.57 . . . . 75.13 111.695 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 57.8 mttp -67.51 -35.73 79.67 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.048 -0.524 . . . . 63.24 112.39 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.58 6.91 32.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.08 0.4 . . . . 72.15 112.08 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.01 23.06 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 65.3 111.861 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -100.6 113.44 26.27 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.29 0.566 . . . . 72.41 110.951 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 80' ' ' GLU . 96.0 mt -89.94 119.38 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.583 . . . . 73.44 111.649 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 31.8 mtp180 -80.78 90.07 5.82 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.942 -0.572 . . . . 75.21 109.787 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.5 m -81.49 141.84 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 64.54 112.725 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.539 ' HD2' ' HG ' ' A' ' 70' ' ' SER . 80.3 t80 -90.77 122.76 33.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.608 -1.178 . . . . 63.41 112.173 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -74.78 89.68 2.31 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.124 0.488 . . . . 70.3 110.361 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.539 ' HG ' ' HD2' ' A' ' 68' ' ' TYR . 42.8 m -80.0 156.51 27.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.842 -0.617 . . . . 54.21 112.441 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.48 -43.19 75.34 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.643 -0.708 . . . . 74.14 111.645 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -81.77 7.4 12.71 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.655 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER 64.4 164.45 0.14 Allowed 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.078 0.466 . . . . 74.0 111.297 -179.481 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLY . . . . . 0.615 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . 73.79 20.55 79.77 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.17 -1.014 . . . . 61.14 114.163 174.186 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.5 t 69.28 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 N-CA-C 113.745 1.017 . . . . 74.25 113.745 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -111.75 -23.33 10.68 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.777 -0.647 . . . . 65.15 110.637 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.79 159.81 37.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.018 -0.537 . . . . 71.04 111.138 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CE3' HD22 ' A' ' 65' ' ' LEU . 44.7 p-90 -146.89 148.06 31.43 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.066 0.46 . . . . 52.21 111.477 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 31.9 mt-10 -109.43 138.99 44.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.795 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.522 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.8 tt0 -99.08 106.86 19.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.919 0.39 . . . . 62.44 111.701 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -129.55 176.68 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.833 0.349 . . . . 52.44 110.835 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 171.84 7.93 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.302 0.572 . . . . 74.21 111.786 175.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -58.13 -11.96 3.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.552 0.575 . . . . 75.42 112.552 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.46 -15.88 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.088 0.773 . . . . 64.24 113.088 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.64 -1.03 30.97 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.738 -0.602 . . . . 60.2 111.465 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 12' ' ' TYR . 91.4 mt -93.02 130.65 35.44 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.416 0.524 . . . . 72.55 112.416 -175.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.543 ' O ' HG12 ' A' ' 90' ' ' VAL . 60.8 Cg_endo -72.99 122.23 7.95 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.528 2.152 . . . . 65.31 112.004 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.05 -22.77 1.74 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.751 0.649 . . . . 65.24 112.751 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -46.51 -45.16 18.29 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 75.44 112.117 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 87' ' ' PRO . 14.5 p -62.9 -36.77 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 120.86 0.362 . . . . 63.34 111.596 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.246 0.546 . . . . 72.14 110.868 179.406 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.523 ' HB3' ' HE1' ' A' ' 68' ' ' TYR . 29.5 mtmt . . . . . 0 CA--C 1.534 0.327 0 CA-C-O 121.237 0.541 . . . . 75.15 110.381 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.559 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 3.4 m-20 -87.69 171.89 10.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.756 -0.656 . . . . 71.53 111.669 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.5 99.98 2.23 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.725 0.774 . . . . 75.13 110.316 173.785 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.99 136.8 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 73.31 111.913 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -89.77 98.7 11.92 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.138 -0.69 . . . . 51.34 109.138 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.055 0.455 . . . . 70.01 112.224 -173.106 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 30.2 pt20 -81.21 150.31 28.68 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.936 0.398 . . . . 73.42 111.583 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HB ' ' H ' ' A' ' 62' ' ' GLU . 48.8 mm -64.64 118.62 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.182 0.438 . . . . 75.14 112.182 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -77.6 -63.43 1.38 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.877 -0.602 . . . . 74.04 110.642 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.82 148.92 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.062 -0.517 . . . . 71.33 111.454 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.97 178.95 6.28 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.344 -0.389 . . . . 71.21 110.962 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.39 55.32 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.977 -0.63 . . . . 40.12 114.351 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -87.11 130.92 34.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.629 0.714 . . . . 64.03 110.085 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.59 166.2 10.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.407 0.622 . . . . 72.21 112.454 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 36' ' ' GLU . 15.5 m -118.53 65.57 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.798 -0.637 . . . . 71.13 112.164 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 121.091 0.472 . . . . 53.2 110.782 175.821 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.4 p90 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.943 0.349 . . . . 71.0 111.943 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -131.92 107.16 8.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.906 0.384 . . . . 75.43 111.895 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 22' ' ' VAL . 4.3 m-20 -115.85 138.09 51.49 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.404 -0.591 . . . . 71.23 109.404 172.153 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 54' ' ' THR . 73.0 m-85 -88.29 146.67 25.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.755 0.65 . . . . 65.01 112.755 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' HB2' HG13 ' A' ' 22' ' ' VAL . 33.7 tt0 -112.03 117.89 33.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 74.12 111.644 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -109.06 101.12 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.063 0.458 . . . . 65.51 110.978 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.93 125.68 51.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.951 -0.568 . . . . 65.23 111.046 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.09 161.5 36.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.132 0.491 . . . . 54.43 112.042 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 84.1 m -98.26 119.48 37.0 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.972 0.415 . . . . 71.1 111.69 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 117.16 4.51 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.162 -0.542 . . . . 74.41 112.064 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -99.88 141.12 33.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 75.13 112.031 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.8 t70 -91.86 164.78 13.55 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.901 -0.591 . . . . 60.1 111.334 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -53.45 -30.51 41.09 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.054 0.761 . . . . 73.34 113.054 -178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.28 8.56 42.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.717 0.636 . . . . 74.11 112.717 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.07 17.33 56.24 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.291 -0.481 . . . . 75.25 113.428 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.2 mmtt -81.1 134.11 35.59 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.711 -0.288 . . . . 74.52 110.823 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.41 141.98 29.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.326 0.584 . . . . 72.13 112.295 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -148.91 95.69 2.44 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.886 -0.597 . . . . 55.02 110.639 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.686 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.4 tt0 -77.78 135.27 37.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.146 0.498 . . . . 73.23 112.101 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.3 pt? -145.64 165.34 29.01 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.928 -0.578 . . . . 64.42 110.703 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 142.77 30.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 71.25 111.567 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.67 149.79 35.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.105 -0.498 . . . . 73.13 111.423 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 17.6 p -96.14 146.43 24.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.266 0.555 . . . . 74.11 112.264 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.74 160.47 35.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.959 -0.564 . . . . 43.4 111.009 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -87.97 -7.47 57.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.241 -0.436 . . . . 71.41 111.67 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -145.92 149.21 33.79 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.623 -0.262 . . . . 63.34 111.621 -167.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -84.74 94.75 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.975 0.417 . . . . 64.45 110.252 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.34 -170.98 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.336 -0.393 . . . . 64.34 111.918 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 6.5 mpt_? -64.29 110.27 2.18 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.164 0.431 . . . . 61.23 112.164 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -61.87 149.63 39.76 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.402 -0.363 . . . . 74.1 111.422 177.116 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' H ' ' HB ' ' A' ' 15' ' ' ILE . 35.6 tt0 70.67 -19.13 0.23 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.935 0.717 . . . . 71.44 112.935 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.61 168.45 14.76 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.015 -0.428 . . . . 71.32 111.219 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.447 ' HB2' HG23 ' A' ' 81' ' ' VAL . 89.8 m-85 -102.24 145.13 29.88 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.502 0.668 . . . . 72.3 112.276 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 80' ' ' GLU . 75.7 mt -116.27 122.54 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 74.0 110.664 174.568 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.9 84.44 6.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.514 -0.55 . . . . 65.22 109.514 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -92.65 124.56 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.653 -0.703 . . . . 71.51 112.31 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.523 ' HE1' ' HB3' ' A' ' 8' ' ' LYS . 29.5 t80 -80.25 139.04 36.87 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.911 -1.041 . . . . 70.25 111.316 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 13.1 t-80 -99.21 128.49 45.35 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.009 0.744 . . . . 73.12 113.009 -173.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.7 m -136.36 135.59 38.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.893 -0.594 . . . . 71.21 110.354 170.184 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.46 -30.94 26.84 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.991 -0.443 . . . . 71.01 111.227 173.641 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.39 -45.41 39.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.327 -0.397 . . . . 74.23 111.768 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tmtp? -114.66 6.66 15.76 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 112.08 0.4 . . . . 74.54 112.08 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.2 -83.49 0.42 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.328 -0.463 . . . . 22.42 113.602 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.48 109.32 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.029 0.442 . . . . 63.0 110.816 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -90.76 -18.47 24.91 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.073 0.397 . . . . 71.13 112.073 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.63 148.3 1.5 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.456 0.539 . . . . 64.3 112.456 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.423 ' CE3' HD22 ' A' ' 65' ' ' LEU . 57.5 p-90 -143.17 142.59 31.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.074 0.464 . . . . 61.32 110.889 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -115.03 141.49 47.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.371 -0.377 . . . . 65.11 110.979 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.507 ' HA ' HD23 ' A' ' 65' ' ' LEU . 25.4 tt0 -84.48 119.6 25.34 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.72 0.295 . . . . 64.53 110.73 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 64' ' ' PHE . 27.5 m -130.54 130.49 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-O 121.443 0.639 . . . . 65.51 111.535 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -83.23 161.7 21.43 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.85 -0.531 . . . . 74.24 111.653 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -47.22 72.53 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.28 -0.418 . . . . 74.23 111.852 -174.519 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -73.9 -12.5 60.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.437 0.532 . . . . 73.31 112.437 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.03 -29.32 58.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 71.24 110.653 173.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.75 144.48 28.67 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.044 -0.526 . . . . 64.22 111.124 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.31 140.82 72.29 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.6 2.2 . . . . 72.11 112.925 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.04 -25.34 58.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.28 0.562 . . . . 71.42 111.664 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.35 -15.11 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.002 -0.544 . . . . 70.23 112.298 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.59 -46.18 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.877 0.37 . . . . 72.24 111.518 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 113.146 0.795 . . . . 74.51 113.146 -172.769 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.217 0.532 . . . . 60.14 110.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.65 178.86 1.91 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.752 0.649 . . . . 72.34 112.752 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.1 pm0 -86.56 146.99 26.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.772 0.796 . . . . 73.01 112.887 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.14 151.55 37.36 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.308 -0.86 . . . . 74.22 110.354 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -90.88 106.51 18.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.822 0.344 . . . . 64.3 110.685 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.414 HG12 ' CA ' ' A' ' 41' ' ' GLY . 26.9 m -100.98 147.47 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.146 0.498 . . . . 40.24 112.033 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.99 154.89 26.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.876 -0.602 . . . . 52.03 110.633 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.443 HG13 ' HA ' ' A' ' 61' ' ' LYS . 42.9 mm -69.35 86.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.284 0.564 . . . . 62.34 111.762 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 39' ' ' LEU . 63.7 p -77.88 -45.01 25.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.003 -0.544 . . . . 74.13 111.061 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.06 131.24 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.792 -0.64 . . . . 71.45 110.816 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -122.52 154.35 37.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.32 0.581 . . . . 73.25 112.53 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.47 4.55 31.74 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 115.61 1.004 . . . . 72.22 115.61 169.551 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.94 89.8 2.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.594 1.197 . . . . 72.13 110.113 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 7.8 pt-20 -72.45 150.8 43.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.987 -1.006 . . . . 52.01 113.479 -172.016 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.03 93.17 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.956 -1.02 . . . . 75.13 110.917 173.712 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' HIS . . . . . 0.524 ' HB3' ' HG3' ' A' ' 33' ' ' LYS . 6.1 p-80 . . . . . 0 CA--C 1.54 0.594 0 O-C-N 121.972 -0.455 . . . . 75.31 111.127 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.712 -0.477 . . . . 75.13 109.712 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG3' ' HB3' ' A' ' 23' ' ' HIS . 51.4 tttm -167.68 92.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.839 0.352 . . . . 71.54 110.205 -170.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.74 143.42 33.13 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.075 0.398 . . . . 72.52 112.075 -172.727 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 82.9 m-85 -84.6 137.34 33.34 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.865 -0.42 . . . . 64.44 109.865 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -120.78 144.69 48.17 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 75.4 111.437 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 58.8 m-85 -132.31 111.39 11.32 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.081 -0.509 . . . . 74.14 111.276 -174.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -103.12 88.78 3.23 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.054 0.454 . . . . 74.23 109.868 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 25.4 mt -104.36 144.67 31.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.179 -0.464 . . . . 73.22 112.14 -170.16 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.9 m -73.63 117.51 15.49 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.792 0.33 . . . . 53.44 111.147 175.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' CA ' HG12 ' A' ' 13' ' ' VAL . . . -102.16 128.01 9.41 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.296 -0.478 . . . . 51.25 112.579 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 93.3 m-85 -94.61 137.29 33.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.096 0.474 . . . . 73.15 111.597 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.407 ' CB ' ' HB2' ' A' ' 47' ' ' LYS . 15.4 t70 -69.18 147.38 51.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.192 -0.458 . . . . 72.41 109.773 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.69 -11.95 49.5 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.524 0.564 . . . . 75.42 112.524 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.49 -49.55 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.772 0.32 . . . . 74.15 110.606 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.31 75.4 0.02 OUTLIER Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.994 -0.622 . . . . 65.54 113.76 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 63.8 mttm -143.61 161.55 38.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.574 0.35 . . . . 65.04 110.559 175.548 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -111.73 124.58 52.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.703 0.287 . . . . 53.01 111.448 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -152.67 120.75 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.962 -0.385 . . . . 73.41 109.962 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.04 130.11 39.17 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.781 0.66 . . . . 72.4 112.781 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.422 HD11 ' ND1' ' A' ' 69' ' ' HIS . 3.9 mm? -110.94 140.74 45.19 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.727 -0.67 . . . . 44.22 109.809 172.483 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -137.76 139.63 40.18 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.032 0.444 . . . . 70.54 112.102 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 52.8 p90 -157.07 161.55 39.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.143 0.497 . . . . 73.22 112.313 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 p -98.38 157.86 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.071 -0.513 . . . . 70.03 111.108 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.42 179.65 6.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.129 0.49 . . . . 62.24 111.987 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -35.44 11.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.074 -0.512 . . . . 75.24 112.023 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -127.16 179.54 5.38 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.009 0.433 . . . . 71.13 111.115 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -77.09 107.78 9.7 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.756 -0.831 . . . . 64.24 108.756 166.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.26 174.41 4.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.097 0.475 . . . . 64.33 112.194 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -64.56 100.08 0.35 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.414 0.626 . . . . 72.52 110.986 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' HG13 ' A' ' 15' ' ' ILE . 31.6 mtmm -69.32 14.53 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.121 1.156 . . . . 62.45 114.121 -169.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -139.38 -7.75 1.32 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.974 -0.454 . . . . 63.25 111.697 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 175.92 9.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 25.43 111.847 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.84 136.3 52.63 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.102 -0.499 . . . . 74.02 110.168 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 4.2 mp -110.41 130.63 55.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.054 0.454 . . . . 74.15 111.652 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -84.74 95.85 9.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.399 -0.593 . . . . 64.51 109.399 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 78' ' ' TRP . 31.3 m -99.48 135.18 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.765 0.654 . . . . 62.25 112.765 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.22 105.88 3.12 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.35 -0.841 . . . . 73.32 110.859 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.422 ' ND1' HD11 ' A' ' 51' ' ' LEU . 11.9 t60 -74.18 96.92 2.84 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.009 0.433 . . . . 61.12 111.429 -173.682 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' SER . . . . . 0.533 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 29.2 m -120.23 118.36 30.26 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.466 -0.333 . . . . 55.51 111.146 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -53.71 -62.72 1.47 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.757 0.651 . . . . 42.45 112.757 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 20.78 1.19 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.06 0.763 . . . . 74.41 113.06 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 24.3 tptm -143.23 -8.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.871 0.367 . . . . 53.25 111.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.3 -82.68 0.13 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.854 -0.499 . . . . 65.22 111.854 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 74.2 t -140.11 116.94 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 122.802 0.441 . . . . 72.24 110.412 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.8 t -87.61 -18.3 29.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.637 0.256 . . . . 64.44 111.66 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.14 148.99 15.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.588 -0.278 . . . . 72.22 111.381 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.474 ' HB3' HG12 ' A' ' 67' ' ' VAL . 47.2 p-90 -145.67 140.95 27.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.928 0.394 . . . . 75.35 111.947 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 32.0 mt-10 -120.94 136.48 54.95 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.532 -0.304 . . . . 51.41 110.99 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.51 106.25 18.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.55 -0.295 . . . . 73.03 110.872 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -115.17 163.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.178 0.513 . . . . 64.0 112.191 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -100.55 147.47 25.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.432 -0.349 . . . . 65.44 111.43 -178.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.97 -24.7 55.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.446 0.536 . . . . 75.01 112.446 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.05 -50.71 72.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.268 0.556 . . . . 71.11 111.543 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.88 -2.43 56.44 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.902 -0.59 . . . . 72.22 111.611 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.3 mt -93.28 145.03 29.27 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.476 -0.329 . . . . 74.44 110.901 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 38.1 Cg_exo -61.82 105.62 0.39 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.318 2.012 . . . . 54.42 112.44 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.53 18.45 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.425 -0.352 . . . . 55.0 111.62 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -39.97 -40.19 0.98 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.883 0.873 . . . . 74.43 112.402 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.7 t -57.83 -46.35 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 120.901 0.381 . . . . 75.31 111.718 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 116.605 -0.271 . . . . 65.34 111.667 -179.461 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' N ' ' HH ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 109.889 -0.411 . . . . 74.3 109.889 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ASP . . . . . 0.751 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 19.5 m-20 -138.27 113.15 9.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.757 -0.201 . . . . 73.11 110.556 173.72 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.03 111.95 24.67 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.312 0.577 . . . . 61.11 110.991 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.55 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.25 -0.432 . . . . 72.45 111.392 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -95.06 100.41 12.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.986 0.422 . . . . 74.44 111.021 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.55 148.67 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.429 -0.35 . . . . 64.25 111.231 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -105.63 175.38 5.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.177 0.513 . . . . 54.23 111.617 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.416 HG21 ' O ' ' A' ' 60' ' ' ARG . 48.3 mm -79.5 105.19 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.007 -0.542 . . . . 71.32 111.835 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.1 p -96.93 -69.21 0.77 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.46 -0.337 . . . . 75.44 111.199 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -103.29 128.45 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.017 0.436 . . . . 71.34 111.422 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.58 167.57 16.18 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.094 0.473 . . . . 60.21 111.94 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.19 8.0 64.39 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 114.788 0.675 . . . . 64.2 114.788 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.18 90.42 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.528 0.664 . . . . 71.41 110.499 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.742 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 12.6 pt-20 -80.27 121.51 25.73 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.509 0.671 . . . . 73.55 111.673 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' VAL . 16.6 m -108.54 89.3 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.658 0.742 . . . . 65.25 111.45 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 CA--C 1.54 0.573 0 CA-C-N 116.041 -0.527 . . . . 71.14 110.908 176.699 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.492 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 87.4 m-85 . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 120.661 0.267 . . . . 65.25 110.817 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.14 108.41 6.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.767 0.318 . . . . 73.25 111.548 174.382 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.561 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 4.4 m-20 -85.49 146.98 26.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.515 -0.311 . . . . 72.25 110.516 175.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.13 117.62 29.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.948 0.404 . . . . 74.11 110.903 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' HG22 ' A' ' 54' ' ' THR . 42.8 tt0 -84.57 105.15 15.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.375 0.509 . . . . 74.21 112.375 -172.763 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' HB3' HD21 ' A' ' 39' ' ' LEU . 95.8 m-85 -96.12 92.73 6.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.492 172.574 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 16.4 ttpt -99.15 106.82 19.05 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 122.269 -0.269 . . . . 64.04 110.539 176.645 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 39' ' ' LEU . 1.4 mm? -114.43 135.85 53.65 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.964 0.411 . . . . 60.34 111.552 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -75.87 98.87 4.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.031 0.443 . . . . 74.44 110.019 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.38 130.95 19.15 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 116.135 -0.484 . . . . 64.13 112.951 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -96.99 132.44 42.8 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.866 0.365 . . . . 74.11 111.44 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.79 158.85 31.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.315 -0.402 . . . . 62.31 112.064 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -50.71 -39.86 52.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.313 0.645 . . . . 74.4 112.208 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.67 -56.83 12.7 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.14 0.495 . . . . 72.4 111.063 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.22 48.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.488 -0.778 . . . . 61.25 111.472 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -112.86 -179.35 3.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.684 0.393 . . . . 74.52 111.154 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.88 138.92 53.12 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.912 0.387 . . . . 75.42 111.2 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -144.31 141.53 29.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.229 -0.294 . . . . 61.11 110.409 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.78 114.78 26.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 122.031 -0.418 . . . . 73.43 111.895 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.75 146.84 46.65 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 120.712 0.291 . . . . 71.25 110.977 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -147.46 124.91 11.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.83 0.307 . . . . 73.5 111.83 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.41 127.69 33.92 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.186 0.517 . . . . 72.2 111.21 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' THR . . . . . 0.561 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 25.5 p -96.57 112.75 24.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.065 0.46 . . . . 74.02 112.006 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.97 150.93 20.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.972 0.415 . . . . 65.34 111.952 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -77.79 -16.7 58.18 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.594 0.59 . . . . 60.24 112.594 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -139.61 160.64 39.39 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.769 0.318 . . . . 71.12 111.317 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.23 119.04 10.16 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.574 -0.528 . . . . 74.12 109.574 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.459 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 84.2 mt -80.52 -89.17 0.07 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.282 0.845 . . . . 72.34 113.282 -170.184 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' HD2' ' C ' ' A' ' 59' ' ' LEU . 11.0 mpt_? -125.32 -163.9 1.24 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.78 0.324 . . . . 71.25 111.444 -172.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -129.05 -77.02 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.015 0.436 . . . . 74.5 111.08 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -87.54 -18.38 29.9 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.825 0.345 . . . . 74.51 111.554 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.61 49.28 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.105 0.479 . . . . 70.11 112.224 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 83' ' ' LYS . 10.8 m-85 -98.23 160.45 14.28 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.793 0.806 . . . . 64.52 111.839 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 80' ' ' GLU . 29.1 mt -131.44 135.55 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.366 -0.833 . . . . 72.51 110.899 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 35.8 mtp-105 -80.74 90.46 5.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.33 -0.395 . . . . 63.44 110.264 175.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.9 t -86.23 126.6 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.489 0.662 . . . . 72.31 111.915 -176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 32.3 t80 -89.41 128.13 35.9 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.376 -0.829 . . . . 63.11 112.139 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' HIS . . . . . 0.751 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 25.3 t-80 -92.1 129.98 37.93 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.312 0.486 . . . . 73.55 112.312 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -140.41 168.92 18.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.148 -0.478 . . . . 65.35 110.98 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.9 -68.05 0.61 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.15 0.426 . . . . 75.33 112.15 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -87.48 -4.05 59.0 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.333 0.864 . . . . 54.3 113.333 -170.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -113.29 -24.99 9.06 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.277 -0.264 . . . . 74.04 111.677 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.21 -64.93 2.74 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.545 -0.836 . . . . 31.0 111.681 -172.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 90.1 t -124.56 119.74 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.935 0.397 . . . . 70.14 111.017 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -92.95 -26.18 17.68 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.834 0.309 . . . . 75.21 111.834 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -171.47 166.34 6.88 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.808 0.337 . . . . 71.21 111.864 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 39.9 p-90 -152.05 134.14 15.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.248 -0.433 . . . . 72.2 111.109 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -121.22 144.95 48.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.218 0.532 . . . . 72.3 111.696 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.535 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.3 tt0 -76.11 127.25 32.54 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.709 -0.678 . . . . 73.34 112.273 -174.626 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.12 151.28 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-O 121.397 0.618 . . . . 73.42 112.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.7 mtpp -84.73 148.52 26.32 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.965 -0.561 . . . . 40.3 110.708 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -83.18 3.94 28.77 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.069 0.461 . . . . 64.42 111.628 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -107.67 -10.53 15.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.81 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.8 pt-20 -97.27 -10.52 25.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.007 0.432 . . . . 64.42 111.275 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.81 158.67 72.69 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.605 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -49.41 143.72 19.87 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.914 2.41 . . . . 70.31 113.593 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -29.07 22.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.108 0.781 . . . . 74.44 113.108 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.64 -22.47 66.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.571 0.582 . . . . 72.53 112.571 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.12 -52.5 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.31 110.539 175.053 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 CA--C 1.541 0.606 0 CA-C-N 116.242 -0.435 . . . . 63.45 111.176 176.321 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.2 mttt . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.834 0.35 . . . . 73.12 111.049 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -112.38 149.21 32.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.804 0.335 . . . . 70.11 111.861 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' HE ' ' A' ' 66' ' ' ARG . 1.9 pm0 -114.75 132.98 56.27 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.922 0.392 . . . . 64.12 110.673 170.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.09 126.32 51.95 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.269 -0.269 . . . . 75.52 110.961 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.08 99.86 12.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.013 0.435 . . . . 74.2 110.491 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.5 150.07 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.23 -0.441 . . . . 60.32 111.674 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 28.3 pt20 -97.57 134.79 40.31 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.036 0.446 . . . . 62.4 111.215 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 47.3 mm -70.62 97.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.207 0.527 . . . . 74.34 112.086 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -82.34 -44.94 15.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.059 -0.519 . . . . 75.32 111.461 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.67 139.77 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.254 -0.43 . . . . 61.11 111.586 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -131.41 161.99 31.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.805 0.336 . . . . 65.41 111.591 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.97 9.69 22.41 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 114.696 0.639 . . . . 51.14 114.696 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 64.9 tttm -78.78 138.67 38.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.445 0.623 . . . . 63.53 109.998 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -127.63 158.91 36.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.313 0.578 . . . . 74.53 112.016 -173.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.68 57.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.286 0.565 . . . . 73.12 110.496 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.768 0.795 . . . . 65.04 111.075 -177.367 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.009 0.433 . . . . 75.11 111.377 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mtmp? -88.15 69.19 9.22 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 73.22 110.988 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -86.59 166.9 15.04 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.934 0.397 . . . . 70.03 110.878 175.73 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -86.8 156.39 19.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.26 0.552 . . . . 62.41 112.126 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -154.32 138.8 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.918 -173.791 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -129.76 102.06 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.366 -0.379 . . . . 63.33 110.796 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 22.7 ttpp -94.19 120.22 34.13 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.799 0.333 . . . . 73.15 111.034 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.41 161.6 40.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.498 0.665 . . . . 62.41 112.221 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 37.1 m -84.07 109.82 17.98 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.991 -0.55 . . . . 73.34 112.057 -178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 154.71 36.66 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.276 -0.488 . . . . 41.54 112.679 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.89 126.52 48.87 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.016 0.436 . . . . 75.02 111.594 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 14.6 t70 -71.5 154.72 41.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.955 -0.566 . . . . 73.24 111.121 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.79 -27.28 59.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.092 0.775 . . . . 70.15 113.092 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.4 0.68 55.12 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.048 0.451 . . . . 72.05 111.76 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.63 46.59 3.96 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.299 -0.477 . . . . 63.33 112.58 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.679 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 92.2 mttt -121.15 -179.6 4.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.501 0.32 . . . . 52.32 110.909 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.38 160.96 15.74 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.099 0.777 . . . . 73.33 113.099 -174.518 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 22.7 tptt -170.11 93.55 0.23 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.889 -0.596 . . . . 74.44 110.882 167.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 2.3 tm-20 -80.2 107.03 12.66 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.168 -0.469 . . . . 42.04 110.628 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 pp -138.6 175.22 9.75 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.504 0.557 . . . . 55.01 112.504 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' HB3' ' HG3' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -132.56 157.9 43.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.904 0.383 . . . . 53.35 111.831 -179.147 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' HD13 ' A' ' 65' ' ' LEU . 52.6 p90 -140.68 151.33 44.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 62.23 110.808 173.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.2 p -108.71 140.26 42.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.402 0.519 . . . . 72.42 112.402 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.8 167.38 16.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.831 -0.622 . . . . 64.43 110.857 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -85.34 -47.94 9.53 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.162 0.506 . . . . 75.25 111.062 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -126.57 163.77 22.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.022 -0.535 . . . . 74.33 110.753 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.46 118.9 8.16 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.347 -0.388 . . . . 72.32 110.897 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -90.12 -172.3 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.171 0.51 . . . . 74.03 112.186 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.74 111.75 20.42 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.086 0.469 . . . . 70.41 112.168 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 21.4 ptmt -76.65 162.84 27.41 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.172 0.511 . . . . 55.41 112.122 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 64.29 7.99 3.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.729 0.776 . . . . 72.54 111.485 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.75 150.93 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 71.0 109.935 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 38.0 m-85 -82.39 156.54 24.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 74.03 110.425 176.468 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 78' ' ' TRP . 1.5 tt -145.68 126.82 14.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.331 0.586 . . . . 62.3 111.232 -173.211 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HE ' ' HG3' ' A' ' 10' ' ' GLU . 63.5 ttt180 -81.35 92.42 6.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.426 -0.807 . . . . 73.41 110.794 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.23 137.9 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.708 0.766 . . . . 72.54 112.275 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.79 130.6 37.54 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.857 -1.065 . . . . 65.42 112.189 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -74.96 103.96 5.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.953 0.406 . . . . 72.43 111.605 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -100.9 149.37 23.95 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.452 -0.34 . . . . 71.31 111.653 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.33 -41.85 98.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.119 -0.491 . . . . 75.11 111.734 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -83.02 -0.08 47.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.371 -0.377 . . . . 74.32 111.759 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.505 ' NZ ' ' HB2' ' A' ' 73' ' ' LYS . 0.1 OUTLIER 63.78 -161.78 0.28 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.667 0.387 . . . . 73.1 110.129 -167.698 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.6 -17.63 5.3 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 120.589 -0.815 . . . . 61.24 113.499 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t 64.07 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.495 0.664 . . . . 74.04 112.577 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -74.67 -11.38 60.17 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.701 0.63 . . . . 73.1 112.701 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -159.11 136.24 9.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.79 0.328 . . . . 72.52 111.573 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' TRP . . . . . 0.435 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 64.1 p-90 -147.89 137.39 22.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.001 0.429 . . . . 73.13 111.781 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -123.34 138.27 54.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.362 -0.381 . . . . 72.43 111.255 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -83.92 128.89 34.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.525 -0.307 . . . . 72.3 110.648 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.52 146.02 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.592 0.71 . . . . 62.51 112.238 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.043 -0.526 . . . . 73.5 110.804 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.01 -33.31 75.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.381 0.61 . . . . 62.35 109.978 172.378 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.83 -21.65 64.82 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.675 -0.693 . . . . 73.51 111.759 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -85.68 -0.4 55.05 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.913 0.338 . . . . 65.41 111.913 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.32 123.52 52.39 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.099 0.407 . . . . 63.02 112.099 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 156.3 21.17 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.262 1.974 . . . . 54.42 112.271 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.41 28.41 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.977 0.417 . . . . 42.23 111.733 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.32 -24.64 29.96 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.549 0.574 . . . . 74.32 112.549 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.51 -42.86 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.38 0.61 . . . . 62.22 110.688 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.539 0.547 0 CA-C-N 116.13 -0.486 . . . . 70.14 111.737 -178.558 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.107 0.479 . . . . 65.35 111.723 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.89 108.54 6.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.236 -0.29 . . . . 74.21 111.116 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.2 pt? -65.38 -59.65 3.8 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 111.336 0.125 . . . . 72.54 111.336 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.483 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 2.5 m-20 46.9 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.09 0.774 . . . . 75.31 113.09 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -133.92 -8.12 2.73 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.293 -0.412 . . . . 73.43 111.26 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.9 mtm 52.69 -93.25 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.846 0.459 . . . . 73.44 112.149 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.71 35.83 58.32 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 121.17 -0.538 . . . . 73.44 113.18 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -86.47 147.2 26.09 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.931 0.396 . . . . 73.11 111.854 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.891 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 12.2 m-20 -83.73 153.94 23.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.5 -0.318 . . . . 74.41 110.995 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HG2' ' HE2' ' A' ' 44' ' ' LYS . 13.6 pt-20 -137.91 123.17 19.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.209 0.528 . . . . 62.44 110.399 171.431 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 43' ' ' ASP . 90.0 m-85 -102.95 121.01 41.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 74.52 111.27 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -80.39 100.55 8.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.26 -0.427 . . . . 64.01 110.64 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG12 ' HA2' ' A' ' 41' ' ' GLY . 5.2 m -105.85 165.34 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.224 0.535 . . . . 73.11 111.415 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -129.24 115.97 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.564 -0.532 . . . . 71.31 109.564 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -65.09 93.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.281 0.562 . . . . 63.53 112.13 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.4 p -98.56 -37.19 9.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.572 -0.74 . . . . 55.01 111.233 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.2 m -89.61 119.5 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.194 0.521 . . . . 74.54 111.252 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -131.67 160.83 34.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.397 0.517 . . . . 75.51 112.397 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.69 9.85 70.55 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 116.097 1.199 . . . . 75.33 116.097 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 91.4 mttt -71.75 86.56 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.144 0.972 . . . . 74.13 112.013 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.98 109.2 16.87 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.102 0.477 . . . . 73.3 111.035 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 22' ' ' VAL . 19.9 m -88.89 86.99 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 122.094 0.95 . . . . 72.2 111.323 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -65.12 -4.55 5.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.54 -0.754 . . . . 72.14 111.865 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -63.64 -10.57 19.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.154 -0.475 . . . . 65.22 111.461 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -82.23 14.13 3.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.641 0.608 . . . . 75.3 112.641 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . -50.31 -45.71 54.88 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 111.835 0.309 . . . . 71.21 111.835 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 44.79 -80.26 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.612 0.967 . . . . 72.0 113.612 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ALA . 27.5 t-20 -66.11 -35.77 81.38 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.366 0.603 . . . . 71.22 111.142 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.65 34.19 1.02 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.982 -0.554 . . . . 61.04 112.536 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.513 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . 76.7 mt-30 -116.4 -177.74 3.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 65.23 111.341 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -97.75 10.1 40.92 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.604 0.594 . . . . 71.05 112.604 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 30' ' ' GLN . 54.4 p90 -71.63 139.22 49.22 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.051 0.453 . . . . 71.23 111.181 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -135.59 131.5 35.96 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.322 -0.399 . . . . 74.05 111.896 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.65 159.86 19.72 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.076 -0.342 . . . . 61.15 110.076 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 96.2 m-85 -108.18 139.61 42.6 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.203 -0.311 . . . . 72.3 111.37 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -102.56 125.28 49.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.848 0.356 . . . . 73.43 111.625 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.46 89.31 3.07 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.399 -0.364 . . . . 75.22 110.88 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.05 121.56 42.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.422 -0.354 . . . . 74.12 110.658 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.74 176.54 12.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.477 0.547 . . . . 73.13 112.477 -172.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.6 m -93.91 117.85 30.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 63.12 111.155 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -98.27 133.84 11.48 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.212 -0.518 . . . . 45.14 113.13 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.96 116.54 32.74 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.78 0.324 . . . . 63.22 111.181 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -82.19 -179.86 7.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.691 0.626 . . . . 72.02 112.691 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' A' ' 10' ' ' GLU . 68.6 mttm -66.04 -33.39 75.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.828 -0.624 . . . . 64.1 111.91 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.6 -50.57 62.6 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.333 0.587 . . . . 72.05 110.567 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.84 41.01 0.47 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.809 -0.632 . . . . 65.02 112.764 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -106.28 -179.28 3.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.907 0.384 . . . . 61.32 110.804 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -119.04 107.61 13.72 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.112 0.482 . . . . 73.5 110.961 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -98.34 135.76 39.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.311 -0.404 . . . . 70.25 110.984 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -95.11 117.64 30.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.37 -0.234 . . . . 74.24 110.37 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.2 pt? -141.5 140.59 33.54 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.214 0.53 . . . . 75.11 111.806 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.36 110.35 13.26 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.929 -0.578 . . . . 72.14 110.255 174.063 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -109.19 135.26 50.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.141 0.496 . . . . 71.15 110.959 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 34.5 p -99.25 131.11 45.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.993 -0.548 . . . . 74.44 111.032 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.78 47.7 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.265 -0.425 . . . . 72.51 111.502 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -35.81 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.071 0.462 . . . . 73.23 110.707 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 57' ' ' LYS . 47.6 mtpt -110.28 160.83 16.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.387 -0.37 . . . . 50.01 111.371 177.04 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -85.21 123.26 30.5 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.559 -0.534 . . . . 64.42 109.559 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.08 -174.52 3.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.981 0.734 . . . . 71.03 112.981 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -75.19 111.52 10.53 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.365 0.602 . . . . 73.11 112.51 -174.5 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -78.81 157.4 28.41 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.661 -0.7 . . . . 72.34 111.518 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 43.2 tt0 68.56 2.52 3.42 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.036 0.535 . . . . 72.34 112.066 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.63 163.58 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.93 -0.482 . . . . 73.22 111.936 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.32 109.88 22.31 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 61.4 109.862 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 78' ' ' TRP . 2.7 tt -102.26 123.21 45.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.002 0.43 . . . . 73.14 111.086 -171.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -87.98 105.43 17.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.403 -0.362 . . . . 72.25 110.658 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.71 121.97 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.111 0.412 . . . . 45.54 112.111 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.48 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -72.84 149.47 43.54 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.832 0.349 . . . . 71.2 111.135 176.393 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.891 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 53.4 t-80 -142.26 135.87 29.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.246 0.546 . . . . 55.35 112.192 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -144.75 147.11 32.56 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.954 -0.566 . . . . 64.53 110.082 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.18 -38.09 76.02 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.658 0.985 . . . . 74.32 113.658 -172.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -74.82 -13.01 60.52 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.414 1.264 . . . . 73.44 114.414 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -151.2 2.82 0.43 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.412 -0.805 . . . . 73.15 112.907 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 71.71 -82.15 0.5 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.973 -0.632 . . . . 52.31 113.387 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.12 147.07 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 120.934 0.397 . . . . 43.53 111.769 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.436 ' HB2' ' HE2' ' A' ' 68' ' ' TYR . 48.9 m -151.43 -60.45 0.17 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.131 0.491 . . . . 73.1 111.327 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 68' ' ' TYR . . . -101.57 145.51 28.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.962 0.41 . . . . 64.05 111.819 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.545 ' HB2' HD21 ' A' ' 65' ' ' LEU . 40.0 p-90 -160.85 151.46 18.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.322 -0.399 . . . . 73.04 111.55 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -132.44 147.85 52.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.506 0.67 . . . . 72.04 112.443 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -96.27 119.56 34.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.443 -0.799 . . . . 74.13 111.394 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.86 177.28 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.442 0.639 . . . . 72.42 111.926 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -118.67 162.79 17.82 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.006 -0.543 . . . . 75.2 110.514 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.91 62.55 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.834 0.35 . . . . 71.11 111.892 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.6 -33.74 64.73 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.01 0.433 . . . . 72.03 111.208 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.21 -26.34 39.2 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.116 -0.493 . . . . 64.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.35 154.73 86.04 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.537 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.28 140.41 88.38 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.386 2.057 . . . . 74.33 112.469 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.26 46.67 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.926 0.393 . . . . 73.0 111.654 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.37 -29.93 59.39 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.158 -0.474 . . . . 70.34 111.814 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.28 -38.13 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.051 0.453 . . . . 74.43 110.792 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.14 -30.8 65.38 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.001 -0.545 . . . . 73.4 110.741 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -78.6 -9.56 59.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.292 0.568 . . . . 52.3 110.793 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HG3' HD12 ' A' ' 94' ' ' LEU . 59.6 tptt -90.7 -60.79 1.82 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.932 -0.576 . . . . 71.11 109.958 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.443 HD12 ' HG3' ' A' ' 93' ' ' LYS . 10.3 mp -120.16 133.31 55.53 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.342 -0.39 . . . . 70.23 110.824 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.61 18.19 21.59 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.978 -0.63 . . . . 51.14 113.631 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.65 141.07 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.089 0.471 . . . . 71.2 111.897 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -115.28 161.71 18.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.239 -0.437 . . . . 65.52 111.542 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -75.09 170.8 15.31 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.329 -0.396 . . . . 63.01 110.858 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 44.4 tt0 64.84 11.9 7.31 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.498 0.666 . . . . 73.34 111.369 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -84.41 -6.05 59.34 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.775 -0.578 . . . . 63.31 111.932 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -83.59 18.15 1.99 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.09 -0.382 . . . . 73.23 111.259 172.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.77 102.96 0.11 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.827 0.451 . . . . 55.24 111.908 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -146.11 145.18 30.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.425 -0.352 . . . . 75.33 110.868 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -69.89 152.41 44.55 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.81 0.338 . . . . 54.42 111.077 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.717 -0.659 . . . . 63.33 111.424 179.331 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.844 0.354 . . . . 63.13 111.321 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.69 85.54 0.12 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.313 0.578 . . . . 73.01 112.38 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.601 HD12 ' HB2' ' A' ' 77' ' ' ALA . 2.4 pt? -91.43 2.15 56.62 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.936 -0.575 . . . . 72.32 111.674 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -49.28 -40.47 34.63 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.197 0.814 . . . . 74.4 113.197 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 5' ' ' ARG . 55.8 mmt-85 -125.25 43.54 3.02 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.359 0.503 . . . . 73.44 112.359 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 3' ' ' LEU . 87.3 mtp -96.98 101.6 13.21 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.386 -0.37 . . . . 73.42 110.386 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.27 62.57 0.52 Allowed Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.349 -0.929 . . . . 40.04 113.786 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 15.9 tptm -81.0 -125.26 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 O-C-N 122.496 -0.414 . . . . 73.35 110.576 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.55 106.46 3.47 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.873 -0.517 . . . . 73.2 111.343 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 118.79 36.19 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.455 0.645 . . . . 55.45 110.652 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -93.48 139.62 30.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.0 -0.546 . . . . 71.25 111.315 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.04 100.21 12.68 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.773 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.92 162.31 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.953 0.406 . . . . 62.45 111.354 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -133.7 143.14 48.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.514 -0.312 . . . . 71.54 110.457 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 39' ' ' LEU . 40.2 mm -69.72 92.96 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 121.206 0.527 . . . . 70.02 112.05 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 p -86.82 -65.47 1.01 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.331 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -95.76 109.39 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 121.291 0.567 . . . . 60.41 111.819 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.89 -178.75 3.44 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.256 0.55 . . . . 73.11 111.971 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.9 7.94 63.11 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 121.158 -0.544 . . . . 61.4 114.016 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 65.1 mttm -80.04 155.39 27.61 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.99 0.395 . . . . 51.23 110.983 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.13 147.45 36.72 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.969 0.414 . . . . 54.42 111.842 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.9 m -92.35 81.49 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 122.041 0.924 . . . . 71.43 110.594 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -80.72 -13.31 59.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.524 -0.762 . . . . 63.11 111.621 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 30.1 t -67.91 69.05 0.12 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.453 -0.794 . . . . 75.54 112.488 -176.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 24' ' ' SER . 2.0 tpmt? 165.37 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.731 0.777 . . . . 75.34 111.105 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.99 -14.26 58.71 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.321 0.86 . . . . 62.22 113.321 -171.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -60.24 -22.65 63.29 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.142 1.164 . . . . 74.01 114.142 -171.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -88.29 6.86 35.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.89 -0.506 . . . . 64.43 111.975 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.86 60.25 0.05 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.636 -0.586 . . . . 75.44 111.636 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 mt-30 -63.54 86.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.161 0.8 . . . . 70.03 113.161 -169.226 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -142.05 -1.2 1.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.883 -0.599 . . . . 74.52 110.804 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -136.36 114.58 11.58 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.396 -0.365 . . . . 75.21 111.04 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -142.96 113.81 7.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.507 -0.315 . . . . 74.33 110.864 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 22' ' ' VAL . 26.2 m-20 -86.37 149.19 25.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.888 0.375 . . . . 73.3 110.582 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.27 154.02 33.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.357 0.599 . . . . 71.14 111.992 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 37.4 tt0 -119.89 131.97 55.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.747 -0.661 . . . . 75.12 111.21 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HE2' ' HB3' ' A' ' 55' ' ' ALA . 97.5 m-85 -123.28 103.91 8.81 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.826 0.346 . . . . 70.22 111.073 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -95.25 87.19 4.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.124 0.488 . . . . 53.0 110.443 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 15' ' ' ILE . 35.4 mt -106.06 162.03 13.97 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.183 0.516 . . . . 73.31 112.176 -173.797 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -109.67 117.4 33.81 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.323 -0.399 . . . . 74.14 111.024 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.92 130.3 10.19 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.34 -0.457 . . . . 61.21 112.851 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -90.68 132.32 35.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.172 0.51 . . . . 64.31 111.689 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.536 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 30.2 t70 -77.71 168.15 20.42 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.849 -0.614 . . . . 75.54 111.842 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.31 -30.01 68.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.077 -0.511 . . . . 70.45 112.363 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.43 -8.65 50.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.246 0.546 . . . . 72.3 110.888 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.39 25.1 8.42 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.152 -0.476 . . . . 41.42 113.681 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 66.8 mmtt -89.5 173.43 8.34 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.182 -0.599 . . . . 73.21 111.485 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -108.93 129.98 55.44 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.309 0.485 . . . . 71.13 112.309 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.25 140.53 47.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.303 -0.408 . . . . 75.42 110.396 172.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.23 113.47 20.07 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.032 0.444 . . . . 73.34 111.803 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.587 HD12 HG11 ' A' ' 67' ' ' VAL . 4.1 mm? -99.55 82.8 2.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.492 0.663 . . . . 50.45 110.203 173.063 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.43 99.27 9.1 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.736 -0.666 . . . . 54.12 110.477 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -128.25 173.03 10.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.496 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.5 p -121.72 158.37 28.9 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.306 0.575 . . . . 75.22 112.305 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB3' ' HE2' ' A' ' 37' ' ' TYR . . . -147.37 137.47 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 74.55 110.005 176.217 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.16 -34.58 77.86 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.193 -0.317 . . . . 71.23 111.841 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -129.0 153.6 47.42 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.934 0.397 . . . . 72.4 111.36 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.71 133.14 48.78 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.248 -0.433 . . . . 61.43 111.372 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 pp -105.15 -165.24 1.11 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.262 -0.426 . . . . 74.41 112.05 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -61.42 115.84 4.2 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.854 0.359 . . . . 74.34 111.775 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 48.0 mtpt -69.98 -50.39 42.19 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.442 0.534 . . . . 71.34 112.442 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.42 21.07 7.51 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.401 0.519 . . . . 63.31 112.401 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.15 179.76 4.17 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.864 0.364 . . . . 75.03 111.393 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' HB2' HG23 ' A' ' 81' ' ' VAL . 69.7 m-85 -113.38 161.93 16.7 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.411 -0.359 . . . . 75.32 110.779 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 80' ' ' GLU . 87.6 mt -130.75 123.79 29.99 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.886 0.374 . . . . 75.4 111.859 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -81.99 91.39 6.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.843 0.354 . . . . 70.04 110.366 171.028 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.587 HG11 HD12 ' A' ' 51' ' ' LEU . 60.0 t -85.12 129.21 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.031 0.443 . . . . 72.32 111.327 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' HD2' ' H ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -69.18 137.63 53.44 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.181 0.515 . . . . 72.31 111.656 177.971 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.73 147.57 37.61 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.02 -0.537 . . . . 74.01 110.722 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 m -146.45 -169.11 3.19 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.786 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.38 -34.05 64.0 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.162 0.506 . . . . 71.14 111.119 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -69.17 -14.8 63.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.855 0.687 . . . . 64.03 112.855 178.64 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.6 ttmt 67.28 -72.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.148 -0.686 . . . . 72.24 109.148 -164.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.63 -79.76 0.01 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.665 1.026 . . . . 43.4 115.665 168.346 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.7 t 68.22 102.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.0 0.52 . . . . 71.02 110.985 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.497 ' H ' ' HD2' ' A' ' 68' ' ' TYR . 93.0 p -123.57 -42.08 2.23 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.198 0.444 . . . . 74.41 112.198 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.601 ' HB2' HD12 ' A' ' 3' ' ' LEU . . . -129.6 148.22 51.47 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.548 0.573 . . . . 54.03 112.548 -177.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -147.93 152.35 37.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.867 -0.606 . . . . 73.01 111.496 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -126.78 149.57 49.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.888 0.375 . . . . 73.11 111.608 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.503 ' HA ' HD23 ' A' ' 65' ' ' LEU . 52.0 mt-10 -85.02 108.31 17.56 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.949 -0.569 . . . . 71.43 111.254 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.553 HG23 ' HB2' ' A' ' 64' ' ' PHE . 35.4 m -112.18 171.83 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 121.113 0.482 . . . . 63.24 111.578 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -118.2 167.09 11.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.391 0.615 . . . . 74.23 112.589 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -60.7 -14.6 21.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.722 -0.672 . . . . 74.5 112.47 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.46 -37.71 78.86 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.303 0.483 . . . . 70.31 112.303 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 10.4 pt-20 -93.41 3.69 55.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.829 0.347 . . . . 63.41 111.687 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.534 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 80.2 mt -136.51 52.96 6.74 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-N 116.399 -0.364 . . . . 64.33 111.79 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.534 ' HD3' ' N ' ' A' ' 86' ' ' LEU . 8.6 Cg_exo -72.08 172.17 15.27 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.309 2.006 . . . . 72.22 113.243 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.56 -37.21 62.68 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.476 0.547 . . . . 44.34 112.476 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' HE2' ' HG2' ' A' ' 87' ' ' PRO . 61.2 pttt -58.12 -24.41 58.66 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.261 0.467 . . . . 60.02 112.261 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 87.7 t -77.97 -56.07 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.96 0.41 . . . . 73.11 110.988 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.23 -4.61 26.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.271 -0.422 . . . . 60.45 111.566 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.55 -46.77 88.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.859 0.463 . . . . 64.32 111.141 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 4.0 mppt? -96.96 -55.93 2.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.57 -0.286 . . . . 74.54 111.763 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 93' ' ' LYS . 91.9 mt 67.39 106.2 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.09 0.471 . . . . 52.14 111.637 -173.749 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.86 -44.73 3.3 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 121.07 -0.586 . . . . 75.34 113.835 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.583 ' HB ' ' HB3' ' A' ' 93' ' ' LYS . 31.4 t -58.16 139.28 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.043 0.449 . . . . 73.53 112.092 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 105.07 10.13 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.368 -0.378 . . . . 72.31 111.896 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 98' ' ' LEU . 1.7 pt? -134.65 105.89 6.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.341 0.591 . . . . 65.1 110.405 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -79.73 -52.99 7.24 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.122 -0.49 . . . . 74.34 111.427 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -140.23 151.2 44.97 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.794 0.331 . . . . 74.23 111.107 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -82.61 132.4 35.19 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.448 0.536 . . . . 72.43 112.448 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -136.83 98.4 3.77 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.87 -0.605 . . . . 74.2 110.143 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -65.11 -32.44 74.14 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.445 -0.343 . . . . 72.41 111.779 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -174.97 164.17 3.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.097 0.475 . . . . 72.12 111.722 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.675 -0.678 . . . . 74.02 110.053 168.916 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 120.673 0.273 . . . . 72.14 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.74 93.75 4.34 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.214 0.531 . . . . 51.15 110.713 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.569 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.4 pt? -92.69 0.6 57.45 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.171 -0.468 . . . . 64.4 111.493 177.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -84.92 -42.61 14.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.346 -0.388 . . . . 64.53 111.76 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -108.8 -57.35 2.15 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.473 -0.33 . . . . 74.04 111.498 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 53.1 mtt 59.0 -169.48 0.13 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.317 0.58 . . . . 64.5 112.51 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.85 21.89 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 CA-C-N 115.979 -0.555 . . . . 71.23 113.525 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 65.39 148.64 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.531 0.681 . . . . 72.03 112.657 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.632 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 71.4 m-20 -108.48 133.87 52.04 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.166 0.508 . . . . 74.04 110.861 173.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -126.12 102.34 7.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.586 0.708 . . . . 75.12 111.098 -174.799 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 90.9 m-85 -92.46 104.18 16.52 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.927 -0.483 . . . . 73.23 110.548 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -87.11 101.6 13.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.11 0.481 . . . . 71.24 111.028 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' CG1' ' HA2' ' A' ' 41' ' ' GLY . 36.0 m -123.85 173.86 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 74.32 111.912 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -122.22 170.08 10.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.931 0.396 . . . . 74.01 110.714 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -70.55 90.89 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.132 0.491 . . . . 72.44 112.035 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -80.41 -67.3 0.78 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.266 -0.424 . . . . 43.22 110.9 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.17 119.72 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.191 0.519 . . . . 74.22 111.288 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -130.39 160.69 33.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.111 0.482 . . . . 71.01 111.882 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.45 68.09 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 114.581 0.593 . . . . 44.15 114.581 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 36' ' ' GLU . 66.0 tttm -70.28 91.29 0.73 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 117.697 0.749 . . . . 63.44 110.431 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -79.29 96.48 5.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.949 -0.569 . . . . 65.32 111.501 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 34' ' ' ASP . 17.1 m -75.08 78.95 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.274 1.035 . . . . 74.43 110.801 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' NE2' ' HB2' ' A' ' 30' ' ' GLN . 68.6 t60 -92.37 9.52 33.79 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.886 -1.052 . . . . 70.52 111.169 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -92.73 67.13 4.48 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.381 0.512 . . . . 41.41 112.381 -174.772 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 86.5 tttt -170.01 14.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.088 0.471 . . . . 64.2 111.267 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.41 -62.24 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.62 0.6 . . . . 60.51 112.62 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 61.43 94.9 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.034 0.445 . . . . 44.22 112.15 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 57.94 30.06 18.58 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.735 0.643 . . . . 73.03 112.735 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.81 60.75 0.06 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.644 -0.789 . . . . 74.14 113.363 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' HB2' ' NE2' ' A' ' 23' ' ' HIS . 4.2 pt20 -89.13 86.88 6.98 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.784 0.661 . . . . 73.11 112.784 -176.117 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -133.74 22.57 3.93 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.171 -0.468 . . . . 74.12 111.558 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -142.44 158.21 43.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.19 0.519 . . . . 73.05 111.651 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.76 152.76 45.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.874 -0.603 . . . . 74.22 111.646 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' HG23 ' A' ' 22' ' ' VAL . 8.7 m-20 -131.3 150.97 51.93 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.905 -0.589 . . . . 74.44 110.12 173.125 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.28 129.68 52.1 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.617 0.246 . . . . 75.11 111.381 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HB3' ' HD3' ' A' ' 20' ' ' LYS . 42.0 tt0 -100.56 127.42 46.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.88 0.372 . . . . 74.31 111.343 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.8 94.5 4.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 72.05 111.287 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 87.9 tttt -94.82 93.01 7.23 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.231 0.538 . . . . 74.14 109.809 173.386 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -104.55 146.7 28.52 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 73.34 111.62 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 84.9 m -82.65 99.61 9.69 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.997 0.427 . . . . 74.44 111.618 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 13' ' ' VAL . . . -88.25 130.47 10.13 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 116.239 -0.437 . . . . 54.24 113.085 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -90.36 117.42 29.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.325 0.583 . . . . 65.33 111.352 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.38 164.87 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.665 -0.698 . . . . 41.33 111.84 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.632 ' NZ ' ' HA ' ' A' ' 9' ' ' ASP . 63.1 mttp -55.93 -34.31 65.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.144 0.424 . . . . 70.22 112.144 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -76.86 0.96 18.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.201 0.445 . . . . 61.1 112.201 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.46 5.18 79.46 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.393 -0.432 . . . . 54.44 112.815 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -74.44 156.86 36.52 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.622 -0.34 . . . . 70.11 111.688 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.99 102.29 10.78 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.562 0.696 . . . . 71.35 111.073 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -105.98 145.09 31.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.816 -0.629 . . . . 64.42 110.928 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.48 115.99 28.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.461 0.648 . . . . 71.1 111.713 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.2 mm? -101.63 105.49 16.43 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.253 -0.43 . . . . 73.53 110.663 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 9.5 pt-20 -98.48 117.29 32.59 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.139 0.495 . . . . 64.54 111.531 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.001 0.429 . . . . 73.23 111.34 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -89.35 143.99 26.41 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.202 0.525 . . . . 75.23 111.451 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.77 165.53 19.11 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.463 0.649 . . . . 65.4 112.045 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.51 -25.39 31.11 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.501 -0.772 . . . . 71.42 112.605 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.543 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 7.9 mtpm? -138.09 170.84 15.33 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.084 0.469 . . . . 70.11 111.938 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -72.26 103.39 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.807 -0.633 . . . . 64.31 109.601 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.28 149.54 45.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.796 0.331 . . . . 61.02 111.474 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 60' ' ' ARG . 54.1 mtt180 -57.15 109.68 0.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.553 0.575 . . . . 75.51 112.553 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 28.4 mtpp -61.29 137.72 58.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.323 -0.399 . . . . 75.1 110.769 175.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 51.8 mm-40 73.72 10.63 4.74 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.459 0.703 . . . . 64.1 112.829 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.92 155.73 16.64 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.804 0.335 . . . . 65.43 110.875 173.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -101.22 117.42 34.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.163 0.506 . . . . 32.31 111.559 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.517 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 92.3 mt -93.04 119.6 32.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.244 -0.434 . . . . 62.43 111.711 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 42.9 ttm180 -82.04 90.29 6.5 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.384 -0.371 . . . . 71.33 110.08 173.211 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 11' ' ' TYR . 59.6 t -84.6 123.18 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.576 0.703 . . . . 74.41 111.928 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.59 126.66 35.39 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.105 -0.952 . . . . 73.41 111.404 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 11.7 t-160 -74.56 121.32 21.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.995 -0.548 . . . . 70.41 110.876 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.1 t -129.59 177.21 7.38 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.103 0.478 . . . . 73.51 112.126 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.9 -54.39 3.35 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.854 -0.612 . . . . 70.14 112.02 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -48.94 -41.04 32.54 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.883 1.068 . . . . 74.44 113.883 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -150.77 28.28 0.7 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.483 0.659 . . . . 53.2 111.05 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 -47.95 2.66 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.081 -0.581 . . . . 74.21 113.11 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.31 146.31 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 120.907 0.384 . . . . 71.2 110.876 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.6 t -135.88 -35.94 0.77 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.116 0.484 . . . . 71.43 111.255 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.4 146.62 42.44 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.381 -0.372 . . . . 70.34 111.678 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.452 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 63.4 p-90 -151.78 144.44 24.28 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.023 0.439 . . . . 75.31 111.289 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 37.9 mt-10 -115.32 143.24 45.57 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.032 0.444 . . . . 72.32 111.191 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HA ' HD23 ' A' ' 65' ' ' LEU . 42.6 tt0 -101.25 91.94 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 74.53 110.242 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 85' ' ' GLU . 30.3 m -112.89 176.02 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.365 0.602 . . . . 75.33 112.436 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -119.1 170.12 9.34 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.935 -0.575 . . . . 75.41 112.078 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.74 -21.9 63.47 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 112.099 0.407 . . . . 64.35 112.099 178.882 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.15 -24.16 66.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.27 0.557 . . . . 75.22 110.812 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 26.9 mm-40 -86.42 -51.17 6.38 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.873 -0.603 . . . . 63.14 111.034 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HB3' HG21 ' A' ' 90' ' ' VAL . 82.9 mt -93.78 114.91 64.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.946 -0.57 . . . . 71.15 111.822 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.32 162.21 31.24 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.403 2.069 . . . . 61.03 113.035 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -21.47 4.0 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.624 0.602 . . . . 70.14 112.624 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -45.55 -32.25 2.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.704 0.402 . . . . 63.41 111.804 176.066 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 86' ' ' LEU . 67.4 t -60.53 -59.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 62.22 111.374 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -74.75 -25.38 59.05 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.355 0.502 . . . . 64.4 112.355 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.02 -45.42 18.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.17 0.433 . . . . 73.33 112.17 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 4.6 mptp? -93.75 -60.53 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.135 -0.353 . . . . 71.43 111.692 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.564 HD22 HG13 ' A' ' 96' ' ' VAL . 4.9 tt 175.44 -42.42 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.043 0.449 . . . . 45.11 110.473 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 120.35 -13.79 10.21 Favored Glycine 0 CA--C 1.524 0.601 0 CA-C-N 116.055 -0.521 . . . . 35.21 111.814 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.564 HG13 HD22 ' A' ' 94' ' ' LEU . 29.0 m -59.47 152.64 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.246 0.546 . . . . 73.13 112.199 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.07 126.7 35.55 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.256 -0.429 . . . . 44.11 110.958 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 98' ' ' LEU . 1.5 pt? -138.81 84.54 2.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.492 0.663 . . . . 73.1 111.11 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' A' ' 101' ' ' HIS . 8.1 pt-20 -149.76 -26.41 0.26 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.906 0.706 . . . . 62.21 112.906 -173.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 62.28 27.28 16.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.472 0.653 . . . . 75.53 110.482 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.531 ' H ' ' HG3' ' A' ' 99' ' ' GLU . 7.9 t-80 -85.41 106.71 16.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.925 -0.579 . . . . 74.13 111.452 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -177.81 102.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.074 -0.512 . . . . 73.34 110.126 173.777 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -70.14 120.02 15.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.162 0.506 . . . . 72.23 112.265 -174.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 1.8 p80 -138.45 108.98 6.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.736 -0.666 . . . . 74.34 109.452 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 60.9 m80 . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.379 -0.819 . . . . 63.54 111.394 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 1' ' ' MET . 25.3 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 121.204 0.526 . . . . 75.32 111.548 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.39 127.1 33.81 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.11 0.481 . . . . 64.54 111.54 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.34 8.07 10.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.351 -0.386 . . . . 74.11 111.954 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 22.0 m120 -70.8 115.9 10.48 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.791 0.293 . . . . 73.23 111.791 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 52.51 65.47 1.5 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.901 -0.591 . . . . 71.11 112.374 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.7 mtp -87.69 12.24 13.21 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.107 0.41 . . . . 74.44 112.107 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.18 132.47 11.15 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.771 -0.728 . . . . 63.53 113.894 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 9' ' ' ASP . 13.9 mptt -83.94 -141.38 0.07 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 122.482 0.313 . . . . 74.33 110.175 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 4.7 m-20 -69.82 143.43 52.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.645 -0.659 . . . . 74.41 111.623 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HG2' HH21 ' A' ' 66' ' ' ARG . 7.1 tp10 -126.81 107.81 10.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.353 -0.385 . . . . 62.21 110.92 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HB2' HG23 ' A' ' 67' ' ' VAL . 9.3 m-85 -96.17 129.79 43.39 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.139 0.495 . . . . 72.31 111.796 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -100.29 101.91 13.03 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.076 -0.511 . . . . 75.33 111.568 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.87 -179.56 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 116.429 -0.35 . . . . 72.12 111.586 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 24.4 pt20 -134.71 160.65 37.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.807 0.337 . . . . 53.42 111.097 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.9 107.3 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 121.141 0.496 . . . . 74.05 111.986 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 p -86.99 -64.56 1.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.102 -0.499 . . . . 73.15 111.631 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -128.66 137.67 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 120.928 0.394 . . . . 65.54 111.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -131.02 -173.94 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.175 0.512 . . . . 64.45 111.44 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.4 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.603 0.601 . . . . 65.23 114.603 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 47.6 mtpt -70.62 90.47 0.76 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.765 0.783 . . . . 74.4 110.365 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 9.8 pt-20 -82.1 108.33 15.49 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.706 0.765 . . . . 73.25 112.048 -175.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 22' ' ' VAL . 22.6 m -89.26 100.24 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.928 0.87 . . . . 72.44 111.373 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -72.06 34.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.415 -0.811 . . . . 74.33 111.443 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -87.9 30.85 0.81 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.429 0.529 . . . . 65.2 112.429 -170.594 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -136.13 27.97 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.217 0.532 . . . . 73.2 110.058 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 30' ' ' GLN . . . -112.11 10.16 20.29 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.529 0.937 . . . . 71.33 113.529 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.74 -29.87 60.26 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.382 0.882 . . . . 73.35 113.382 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -77.06 -18.37 58.12 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.032 0.444 . . . . 75.22 111.785 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.67 45.43 0.43 Allowed Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.412 -0.423 . . . . 60.11 112.271 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.484 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . 28.9 mm-40 -115.73 177.52 4.64 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.747 0.308 . . . . 73.44 111.427 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -140.66 2.92 1.84 Allowed 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.057 0.762 . . . . 65.2 113.057 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -75.84 163.35 27.32 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.27 0.471 . . . . 71.11 112.27 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -128.74 161.47 29.65 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.014 0.746 . . . . 74.32 113.014 -170.456 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 14.6 m-20 -130.58 145.08 51.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.193 -0.912 . . . . 65.32 109.777 166.521 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -84.31 115.33 22.43 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.632 0.253 . . . . 52.11 111.504 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.68 136.34 37.42 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.125 0.417 . . . . 74.21 112.125 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 92.7 m-85 -126.66 100.21 6.11 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.077 -0.51 . . . . 72.53 110.544 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HG2' ' HB3' ' A' ' 52' ' ' GLU . 13.9 tmtt? -110.65 124.12 51.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.098 -0.501 . . . . 71.51 110.158 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.81 165.71 35.69 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.381 0.61 . . . . 75.01 112.597 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.2 m -90.02 115.95 27.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.25 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.79 109.94 3.42 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.157 -0.544 . . . . 63.4 112.775 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.3 p90 -110.8 122.36 47.64 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.154 0.502 . . . . 61.13 111.68 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 28.0 t70 -156.13 -176.57 6.03 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.81 -0.632 . . . . 75.34 110.563 -173.852 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' H ' ' CG ' ' A' ' 43' ' ' ASP . 34.0 tptt 82.22 -61.86 0.16 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.847 0.859 . . . . 74.32 111.385 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.63 35.04 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.434 0.635 . . . . 72.22 111.081 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.75 44.17 6.53 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.059 -0.591 . . . . 65.43 113.761 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 91.6 mttt -124.51 144.93 49.84 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.49 -0.418 . . . . 73.32 110.444 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -94.93 140.86 29.35 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.043 0.449 . . . . 75.12 111.353 -175.434 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -138.27 149.0 45.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.065 0.459 . . . . 63.32 111.327 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.0 108.98 18.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.043 0.449 . . . . 63.5 111.715 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.7 133.37 55.93 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.881 0.372 . . . . 75.53 111.012 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB3' ' HG2' ' A' ' 38' ' ' LYS . 10.4 pt-20 -150.4 114.41 5.07 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.333 0.587 . . . . 73.54 111.678 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -125.67 159.5 32.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.142 -0.481 . . . . 74.12 111.189 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 71.7 p -116.33 118.69 33.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.08 0.467 . . . . 74.21 112.256 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.66 146.16 25.6 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.029 0.443 . . . . 72.15 111.507 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.91 -24.22 59.66 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.215 0.531 . . . . 73.21 111.431 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -120.77 150.09 41.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.01 -0.541 . . . . 72.01 110.532 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.67 115.49 10.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.977 0.418 . . . . 73.42 110.031 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -78.43 -174.04 3.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.15 -0.477 . . . . 74.22 112.21 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 92.6 mtt180 -57.7 178.16 0.09 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.237 0.541 . . . . 73.51 111.596 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 2.7 mptp? -120.16 -72.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.105 -0.372 . . . . 74.41 110.809 173.176 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.21 73.67 5.8 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.548 0.69 . . . . 65.51 110.975 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.2 165.09 22.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 42.03 111.16 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -103.12 163.06 12.45 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.545 0.688 . . . . 75.33 111.958 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 78' ' ' TRP . 3.5 tt -148.14 126.44 12.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.6 -0.727 . . . . 65.05 109.588 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.559 HH21 ' HG2' ' A' ' 10' ' ' GLU . 77.5 mtp180 -88.97 121.93 31.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.619 -0.264 . . . . 74.42 110.447 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 11' ' ' TYR . 28.3 m -112.62 120.06 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 122.202 1.001 . . . . 72.2 112.022 -176.124 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 24.2 t80 -69.92 99.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.33 -1.305 . . . . 73.31 111.655 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 38.3 t-80 -80.1 98.25 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.0 0.428 . . . . 72.12 111.391 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 t -99.05 154.0 18.44 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.071 -0.513 . . . . 54.01 110.338 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.94 -16.4 50.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.809 0.67 . . . . 74.32 112.809 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.92 -10.89 60.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.0 0.37 . . . . 74.54 112.0 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 67.35 178.62 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.166 0.507 . . . . 63.35 112.01 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.64 1.52 53.55 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.092 -0.504 . . . . 72.14 113.795 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.1 t 66.4 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.655 0.74 . . . . 62.54 112.222 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.45 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 45.2 t -81.63 -37.56 27.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.016 -0.538 . . . . 75.33 111.477 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -154.57 157.51 38.37 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.463 -0.335 . . . . 73.54 111.001 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.55 ' HB2' HD21 ' A' ' 65' ' ' LEU . 66.1 p-90 -136.25 119.42 16.6 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.062 0.458 . . . . 75.41 111.272 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.87 125.8 52.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.892 0.377 . . . . 75.21 110.673 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -88.06 121.37 30.39 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.78 0.324 . . . . 61.25 111.307 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.04 -178.5 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 121.572 0.701 . . . . 54.31 112.817 -173.258 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -115.33 167.29 10.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.835 -0.621 . . . . 74.22 110.783 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -70.02 -20.86 63.24 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.185 0.439 . . . . 72.24 112.185 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.28 -21.35 64.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.029 0.442 . . . . 75.5 111.5 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -96.06 4.85 52.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.987 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.0 mt -101.41 150.2 37.01 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.348 -0.387 . . . . 74.12 111.049 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HG2' HG23 ' A' ' 90' ' ' VAL . 15.8 Cg_endo -57.54 143.04 95.53 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.278 1.985 . . . . 51.23 112.289 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.35 61.67 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.299 0.481 . . . . 65.1 112.299 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.864 ' HB3' HG23 ' A' ' 96' ' ' VAL . 40.3 mmtm -56.3 -35.45 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.234 0.457 . . . . 70.01 112.234 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 87' ' ' PRO . 66.6 t -68.3 -40.43 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.077 0.465 . . . . 52.34 111.333 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -80.64 -25.92 38.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.975 -0.557 . . . . 71.21 111.608 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -95.68 -54.25 3.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.921 0.712 . . . . 73.1 112.921 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.82 -43.34 4.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.058 0.762 . . . . 60.13 113.058 -168.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 tt 71.97 123.1 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.174 0.589 . . . . 64.13 110.659 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.27 -46.47 1.16 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 121.485 -0.388 . . . . 72.33 112.689 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.864 HG23 ' HB3' ' A' ' 89' ' ' LYS . 30.3 m -84.44 161.23 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 122.761 -0.258 . . . . 64.33 110.852 175.182 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -144.18 0.05 1.02 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.477 1.288 . . . . 74.13 114.477 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.6 tp -103.65 132.24 50.08 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.691 -0.631 . . . . 52.14 112.61 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.564 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 81.6 mm-40 -105.7 -86.11 0.48 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.005 0.372 . . . . 74.24 112.005 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 31.5 m80 50.61 87.71 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.886 0.698 . . . . 72.31 112.886 -174.03 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -116.71 108.68 16.2 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.875 0.369 . . . . 70.12 110.936 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 68.0 m80 62.64 85.54 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.81 -0.632 . . . . 71.14 111.611 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -72.02 107.12 4.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.147 -0.686 . . . . 73.4 109.147 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.01 94.9 0.25 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.39 0.885 . . . . 75.32 113.39 -170.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--O 1.255 1.35 0 CA-C-N 115.405 -0.816 . . . . 72.13 113.028 171.893 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.528 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.154 0.502 . . . . 75.22 111.397 . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.55 76.14 6.61 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.962 0.41 . . . . 73.34 111.767 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.3 pt? -55.93 -19.88 13.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.482 0.549 . . . . 64.54 112.482 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -62.68 -28.05 69.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.962 0.41 . . . . 75.03 111.743 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -122.72 8.99 9.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.445 -0.343 . . . . 71.23 111.807 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 63.5 mtt -125.15 132.4 53.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.951 0.405 . . . . 52.14 111.717 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.69 35.35 46.37 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.262 -0.494 . . . . 51.42 112.813 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 11.2 mmpt? -99.97 151.14 21.68 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.697 0.284 . . . . 52.23 111.328 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 69' ' ' HIS . 18.8 m-20 -75.17 112.37 11.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.692 0.282 . . . . 62.22 111.721 175.163 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 66' ' ' ARG . 13.0 pt-20 -106.61 120.73 42.74 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.174 0.511 . . . . 74.33 111.256 176.171 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -116.82 134.51 54.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.292 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.16 100.44 12.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.062 0.458 . . . . 73.53 110.919 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.42 141.18 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 120.862 0.363 . . . . 62.23 111.853 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.3 pt20 -92.19 139.19 30.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.761 0.315 . . . . 63.23 110.904 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.671 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 22.3 mm -66.14 125.24 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.04 0.448 . . . . 72.33 111.023 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.8 p -84.52 -71.18 0.53 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.986 -0.552 . . . . 72.44 111.897 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.6 148.66 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.916 0.389 . . . . 61.1 111.51 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.2 172.3 11.95 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.156 0.503 . . . . 42.35 111.513 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.51 7.29 64.14 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.821 0.689 . . . . 61.41 114.821 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.09 91.01 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.77 0.785 . . . . 64.44 110.878 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.75 138.76 46.7 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.057 0.456 . . . . 54.23 111.76 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.1 m -80.3 64.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.642 0.735 . . . . 45.11 111.183 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -79.21 38.34 0.35 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.922 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -55.04 -53.23 58.5 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.697 0.628 . . . . 71.4 112.697 -172.403 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -164.84 93.9 0.65 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.829 0.824 . . . . 73.45 111.643 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.32 8.32 13.87 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.428 -0.805 . . . . 74.33 110.902 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.92 85.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.881 -0.599 . . . . 75.1 111.717 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 178.46 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 71.31 109.899 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.93 -40.4 0.67 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 121.041 -0.599 . . . . 62.31 113.472 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.9 pm0 -95.29 151.9 18.85 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 122.391 -0.476 . . . . 70.32 111.548 -179.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -82.48 129.96 35.01 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.792 0.33 . . . . 65.51 111.517 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -102.33 105.59 16.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.407 -0.36 . . . . 71.45 110.559 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -147.12 80.94 1.53 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.507 0.558 . . . . 65.13 112.507 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -115.39 144.71 43.39 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.709 -0.478 . . . . 74.21 109.709 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -81.04 132.48 35.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.166 0.508 . . . . 72.33 112.036 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 54' ' ' THR . 33.1 tt0 -87.17 124.36 33.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.595 -0.73 . . . . 74.13 111.518 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 98.6 m-85 -120.64 108.04 13.54 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.985 0.422 . . . . 75.11 111.595 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -117.86 116.09 26.27 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.007 -0.542 . . . . 70.04 110.562 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.62 154.7 43.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.012 0.434 . . . . 54.44 112.155 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.7 m -108.7 123.55 49.17 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.969 0.414 . . . . 73.45 111.863 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.17 126.95 8.93 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 116.332 -0.394 . . . . 42.14 112.662 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -103.25 106.26 16.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.757 0.313 . . . . 52.25 111.158 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -163.08 174.1 12.67 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.649 -0.25 . . . . 74.03 110.937 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 40.8 ttmt 61.02 70.85 0.59 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.351 0.596 . . . . 73.41 111.131 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 65.75 18.99 11.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.69 -0.686 . . . . 72.24 112.679 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.88 17.47 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.228 -0.511 . . . . 53.45 114.122 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 75.9 mmtt -69.47 121.36 16.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.149 0.475 . . . . 61.42 110.883 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.81 102.61 13.72 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.459 0.647 . . . . 72.45 110.872 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 tptp -104.46 131.22 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 70.34 111.091 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 95.65 10.35 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.367 0.603 . . . . 72.35 110.615 172.392 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 67' ' ' VAL . 3.9 mp -88.08 144.3 26.58 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 73.24 111.219 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -134.61 129.57 35.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.988 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 21.1 p90 -150.97 130.4 12.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.302 -0.408 . . . . 74.5 111.302 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 36' ' ' GLU . 44.6 p -100.14 129.73 46.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 72.12 111.616 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.41 144.79 42.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.312 -0.403 . . . . 73.13 111.751 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -64.16 -28.69 69.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.109 0.411 . . . . 72.4 112.109 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -134.87 156.87 48.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.865 0.364 . . . . 75.34 111.76 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -58.88 120.45 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.814 0.672 . . . . 55.0 112.814 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.1 mt -85.59 170.51 12.51 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.087 -0.506 . . . . 63.21 110.764 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -88.04 133.66 33.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.979 0.418 . . . . 73.45 110.959 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.76 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -100.92 170.52 8.24 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.15 0.426 . . . . 72.34 112.15 -174.542 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 74.33 -43.74 0.54 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.42 0.688 . . . . 74.43 111.47 -175.386 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.12 30.46 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.001 0.429 . . . . 71.24 111.538 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 56.5 m-85 -100.38 157.54 16.55 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.261 0.553 . . . . 71.51 112.186 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 15' ' ' ILE . 2.8 mp -131.4 145.37 51.78 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.08 -0.509 . . . . 61.34 110.39 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HG3' ' HB2' ' A' ' 10' ' ' GLU . 39.2 ttm180 -81.44 98.28 8.16 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.651 -0.5 . . . . 61.42 109.651 170.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 51' ' ' LEU . 22.1 m -88.79 125.42 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.944 0.878 . . . . 74.22 111.867 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.424 ' HE1' ' HD3' ' A' ' 8' ' ' LYS . 28.7 t80 -69.51 99.6 1.28 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.519 -1.219 . . . . 70.5 110.572 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.485 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 13.0 t-80 -78.06 109.98 12.61 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.878 -0.601 . . . . 55.02 111.94 -177.807 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -125.11 132.69 53.08 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.643 -0.708 . . . . 63.02 110.95 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.43 -17.33 12.54 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.015 0.376 . . . . 72.34 112.015 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -56.67 -62.48 1.7 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 111.997 0.369 . . . . 74.52 111.997 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.12 19.86 2.61 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.832 0.825 . . . . 74.31 111.376 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.22 -67.09 2.81 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 121.124 -0.56 . . . . 34.34 112.577 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.52 110.86 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 120.823 0.344 . . . . 50.51 111.387 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.7 m -103.65 -6.74 21.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.861 0.362 . . . . 50.24 111.372 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.88 151.0 23.12 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.602 -0.272 . . . . 54.34 111.418 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.5 ' HB3' HG12 ' A' ' 67' ' ' VAL . 14.2 p-90 -156.73 141.33 16.82 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.832 0.349 . . . . 72.31 111.912 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -136.72 147.72 46.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.398 -0.365 . . . . 74.54 111.135 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.18 139.86 37.88 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.846 0.684 . . . . 73.34 112.846 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.72 127.27 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.136 0.575 . . . . 73.4 110.667 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -73.87 134.49 43.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.801 -0.562 . . . . 70.24 111.656 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.66 -18.48 59.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 73.31 111.707 -177.181 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.76 -20.35 65.94 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.272 0.471 . . . . 72.03 112.272 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.5 5.64 14.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.461 0.541 . . . . 71.34 112.461 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 83' ' ' LYS . 10.9 mp -78.82 143.09 61.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-O 120.657 0.265 . . . . 71.12 111.337 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.414 ' O ' HG12 ' A' ' 90' ' ' VAL . 24.8 Cg_endo -59.81 142.65 99.03 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.992 2.461 . . . . 61.23 113.771 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.53 69.78 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.783 0.661 . . . . 44.35 112.783 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.415 ' HD3' ' H ' ' A' ' 89' ' ' LYS . 4.1 mppt? -60.48 -35.5 76.06 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.379 0.511 . . . . 42.21 112.379 -176.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 87' ' ' PRO . 12.9 p -82.71 -33.62 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 120.969 0.414 . . . . 42.42 110.955 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 6.0 tmtm? -63.92 -26.85 68.78 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.209 0.528 . . . . 74.24 110.136 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -53.11 -25.34 12.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.907 -0.588 . . . . 74.55 111.647 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 10.7 mptt -104.93 -41.94 5.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.996 0.427 . . . . 74.51 110.889 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.19 88.45 5.46 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.334 0.587 . . . . 75.34 110.568 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.4 -45.06 1.36 Allowed Glycine 0 CA--C 1.526 0.731 0 CA-C-N 116.094 -0.503 . . . . 43.11 112.787 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -92.45 155.88 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.93 0.395 . . . . 71.13 110.716 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -101.57 110.63 22.66 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.169 -0.332 . . . . 71.23 111.693 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.9 pt? -56.77 97.91 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.853 0.835 . . . . 63.34 111.098 174.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -96.54 -51.08 4.47 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.408 -0.814 . . . . 70.12 111.799 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 61.73 103.45 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.038 0.447 . . . . 63.54 111.9 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.78 103.45 7.73 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.208 0.528 . . . . 74.31 111.764 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -71.88 146.76 47.68 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.013 -0.54 . . . . 75.15 111.025 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -82.02 130.6 35.13 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.163 0.506 . . . . 74.2 111.996 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -144.21 136.34 26.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.876 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.7 m80 . . . . . 0 C--O 1.256 1.401 0 CA-C-O 118.788 -0.625 . . . . 55.11 111.636 -178.403 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.99 0.424 . . . . 62.34 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -93.42 80.06 4.38 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.251 0.548 . . . . 72.4 110.878 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.08 12.5 3.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.418 0.525 . . . . 62.42 112.418 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -111.68 14.46 21.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.745 0.307 . . . . 73.22 111.798 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 93.1 mtt180 -125.32 8.17 7.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.879 0.371 . . . . 72.14 111.514 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 ptm -136.8 21.33 3.07 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.354 0.872 . . . . 72.21 113.354 -167.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -73.25 72.84 1.13 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 119.651 -1.261 . . . . 61.32 112.626 -177.645 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 21.3 pttp -69.72 144.61 52.75 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.819 0.674 . . . . 73.03 112.819 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -168.69 -179.58 3.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 64.42 110.48 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.91 114.17 20.1 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.007 0.432 . . . . 52.2 111.115 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.695 ' HE1' ' HB2' ' A' ' 69' ' ' HIS . 79.0 m-85 -92.2 136.14 33.43 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 122.219 -0.3 . . . . 74.43 110.944 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.75 100.17 11.73 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.07 0.462 . . . . 71.12 110.709 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -120.88 148.14 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 112.371 0.508 . . . . 73.32 112.371 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -93.56 148.05 22.44 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.67 -0.493 . . . . 74.45 109.67 176.017 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 23.7 mm -65.6 93.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 73.32 111.847 -177.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -80.23 -59.73 2.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.429 . . . . 75.02 111.558 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.46 125.44 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 121.106 0.479 . . . . 62.15 111.892 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -131.28 164.97 24.42 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.143 0.497 . . . . 63.43 111.997 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.89 9.18 65.61 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 114.794 0.678 . . . . 73.21 114.794 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -68.73 95.64 0.68 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.573 0.687 . . . . 70.41 111.519 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 42.9 mt-10 -75.21 106.32 6.67 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.303 0.573 . . . . 73.43 112.144 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 m -84.4 83.91 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.826 0.822 . . . . 53.42 112.634 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.733 ' HB3' ' HD3' ' A' ' 33' ' ' LYS . 33.1 p-80 -89.65 5.88 43.8 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.791 -0.641 . . . . 70.3 111.019 173.333 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -64.2 -18.74 64.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.721 -0.672 . . . . 71.4 111.581 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -102.68 27.21 7.14 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.013 0.435 . . . . 33.12 111.709 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.77 98.11 3.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.043 0.449 . . . . 71.45 110.265 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -89.28 123.29 33.35 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.56 0.578 . . . . 73.22 112.56 -171.541 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 63.87 10.83 5.51 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.716 0.636 . . . . 63.21 112.716 171.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.97 39.2 0.46 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.479 -0.391 . . . . 62.35 112.253 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.88 86.14 2.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.552 0.692 . . . . 70.0 112.472 -175.621 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -107.22 -6.37 17.33 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.74 -0.664 . . . . 71.44 110.488 172.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -130.01 142.01 50.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.254 -0.885 . . . . 65.0 110.926 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.733 ' HD3' ' HB3' ' A' ' 23' ' ' HIS . 11.9 pttp -163.57 129.36 3.11 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.218 0.532 . . . . 74.14 112.244 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 4.8 m-20 -86.16 175.32 8.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.903 -0.589 . . . . 72.3 111.163 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -105.27 107.52 18.54 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.985 0.421 . . . . 55.41 111.642 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.28 140.53 40.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.179 0.514 . . . . 72.22 111.679 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 65.7 m-85 -121.9 96.67 5.15 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.079 -0.509 . . . . 71.41 110.678 175.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 52' ' ' GLU . 56.2 tptt -80.53 90.72 5.71 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.679 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -113.51 123.87 51.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.885 0.374 . . . . 71.44 111.735 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.4 m -81.64 114.07 20.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.887 0.375 . . . . 73.51 111.23 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.64 142.37 16.05 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.178 -0.534 . . . . 72.33 113.167 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -105.96 106.46 16.98 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.066 0.46 . . . . 75.42 111.238 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 33.3 t70 -88.81 156.46 18.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.052 -0.522 . . . . 71.54 112.14 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 70.85 -66.6 0.28 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.566 -0.743 . . . . 71.32 111.409 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -154.1 -44.44 0.09 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.767 0.318 . . . . 54.01 111.163 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.94 23.02 0.28 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 120.704 -0.76 . . . . 54.24 114.218 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.673 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 10.9 mmpt? -91.19 119.36 31.22 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 117.306 0.553 . . . . 74.02 110.351 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -96.78 132.68 42.25 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.118 0.785 . . . . 64.13 113.118 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -128.74 153.06 47.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.569 -0.741 . . . . 73.42 109.752 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -87.67 112.62 22.54 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 120.874 0.369 . . . . 73.05 111.495 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.23 109.15 19.51 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.47 -0.332 . . . . 71.35 110.932 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -120.74 133.56 55.33 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.081 0.467 . . . . 70.11 111.136 178.035 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 49.9 p90 -138.52 156.05 47.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.907 0.385 . . . . 74.51 111.628 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.8 p -100.03 117.33 34.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.995 0.426 . . . . 74.22 111.001 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.26 150.93 22.8 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.283 0.563 . . . . 64.3 112.127 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -66.81 -29.58 69.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.516 -0.765 . . . . 73.31 112.247 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -143.5 165.38 27.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.36 0.6 . . . . 73.12 112.391 -172.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 147.36 48.21 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.714 -0.676 . . . . 65.5 109.942 169.563 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.59 -178.66 3.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.875 0.324 . . . . 61.42 111.875 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 60' ' ' ARG . 5.7 mpt_? -70.13 105.84 3.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.284 0.564 . . . . 64.41 111.448 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.22 -23.51 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.789 -0.641 . . . . 71.31 112.658 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.85 13.65 27.95 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.229 0.455 . . . . 72.33 112.229 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.22 171.25 7.48 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.137 0.494 . . . . 72.14 112.14 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 24.9 m-85 -111.57 133.64 53.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.021 176.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.67 125.16 45.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.253 0.464 . . . . 74.32 112.253 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 14.2 mtp180 -89.54 92.69 9.2 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.805 -0.634 . . . . 75.1 109.996 170.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 11' ' ' TYR . 31.1 m -90.85 145.65 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.776 0.798 . . . . 70.2 112.804 -175.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -88.59 116.89 27.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.669 -1.15 . . . . 65.31 111.747 -174.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.695 ' HB2' ' HE1' ' A' ' 11' ' ' TYR . 20.2 t-160 -74.34 129.44 37.8 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.397 0.618 . . . . 74.42 112.565 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 67.7 m -147.42 109.03 4.35 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.16 -0.682 . . . . 60.02 109.16 168.425 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 16.4 m-20 -56.11 -25.71 46.98 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.558 0.948 . . . . 63.1 113.558 -170.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 19.15 19.26 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.748 -0.595 . . . . 74.33 112.578 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.1 OUTLIER -143.67 -15.09 0.64 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.087 0.403 . . . . 64.15 112.087 179.127 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.78 -83.63 0.69 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.2 -0.524 . . . . 64.02 112.58 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 95.6 t -136.54 113.65 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.742 0.306 . . . . 70.25 111.341 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.6 t -93.73 -14.38 26.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.638 0.256 . . . . 65.31 111.507 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.29 155.44 17.93 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.627 -0.26 . . . . 60.4 111.026 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -151.27 142.52 23.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.145 0.498 . . . . 74.43 111.997 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 33.3 mt-10 -110.78 143.7 40.9 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.076 -0.511 . . . . 55.12 110.701 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.22 105.0 15.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.847 0.356 . . . . 71.43 110.953 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 34.4 m -120.36 -179.81 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.273 0.472 . . . . 63.22 112.273 -175.819 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 168.98 9.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.063 0.459 . . . . 75.03 111.505 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -75.4 -19.8 59.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.636 0.606 . . . . 62.25 112.636 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.16 -10.39 59.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.991 -0.443 . . . . 64.45 112.086 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' OE2' ' HB ' ' A' ' 81' ' ' VAL . 45.0 mt-10 -87.76 -1.87 58.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.823 0.305 . . . . 73.22 111.823 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 83' ' ' LYS . 7.1 mp -92.98 131.32 33.58 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.736 -0.211 . . . . 73.53 110.69 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.13 145.37 65.13 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.598 2.199 . . . . 64.45 112.795 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.0 71.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.146 0.424 . . . . 73.2 112.146 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.549 ' HA ' ' HB2' ' A' ' 92' ' ' GLU . 46.6 mtpt -57.38 -21.78 38.34 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.5 0.556 . . . . 72.12 112.5 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.46 -51.92 64.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.019 0.438 . . . . 74.14 110.655 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.32 -33.68 73.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.225 0.536 . . . . 64.11 110.566 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 89' ' ' LYS . 41.5 mm-40 -63.59 -15.31 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.528 0.566 . . . . 71.31 112.528 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -112.11 -10.02 13.92 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 122.228 -0.295 . . . . 61.51 111.782 172.053 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.2 tp -137.92 105.06 5.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.01 0.433 . . . . 63.11 111.68 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.6 44.49 6.11 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.35 -0.453 . . . . 71.12 112.53 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 t -76.25 130.64 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.079 0.466 . . . . 40.44 112.019 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.692 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 5.1 mmpt? -149.37 110.15 4.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.009 -0.542 . . . . 63.34 111.161 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -168.23 84.84 0.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.248 0.547 . . . . 75.21 110.756 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -131.56 -47.01 0.97 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.897 -0.592 . . . . 73.45 109.733 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 61.74 -161.83 0.29 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.519 -0.764 . . . . 64.44 111.941 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -20.05 64.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.778 0.323 . . . . 73.33 111.347 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 70.15 -8.07 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.501 0.72 . . . . 74.25 112.797 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -98.72 131.43 44.88 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.11 -0.369 . . . . 72.02 110.881 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -169.0 156.18 7.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.468 -0.333 . . . . 74.5 111.604 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 119.3 -0.381 . . . . 73.21 110.763 170.929 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.926 0.393 . . . . 64.33 110.584 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -89.64 106.02 18.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.922 0.391 . . . . 71.33 111.368 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 98.8 mt -79.44 -13.39 59.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.9 0.333 . . . . 72.31 111.9 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.6 m-20 -49.19 -47.96 45.59 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.695 0.628 . . . . 45.54 112.695 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.449 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -105.49 12.87 30.91 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.243 0.46 . . . . 74.24 112.243 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.418 ' HB2' ' HA ' ' A' ' 3' ' ' LEU . 23.7 mmt -95.84 157.19 16.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.734 0.302 . . . . 72.13 111.234 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.03 -105.3 0.19 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.989 -0.624 . . . . 63.04 113.104 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.4 125.88 14.92 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.839 0.352 . . . . 73.41 111.125 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' H ' ' HB3' ' A' ' 69' ' ' HIS . 10.8 m-20 -119.28 156.75 29.39 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.011 0.434 . . . . 65.1 112.015 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 6.7 pt-20 -106.5 102.14 11.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.183 0.516 . . . . 74.03 110.252 172.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' HB3' ' HA3' ' A' ' 41' ' ' GLY . 51.9 m-85 -93.46 123.1 36.54 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.976 -0.453 . . . . 73.54 111.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.63 103.63 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.067 -0.515 . . . . 71.52 110.437 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -102.37 165.71 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.244 0.545 . . . . 44.42 112.363 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -125.55 140.29 52.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.756 -0.656 . . . . 64.03 109.705 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.431 HD11 HD11 ' A' ' 65' ' ' LEU . 46.8 mm -67.16 100.45 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.106 0.479 . . . . 65.43 112.093 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.5 p -84.72 -67.7 0.78 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.112 0.482 . . . . 60.3 110.892 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 m -114.28 131.13 67.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.186 -0.461 . . . . 74.34 111.373 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.03 159.74 36.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.869 0.692 . . . . 72.34 112.869 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.96 9.02 70.33 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 115.778 1.071 . . . . 74.33 115.778 171.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.15 100.32 2.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.372 1.086 . . . . 50.04 111.191 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.0 124.07 30.06 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.154 -0.475 . . . . 65.22 111.469 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' VAL . 28.4 m -78.11 81.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 121.973 0.892 . . . . 75.14 111.267 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -73.91 51.45 0.39 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.809 -0.632 . . . . 52.51 111.457 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -59.42 -29.43 67.75 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 111.889 0.329 . . . . 53.33 111.889 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 5.3 ttpm? 67.54 92.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.336 0.589 . . . . 74.25 111.812 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.73 81.91 8.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.976 -0.556 . . . . 44.22 110.685 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -56.55 98.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.478 0.656 . . . . 74.5 111.017 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 175.25 -27.06 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 74.42 109.895 -173.377 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 147.28 -33.97 1.31 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.497 -0.774 . . . . 62.55 112.096 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -81.16 95.28 6.85 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.678 0.752 . . . . 64.44 112.232 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.18 83.37 3.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 53.2 110.175 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -102.86 147.49 26.82 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.573 -0.74 . . . . 70.12 112.25 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.76 106.08 9.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.278 -0.419 . . . . 72.12 110.914 173.863 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB2' HG22 ' A' ' 22' ' ' VAL . 47.3 m-20 -98.75 132.07 44.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 75.41 110.747 174.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -88.2 108.28 19.21 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.354 -0.384 . . . . 73.52 110.787 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.8 125.14 41.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.954 0.407 . . . . 55.15 111.83 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 30.5 m-85 -119.62 117.01 27.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.138 -0.483 . . . . 70.33 110.693 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -113.01 118.89 36.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.065 0.459 . . . . 75.12 110.977 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 171.34 14.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.879 -0.6 . . . . 73.53 111.76 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.8 m -107.53 129.84 54.93 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.286 0.476 . . . . 72.13 112.286 -175.049 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 11' ' ' TYR . . . -116.5 140.74 16.26 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.155 -0.475 . . . . 75.35 112.809 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.59 140.46 51.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.835 0.35 . . . . 74.32 111.609 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.01 165.33 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.614 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 52.6 -86.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.792 0.837 . . . . 62.32 112.899 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.538 ' HB2' ' HG3' ' A' ' 47' ' ' LYS . 23.1 m-20 -85.16 -5.12 59.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.945 0.402 . . . . 61.44 111.75 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 96' ' ' VAL . . . 81.13 19.01 68.0 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.182 -0.532 . . . . 53.11 112.717 -176.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG3' ' HB2' ' A' ' 45' ' ' ASP . 66.9 mttm -71.9 146.05 48.11 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.646 0.26 . . . . 75.51 111.056 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.01 106.41 18.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.256 0.55 . . . . 74.44 112.196 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -99.84 136.45 39.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.943 -0.571 . . . . 44.32 110.179 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.58 37.93 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.994 0.426 . . . . 75.15 111.086 175.758 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -134.9 150.44 50.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.995 0.426 . . . . 71.12 111.095 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -138.28 134.62 34.58 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.811 0.339 . . . . 62.42 111.159 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -138.86 142.88 38.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.995 0.426 . . . . 75.44 111.57 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 p -99.55 109.42 21.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.067 0.461 . . . . 74.4 110.913 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -97.61 150.34 21.25 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.332 0.587 . . . . 33.41 112.076 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -74.36 -18.83 60.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.56 -0.745 . . . . 72.52 111.79 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -129.47 160.52 32.9 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.933 0.397 . . . . 75.13 111.698 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.526 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 8.4 m120 -83.52 101.67 11.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.948 0.404 . . . . 73.22 110.839 171.109 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD22 HD21 ' A' ' 65' ' ' LEU . 1.8 pp -71.07 -175.02 1.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.168 -0.469 . . . . 64.13 111.954 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -101.38 144.05 30.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.92 0.711 . . . . 63.22 112.92 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 23.1 pttm -90.77 179.39 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.359 -0.608 . . . . 75.25 109.359 165.648 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 68.9 mm-40 65.96 18.29 11.02 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.45 0.643 . . . . 75.03 110.45 -170.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.22 172.69 12.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.808 -0.633 . . . . 75.51 111.612 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -125.72 151.75 46.24 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 64.43 110.119 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 59' ' ' LEU . 4.2 mp -127.86 144.09 51.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.871 -0.518 . . . . 63.21 112.239 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -86.27 97.55 10.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.932 -0.576 . . . . 71.54 109.785 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.08 130.87 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.521 0.677 . . . . 61.44 111.243 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 31.6 t80 -81.3 106.7 13.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.894 -1.048 . . . . 74.41 111.786 -173.83 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.469 ' HB3' ' H ' ' A' ' 9' ' ' ASP . 11.5 t-160 -74.23 105.07 5.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.417 -0.356 . . . . 75.53 111.241 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.8 p -132.79 100.78 5.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.234 -0.439 . . . . 63.1 110.799 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.31 0.31 1.49 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.902 0.704 . . . . 74.11 112.902 -174.404 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -78.94 -29.39 44.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.867 0.365 . . . . 72.35 110.574 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -139.29 10.4 2.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.788 0.435 . . . . 73.02 111.762 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.24 -66.02 1.93 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 120.913 -0.661 . . . . 70.03 112.074 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.77 128.46 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 123.006 0.522 . . . . 74.03 110.868 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 37.7 t -99.38 -33.88 10.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.023 0.379 . . . . 74.3 112.023 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.28 175.4 12.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.39 0.515 . . . . 73.34 112.39 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -155.16 140.39 17.58 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.735 -0.666 . . . . 72.42 111.446 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -119.59 134.09 55.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.589 0.233 . . . . 74.23 111.322 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -90.21 109.64 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.818 0.342 . . . . 60.51 111.187 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.0 m -109.56 172.59 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 120.895 0.379 . . . . 63.13 111.104 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -118.51 145.66 45.13 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.421 0.629 . . . . 75.24 112.232 -177.107 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -4.9 2.07 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.444 0.905 . . . . 64.4 113.444 -177.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.01 -22.61 58.4 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.026 0.38 . . . . 73.3 112.026 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.7 pt-20 -98.57 1.16 46.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.989 0.423 . . . . 74.3 111.891 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.5 mt -89.39 122.56 68.34 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.495 -0.321 . . . . 75.12 111.241 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.24 137.06 54.45 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.772 2.314 . . . . 74.2 112.767 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.13 64.66 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.007 0.373 . . . . 73.31 112.007 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.453 ' HB3' ' HE3' ' A' ' 97' ' ' LYS . 24.7 mmtm -60.33 -37.45 80.67 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.393 0.516 . . . . 72.21 112.393 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.09 -37.58 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.646 0.736 . . . . 74.24 110.525 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.33 -20.38 57.31 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.617 -0.72 . . . . 75.32 110.888 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.8 -52.09 58.7 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.818 -0.628 . . . . 60.34 111.88 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 1.2 mptp? -86.06 1.53 49.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.804 0.335 . . . . 72.14 110.871 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 tt 64.45 79.3 0.26 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.586 0.754 . . . . 73.45 111.133 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.67 -39.7 2.39 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 116.213 -0.449 . . . . 71.24 114.07 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.517 HG22 ' HA3' ' A' ' 46' ' ' GLY . 3.4 t -80.27 117.88 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 O-C-N 122.578 -0.366 . . . . 42.23 111.733 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.453 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 63.8 tttm 173.19 149.85 0.07 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.756 -0.656 . . . . 61.53 111.706 176.531 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.3 mt -85.02 120.84 26.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.031 -0.531 . . . . 70.1 110.226 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.453 ' OE2' ' HA ' ' A' ' 101' ' ' HIS . 36.1 tt0 -97.74 -34.46 10.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.124 -0.36 . . . . 70.34 111.529 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m170 61.25 18.72 9.44 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.009 0.433 . . . . 63.11 110.739 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.453 ' HA ' ' OE2' ' A' ' 99' ' ' GLU . 0.3 OUTLIER 54.87 83.99 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.568 -0.742 . . . . 71.0 110.373 -171.759 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -68.06 113.53 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 73.53 112.846 -169.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -120.01 104.21 9.96 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.094 -0.503 . . . . 62.44 111.154 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -93.69 -37.49 11.8 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.532 0.682 . . . . 74.41 109.599 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.285 -0.87 . . . . 70.43 110.761 173.842 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.935 0.398 . . . . 64.4 110.965 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.96 119.98 11.75 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.959 0.409 . . . . 70.43 111.43 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -100.63 16.13 25.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.067 0.46 . . . . 60.3 111.469 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -70.36 -17.34 63.05 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.849 0.685 . . . . 53.42 112.849 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 5' ' ' ARG . 46.6 mtt180 -92.45 -10.53 37.58 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 122.089 -0.382 . . . . 75.24 111.366 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 96.6 mmm -59.73 129.25 40.98 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.454 -0.339 . . . . 71.54 111.423 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.29 -7.58 60.13 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.389 -0.434 . . . . 72.42 113.494 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -109.94 116.62 31.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.94 0.4 . . . . 61.32 111.272 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.67 174.98 8.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.094 -0.503 . . . . 54.0 110.421 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.0 136.55 45.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.549 0.69 . . . . 73.41 111.707 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -100.41 124.44 45.92 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.99 -0.55 . . . . 71.53 110.658 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.88 107.61 8.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 72.42 111.199 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.485 HG12 ' HA2' ' A' ' 41' ' ' GLY . 16.1 m -113.35 140.5 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.12 -0.491 . . . . 71.13 111.112 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.5 pt20 -106.32 138.45 42.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.971 0.415 . . . . 62.42 111.239 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.39 102.95 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 112.769 0.655 . . . . 62.45 112.769 -174.417 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -94.09 -67.93 0.83 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.835 -0.62 . . . . 73.14 112.26 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.19 140.5 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 112.347 0.499 . . . . 74.53 112.347 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -131.7 155.02 48.38 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.961 0.41 . . . . 74.54 111.721 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.2 8.28 65.05 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 114.905 0.722 . . . . 64.11 114.905 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -75.12 89.77 2.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 117.554 0.677 . . . . 73.32 110.343 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -98.91 123.69 43.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.629 0.603 . . . . 54.14 112.629 -172.106 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -89.13 84.0 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.695 0.759 . . . . 65.45 112.205 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 56.0 t60 -94.95 -0.07 54.24 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.07 -0.514 . . . . 72.44 111.802 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.83 -13.58 62.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.272 -0.422 . . . . 75.31 112.07 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.33 55.12 0.65 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.148 0.499 . . . . 72.11 111.282 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . . . -126.66 -72.56 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.17 -0.468 . . . . 62.33 112.037 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 26.8 t70 62.87 168.76 0.13 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.794 0.438 . . . . 71.51 111.162 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.438 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 3.6 m-20 70.81 -34.1 0.29 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.797 0.439 . . . . 71.34 112.122 -177.13 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 27' ' ' ASP . . . 120.03 0.15 13.17 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.441 -0.663 . . . . 72.2 111.441 -170.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.34 149.28 34.18 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.673 0.389 . . . . 75.33 111.241 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -93.05 45.23 1.17 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.806 0.669 . . . . 65.33 112.806 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 23' ' ' HIS . 20.2 m-85 -72.52 97.72 2.16 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.929 0.395 . . . . 74.2 110.001 169.821 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG3' ' HB2' ' A' ' 23' ' ' HIS . 48.4 tttm -149.68 69.93 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.304 0.573 . . . . 70.22 110.457 -174.302 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.49 153.42 21.87 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.702 -0.681 . . . . 63.34 112.04 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -76.89 124.79 28.25 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.09 -0.505 . . . . 73.1 111.487 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -109.24 119.95 41.05 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.775 -0.648 . . . . 71.42 111.279 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.1 119.75 36.21 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.32 -0.4 . . . . 72.24 111.574 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -115.18 118.44 33.34 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.39 . . . . 60.12 110.455 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -147.8 154.33 40.34 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.366 0.603 . . . . 74.24 112.061 -179.249 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.2 m -83.61 113.02 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 64.05 111.346 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -89.82 141.94 16.32 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.139 -0.553 . . . . 50.43 112.956 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.48 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 97.4 m-85 -106.23 127.73 53.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.134 0.492 . . . . 61.43 111.674 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.95 161.87 29.15 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.705 -0.68 . . . . 63.33 111.904 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HE2' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -65.02 -9.57 22.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.667 0.988 . . . . 55.05 113.667 -177.51 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.492 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 30.2 t70 -96.79 -10.3 26.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.19 0.519 . . . . 63.24 110.841 172.72 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.53 49.4 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 116.243 -0.435 . . . . 60.44 113.092 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 62.6 mttp -119.8 153.86 35.11 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.643 -0.328 . . . . 73.45 110.845 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.38 154.79 17.23 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.471 0.545 . . . . 74.51 112.471 -175.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -170.06 143.56 2.52 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.966 -0.561 . . . . 75.53 111.031 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -83.8 115.9 22.46 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.749 0.309 . . . . 53.44 111.695 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.44 153.69 25.76 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.254 0.55 . . . . 72.13 111.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -141.61 144.34 34.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.015 -0.539 . . . . 73.14 110.446 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HE2' HD21 ' A' ' 39' ' ' LEU . 41.8 p90 -165.17 165.03 20.07 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.27 0.557 . . . . 74.41 112.078 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.6 p -104.11 129.99 51.81 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.888 -0.597 . . . . 65.21 111.166 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.64 142.77 31.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.277 0.56 . . . . 70.41 112.163 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.51 -8.18 59.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.451 0.643 . . . . 71.12 110.884 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -141.44 163.76 32.06 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.898 -0.592 . . . . 60.24 110.605 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -79.21 105.67 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.883 -0.784 . . . . 62.35 108.883 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 65' ' ' LEU . 46.1 mt -65.47 152.96 42.71 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.064 0.765 . . . . 52.12 113.064 -169.536 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.66 111.44 3.18 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.976 -0.556 . . . . 64.31 111.624 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -56.89 139.26 52.13 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.051 0.453 . . . . 74.21 112.172 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.75 18.02 11.24 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.753 -0.658 . . . . 75.42 111.66 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.73 162.68 12.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.037 -0.414 . . . . 75.01 110.64 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 55.1 m-85 -110.59 130.1 55.65 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.451 0.643 . . . . 73.03 112.176 -176.342 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.691 HD11 HD13 ' A' ' 59' ' ' LEU . 95.7 mt -100.19 127.59 46.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 75.42 110.967 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -81.96 87.34 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.356 -0.609 . . . . 71.11 109.356 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.29 128.71 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.362 0.601 . . . . 64.41 112.016 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.19 95.87 0.79 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.341 -0.845 . . . . 73.45 110.392 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 53.4 t-80 -94.14 106.43 18.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.627 0.603 . . . . 63.01 112.627 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' LYS . 46.9 m -97.05 92.04 5.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.275 -0.42 . . . . 73.02 111.392 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 54.46 -80.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.244 0.617 . . . . 64.45 112.592 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.841 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 18.1 ptpt -66.93 -67.5 0.45 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.114 0.483 . . . . 64.02 110.77 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.841 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 53.2 mtmt -155.44 -64.29 0.12 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.558 0.743 . . . . 71.54 109.382 -175.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.51 -80.94 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.09 -0.505 . . . . 75.01 113.08 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 75' ' ' VAL . 16.1 t 59.48 43.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.73 0.776 . . . . 55.13 111.572 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.6 t -53.37 -43.22 67.62 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.335 0.588 . . . . 70.24 110.933 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.28 42.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.801 -0.636 . . . . 72.13 111.102 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -140.35 142.73 35.54 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.272 -0.422 . . . . 73.04 111.3 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 35.3 mt-10 -117.77 137.33 52.8 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.415 -0.357 . . . . 71.15 110.85 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.59 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.0 tt0 -97.11 94.96 7.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.03 0.443 . . . . 71.35 111.217 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.33 -179.82 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.172 0.511 . . . . 64.13 111.904 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -107.88 166.66 10.54 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.376 0.608 . . . . 72.41 112.21 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -78.91 -27.88 43.84 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.806 -0.633 . . . . 75.25 111.378 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -39.07 81.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.202 0.445 . . . . 63.32 112.202 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.11 3.56 26.53 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.933 0.716 . . . . 65.01 112.933 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.95 142.9 98.25 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 120.579 0.228 . . . . 74.54 111.455 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.641 ' O ' HG12 ' A' ' 90' ' ' VAL . 13.9 Cg_endo -55.04 135.67 69.76 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.992 2.461 . . . . 71.21 113.27 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 91' ' ' LYS . . . -49.37 -36.52 21.88 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.061 0.763 . . . . 61.53 113.061 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 69.7 mmtt -69.15 -22.1 63.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.139 0.792 . . . . 75.12 113.139 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 87' ' ' PRO . 5.2 p -73.66 -35.51 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.939 -0.476 . . . . 64.21 110.948 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 19.3 ptpt -77.31 -28.49 53.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 64.1 110.934 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.9 -11.57 60.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.942 0.401 . . . . 74.34 111.095 175.368 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -103.58 -67.87 0.87 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.851 0.358 . . . . 72.14 111.304 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.53 127.36 45.61 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.76 0.314 . . . . 74.32 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.82 8.08 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.77 -0.729 . . . . 65.53 112.157 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.6 m -63.23 98.74 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 121.941 0.877 . . . . 63.53 112.57 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.629 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 9.9 mmpt? -106.49 125.89 51.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.251 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.98 83.49 5.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.156 0.503 . . . . 74.32 111.27 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.38 26.67 0.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.087 -0.506 . . . . 74.34 111.521 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 69.15 -61.47 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.094 0.558 . . . . 73.43 110.521 -172.579 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.5 t60 57.14 25.4 10.86 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.254 0.464 . . . . 73.24 112.254 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -92.01 118.18 30.53 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.865 0.32 . . . . 74.15 111.865 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 t60 61.65 100.26 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.035 0.445 . . . . 71.43 111.972 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -92.57 -27.02 17.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.164 0.431 . . . . 73.55 112.164 -173.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.774 -0.632 . . . . 71.31 111.648 175.79 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.998 -0.371 . . . . 73.4 109.998 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 53.9 -171.78 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.729 1.011 . . . . 50.54 113.729 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -82.8 3.61 28.76 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.907 0.706 . . . . 74.11 112.907 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -68.67 -6.21 24.75 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.492 0.552 . . . . 71.43 112.492 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -127.21 -1.08 6.4 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.787 0.291 . . . . 65.52 111.787 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -123.37 138.51 54.59 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.872 0.367 . . . . 73.44 111.474 -169.818 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' N ' ' SD ' ' A' ' 6' ' ' MET . . . 162.21 -146.74 12.36 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 120.701 -0.761 . . . . 73.33 113.45 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -117.66 -85.55 0.64 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.7 0.4 . . . . 71.34 110.589 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -140.2 144.73 36.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.551 0.34 . . . . 74.11 110.099 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 136.86 52.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.253 0.549 . . . . 73.23 111.828 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 67' ' ' VAL . 52.4 m-85 -110.6 126.72 54.75 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.115 -0.493 . . . . 64.3 110.888 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.73 100.06 11.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.937 0.399 . . . . 64.24 110.627 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.52 133.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.869 0.366 . . . . 72.43 111.535 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 30.3 pt20 -88.79 147.62 24.34 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.077 0.465 . . . . 71.41 111.693 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.59 98.75 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 120.897 0.379 . . . . 75.02 111.466 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.02 -57.15 8.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.133 0.492 . . . . 71.52 110.917 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.05 126.11 74.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.047 -0.524 . . . . 74.14 111.427 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.01 176.35 5.2 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.885 0.374 . . . . 60.13 110.471 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.64 8.33 67.19 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 121.126 -0.559 . . . . 64.52 114.35 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HB3' ' HB3' ' A' ' 36' ' ' GLU . 55.6 mmtt -74.1 137.36 43.24 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.574 0.687 . . . . 63.42 110.086 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 36.5 mt-10 -133.94 122.77 23.58 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.691 0.256 . . . . 72.31 111.691 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 36' ' ' GLU . 3.8 m -73.55 78.22 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.864 0.84 . . . . 71.22 111.158 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.43 91.83 3.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.479 -0.782 . . . . 73.4 112.388 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -59.93 -64.78 0.83 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.245 -0.434 . . . . 72.21 110.871 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.44 0.12 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.149 0.499 . . . . 73.31 111.167 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' O ' ' HB3' ' A' ' 30' ' ' GLN . . . -77.33 32.97 0.15 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.268 0.84 . . . . 62.03 113.268 -171.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -113.62 -25.19 8.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.276 0.56 . . . . 65.12 110.325 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -111.92 19.53 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.993 -0.549 . . . . 70.2 111.337 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.64 60.05 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 CA-C-N 116.201 -0.454 . . . . 53.51 112.057 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.533 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 11.4 pt20 -84.37 87.02 7.19 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.123 0.786 . . . . 74.44 113.123 -171.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -87.44 -14.3 40.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.174 0.987 . . . . 63.22 109.429 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -129.24 135.9 49.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.399 -1.273 . . . . 74.42 109.663 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -152.14 101.86 2.74 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 122.327 -0.233 . . . . 63.4 110.929 -174.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -112.38 156.76 21.95 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.728 0.299 . . . . 73.41 111.301 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 76.6 m-85 -102.7 164.14 11.81 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.402 0.89 . . . . 73.53 113.402 -171.455 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.652 ' HB2' HG13 ' A' ' 22' ' ' VAL . 41.4 tt0 -133.72 142.35 47.93 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.573 -0.739 . . . . 70.34 111.074 -170.349 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -143.06 107.84 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.109 0.48 . . . . 73.33 111.779 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 40.3 ttmt -96.31 101.3 12.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.322 -0.399 . . . . 73.34 110.388 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 38' ' ' LYS . 29.8 mt -123.36 168.46 12.49 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.162 0.506 . . . . 64.1 111.329 -176.629 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -108.0 112.5 25.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.008 0.433 . . . . 73.22 111.207 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 112.82 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.084 -0.579 . . . . 75.23 112.496 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -89.47 116.03 27.35 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.028 0.442 . . . . 64.15 110.64 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.3 t70 -70.02 156.89 38.49 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.115 -0.493 . . . . 75.43 112.021 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -50.05 -42.15 49.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.692 -0.686 . . . . 63.34 112.519 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -73.15 -24.44 60.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.03 0.443 . . . . 74.4 111.469 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.0 31.16 1.47 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 121.423 -0.418 . . . . 71.22 113.211 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 32.0 mmtp -96.26 170.91 8.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.827 0.346 . . . . 75.21 111.249 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 137.36 48.28 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.933 0.396 . . . . 74.51 110.856 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -140.05 137.64 34.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.013 0.435 . . . . 52.2 111.127 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.71 123.17 20.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.308 -0.406 . . . . 71.25 111.383 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 67' ' ' VAL . 22.0 tp -136.77 86.75 2.23 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.229 0.537 . . . . 70.44 112.216 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 38' ' ' LYS . 8.0 mp0 -105.0 111.04 23.68 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.309 -0.405 . . . . 74.5 110.71 177.414 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -131.54 161.47 32.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.337 0.589 . . . . 74.02 112.272 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -108.4 169.58 8.55 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.079 -0.51 . . . . 72.23 111.447 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.37 160.42 41.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.221 0.534 . . . . 22.24 111.529 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -95.98 -1.53 48.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.066 -0.516 . . . . 74.42 111.05 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -161.04 145.43 13.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.631 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.64 125.07 30.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.53 0.205 . . . . 55.14 110.535 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -103.35 -165.92 1.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.922 0.392 . . . . 72.44 111.53 178.517 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -85.14 128.1 34.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.83 0.678 . . . . 73.02 112.83 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.513 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.15 153.22 12.13 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.609 -0.723 . . . . 65.4 112.484 177.586 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 67.66 -14.27 0.22 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.259 0.837 . . . . 64.33 113.259 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.92 146.68 51.03 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.966 -0.458 . . . . 73.45 111.17 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 65.9 m-85 -91.86 114.03 26.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.118 0.485 . . . . 75.14 111.798 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.7 mt -86.29 122.11 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 74.1 111.745 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.31 86.22 6.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.179 -0.674 . . . . 61.42 109.179 171.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 51' ' ' LEU . 33.1 m -86.49 128.21 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 122.149 0.976 . . . . 74.34 113.065 -172.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.46 108.43 6.32 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.52 -1.218 . . . . 72.41 110.539 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 12.4 t-80 -77.45 110.17 11.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.324 -0.398 . . . . 75.44 111.994 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.3 p -96.77 164.64 12.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.984 0.421 . . . . 71.44 110.857 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.04 -29.78 31.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.027 0.441 . . . . 53.05 111.502 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -74.13 -66.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.729 0.64 . . . . 75.12 112.729 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 3.7 mmmp? -117.69 26.87 9.4 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.522 0.564 . . . . 74.23 112.522 -174.343 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 76.97 -60.17 3.47 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 121.03 -0.605 . . . . 60.43 113.934 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.16 127.97 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 122.362 -0.493 . . . . 73.1 111.464 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -107.94 -22.28 12.49 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.041 0.448 . . . . 33.11 111.471 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.41 155.8 37.05 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.477 -0.329 . . . . 71.54 111.169 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.534 ' HB3' HG12 ' A' ' 67' ' ' VAL . 25.6 p-90 -156.08 134.44 11.53 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.503 0.557 . . . . 75.05 112.503 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.84 148.43 42.12 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.859 -0.609 . . . . 72.33 110.359 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.23 126.52 36.33 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.975 0.417 . . . . 72.5 111.815 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 64' ' ' PHE . 18.9 m -127.8 154.23 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 122.796 0.438 . . . . 71.14 110.571 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 3.1 mppt? -107.47 151.29 25.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.966 -0.459 . . . . 74.3 111.384 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.5 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.127 0.489 . . . . 75.22 111.915 -177.186 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.38 -32.4 73.2 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.152 0.501 . . . . 41.13 111.314 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.47 -10.58 58.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.798 -0.637 . . . . 74.45 112.083 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.15 132.68 73.15 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 122.315 -0.241 . . . . 74.32 111.046 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HG2' HG22 ' A' ' 90' ' ' VAL . 63.8 Cg_endo -71.72 159.56 50.52 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.575 2.183 . . . . 64.12 113.437 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.24 79.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.074 -0.512 . . . . 73.23 112.295 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.38 -41.46 69.22 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.124 0.416 . . . . 70.35 112.124 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 87' ' ' PRO . 33.6 m -93.58 -38.31 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 111.905 0.335 . . . . 71.32 111.905 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -62.03 -56.18 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.121 0.486 . . . . 73.55 111.876 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.78 6.1 8.15 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.962 0.41 . . . . 72.24 112.039 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 93' ' ' LYS . 1.6 tmtp? -84.16 -39.28 19.61 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.313 0.578 . . . . 74.02 109.888 170.416 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tt -112.71 103.29 11.32 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.888 -0.596 . . . . 71.33 110.445 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.6 54.98 1.37 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 120.865 -0.683 . . . . 70.04 113.416 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.6 m -64.88 106.51 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.111 0.481 . . . . 53.31 111.274 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' HD12 ' A' ' 98' ' ' LEU . 20.9 pttp -96.37 91.11 5.68 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.654 0.74 . . . . 74.44 112.379 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 97' ' ' LYS . 6.5 mp -127.98 105.24 8.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.143 -0.48 . . . . 75.33 110.817 176.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.94 -53.66 4.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.3 0.572 . . . . 73.1 110.524 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -145.67 167.25 23.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.77 -0.65 . . . . 72.12 110.356 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -84.49 -51.29 7.02 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.276 0.56 . . . . 62.14 110.354 175.198 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -156.27 144.31 19.66 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.652 -0.704 . . . . 64.41 110.332 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -63.72 160.55 16.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 71.4 111.606 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -58.41 151.93 18.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.312 -0.404 . . . . 70.24 111.845 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.594 -0.717 . . . . 72.33 111.501 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.181 0.515 . . . . 75.25 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.01 173.63 15.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.159 0.504 . . . . 71.32 111.673 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pp -114.19 18.74 16.87 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.83 -0.623 . . . . 65.54 110.627 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -92.31 -75.33 0.49 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.919 -0.582 . . . . 73.05 111.639 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -113.09 11.9 19.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.898 0.38 . . . . 64.11 111.653 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.42 156.7 12.47 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.631 0.604 . . . . 74.32 112.631 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.74 49.95 0.02 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.301 -0.476 . . . . 34.41 112.86 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.545 ' HD2' ' HE2' ' A' ' 68' ' ' TYR . 73.4 mmtt 50.47 81.71 0.06 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.11 0.481 . . . . 71.41 111.902 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.6 m-20 -69.4 98.96 1.15 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.111 -0.495 . . . . 64.23 112.313 -176.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.58 107.24 18.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.511 0.672 . . . . 72.54 110.226 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 18.6 m-30 -92.38 124.12 36.2 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.07 -0.514 . . . . 70.51 111.17 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CE1' ' HG2' ' A' ' 66' ' ' ARG . 76.8 m-85 -78.4 99.36 6.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.152 0.501 . . . . 64.34 110.612 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' PHE . 31.9 m -111.69 176.01 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.908 -0.587 . . . . 71.24 111.45 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 30.1 pt20 -134.89 142.65 46.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.704 0.288 . . . . 74.33 110.893 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.424 HD11 ' CD1' ' A' ' 65' ' ' LEU . 41.7 mm -74.61 99.98 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 112.399 0.518 . . . . 73.33 112.399 -176.166 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -84.11 -65.03 1.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.899 0.38 . . . . 74.45 110.728 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.0 129.05 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.016 0.436 . . . . 72.12 111.43 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -131.1 167.78 18.54 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.096 0.474 . . . . 73.43 111.479 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.38 8.64 66.66 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 115.282 0.873 . . . . 75.05 115.282 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 7.8 mtpm? -69.4 91.11 0.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.906 0.853 . . . . 70.22 110.783 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.53 113.58 7.79 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.327 0.491 . . . . 72.44 112.327 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.16 85.46 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.8 0.809 . . . . 75.32 111.12 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.501 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 77.5 t60 -70.24 84.48 0.55 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.713 -0.676 . . . . 64.24 111.492 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -130.97 -33.09 1.58 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.299 0.481 . . . . 73.53 112.299 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -74.85 25.73 0.09 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.539 0.57 . . . . 55.42 112.539 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.68 18.7 20.73 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.708 -0.62 . . . . 73.11 111.937 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -55.11 -37.43 66.87 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.491 0.922 . . . . 65.12 113.491 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -86.42 -0.29 55.67 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.673 0.62 . . . . 53.02 112.673 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.44 -26.18 7.83 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.061 -0.59 . . . . 72.11 113.276 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.89 96.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.919 0.39 . . . . 52.34 111.411 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -79.52 74.8 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.264 0.554 . . . . 73.04 112.364 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.87 -179.93 4.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.2 -0.454 . . . . 72.15 111.019 171.027 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 47.4 mtmt -132.51 156.08 47.43 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.784 0.661 . . . . 74.23 112.784 -173.518 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.92 156.71 24.51 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.518 -0.764 . . . . 70.14 110.276 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -103.83 113.51 27.09 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.676 0.621 . . . . 71.24 112.676 -174.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.5 tt0 -76.96 138.35 39.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.65 -0.704 . . . . 74.25 112.075 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.475 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 95.4 m-85 -132.39 98.21 4.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.019 -0.537 . . . . 74.34 110.117 173.324 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -101.98 108.91 20.5 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.28 -0.418 . . . . 64.02 111.632 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.98 159.94 43.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.213 0.449 . . . . 62.32 112.213 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -103.89 139.96 38.34 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.794 0.331 . . . . 63.24 111.541 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -120.95 140.76 14.39 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.304 -0.474 . . . . 74.34 113.354 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -116.08 149.1 39.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.706 0.403 . . . . 74.1 110.581 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -167.52 164.49 14.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.719 0.636 . . . . 62.05 112.719 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.1 mttp 68.23 -79.32 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.799 1.037 . . . . 74.22 113.799 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.32 -21.82 1.56 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.529 0.566 . . . . 64.15 112.529 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.95 -0.62 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 C-N-CA 119.866 -1.159 . . . . 52.33 115.048 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.64 145.65 52.27 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.001 0.9 . . . . 71.03 111.373 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 13.3 pt-20 -135.75 136.35 40.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.194 0.521 . . . . 74.23 111.532 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -138.06 146.84 43.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.695 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.98 104.99 12.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.921 0.391 . . . . 71.41 111.109 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.12 83.0 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 74.33 110.616 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -98.91 105.34 17.47 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.509 -0.769 . . . . 72.21 110.984 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -121.49 169.52 10.56 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.217 0.532 . . . . 70.32 112.164 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -117.13 112.63 21.14 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.009 -0.541 . . . . 75.14 111.647 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -96.56 159.09 15.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.064 0.459 . . . . 61.44 111.026 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.3 -3.35 52.25 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.835 0.68 . . . . 74.15 112.835 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -169.22 165.48 10.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.859 0.361 . . . . 73.34 111.714 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.475 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 14.8 m120 -68.7 158.96 33.12 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.192 0.52 . . . . 73.42 112.331 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 pp -139.59 -172.38 3.36 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.898 -0.592 . . . . 63.44 111.024 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 106.53 3.82 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.35 0.595 . . . . 71.22 111.901 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -67.56 150.26 49.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.932 -0.576 . . . . 63.32 112.209 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 75.26 -20.59 0.34 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.784 0.834 . . . . 74.43 112.293 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.5 167.09 17.46 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.918 0.39 . . . . 71.52 111.617 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 49.3 m-85 -96.42 152.58 18.47 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.649 . . . . 74.32 112.351 -176.208 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 80' ' ' GLU . 52.0 mt -130.68 128.68 41.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.637 -0.71 . . . . 71.55 111.672 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 54.6 mtp180 -81.04 86.12 6.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.049 -0.723 . . . . 71.22 109.049 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -92.79 118.8 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.852 0.834 . . . . 63.34 112.25 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 47.9 t80 -71.16 119.23 15.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.408 -1.269 . . . . 74.34 110.804 176.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 41.4 t-80 -96.02 115.77 27.93 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.052 0.454 . . . . 64.53 111.743 -177.797 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.3 p -109.7 141.98 41.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.319 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.16 -15.25 62.98 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.054 0.454 . . . . 74.52 110.949 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -57.72 -69.83 0.16 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.675 -0.693 . . . . 71.55 111.593 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -136.7 35.53 2.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.229 -0.442 . . . . 62.4 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 78.15 -56.42 4.0 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.091 -0.575 . . . . 63.01 113.462 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.05 146.49 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 117.203 0.502 . . . . 64.01 112.282 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 34.6 t -127.24 -38.31 1.98 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.119 -0.491 . . . . 51.44 111.09 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.94 165.36 32.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.445 -0.343 . . . . 72.15 111.263 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 -153.95 134.86 13.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.451 0.537 . . . . 75.23 112.451 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.609 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 28.4 mt-10 -113.79 145.28 41.64 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.004 -0.543 . . . . 75.24 109.986 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.516 ' HA ' HD23 ' A' ' 65' ' ' LEU . 33.8 tt0 -97.02 134.34 40.51 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.793 -0.567 . . . . 62.54 112.272 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 m -147.37 170.67 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 116.048 -0.524 . . . . 75.4 111.309 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 63.3 mttp -111.76 164.62 12.86 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.398 -0.364 . . . . 60.1 110.641 173.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -66.61 -21.13 66.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.232 -0.587 . . . . 73.32 109.688 172.184 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.69 -14.03 61.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.097 -0.501 . . . . 74.24 111.074 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG3' ' HB2' ' A' ' 82' ' ' LYS . 30.5 mt-10 -108.61 8.32 27.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.859 0.362 . . . . 74.11 111.494 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 mt -106.53 127.41 28.23 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.428 -0.351 . . . . 74.42 111.207 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 34.9 Cg_exo -61.01 130.32 32.21 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.797 2.331 . . . . 43.34 113.1 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.85 -34.28 67.62 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.06 0.392 . . . . 71.1 112.06 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -56.96 -44.27 82.42 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.042 0.449 . . . . 74.54 111.087 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.55 -37.76 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.193 0.521 . . . . 72.34 110.634 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.54 -37.24 77.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.948 -0.569 . . . . 73.21 111.114 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -84.36 -25.99 28.76 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.727 0.299 . . . . 75.35 111.635 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -62.32 -37.87 87.28 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.189 0.518 . . . . 62.13 110.995 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.76 92.63 0.89 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.129 -0.487 . . . . 64.23 109.977 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.1 42.84 1.35 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.05 -0.595 . . . . 73.14 113.396 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.0 m -73.73 171.07 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 O-C-N 122.446 -0.443 . . . . 65.33 111.505 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -128.06 138.44 52.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.636 -0.256 . . . . 64.23 111.55 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 100' ' ' HIS . 40.6 tp 67.56 153.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.287 0.565 . . . . 73.21 112.038 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.61 -32.95 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.828 0.347 . . . . 34.53 111.859 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.431 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 48.6 t60 62.12 9.25 3.03 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 112.875 0.694 . . . . 61.2 112.875 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -66.67 125.0 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 122.17 -0.331 . . . . 75.02 111.064 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -140.63 -175.74 4.39 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.171 0.51 . . . . 72.32 112.052 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.58 112.84 13.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.303 -0.408 . . . . 74.23 111.017 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -108.72 167.01 10.38 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.807 0.337 . . . . 73.02 110.981 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.8 p80 . . . . . 0 C--O 1.253 1.262 0 CA-C-N 116.52 -0.309 . . . . 53.45 110.621 173.037 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 112.014 0.376 . . . . 74.24 112.014 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.12 75.57 2.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.371 0.605 . . . . 75.2 111.478 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.05 -5.09 24.26 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.599 0.592 . . . . 75.42 112.599 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -61.53 -65.93 0.62 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.069 0.396 . . . . 71.42 112.069 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -93.75 2.31 56.29 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.299 0.481 . . . . 75.12 112.299 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.4 mtp -94.35 -44.48 7.9 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.916 0.389 . . . . 74.52 110.812 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.61 -149.04 51.52 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 116.085 -0.507 . . . . 70.33 113.649 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 164.76 29.33 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 60.0 110.574 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 13.3 m-20 -95.5 134.96 37.75 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.358 0.503 . . . . 72.41 112.358 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -140.67 132.84 28.05 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.382 -0.599 . . . . 74.0 109.382 165.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -120.23 133.96 55.37 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.966 0.413 . . . . 73.42 111.588 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -85.49 100.69 12.07 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.267 -0.424 . . . . 62.22 110.505 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.586 HG21 HD13 ' A' ' 39' ' ' LEU . 23.1 m -112.0 167.97 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.327 0.584 . . . . 71.53 112.166 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -112.45 158.06 20.32 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.822 -0.626 . . . . 74.13 110.571 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' HA ' ' A' ' 61' ' ' LYS . 46.3 mm -70.86 84.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.294 0.569 . . . . 64.12 110.668 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.9 p -71.9 -58.27 3.6 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.816 -0.629 . . . . 72.02 111.832 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.35 106.25 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-O 121.369 0.604 . . . . 73.34 111.595 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.52 149.07 25.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.102 -0.499 . . . . 72.35 111.194 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.04 9.53 66.85 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.057 -0.592 . . . . 72.32 114.28 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 12.2 tmtt? -77.42 84.92 3.83 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 117.337 0.569 . . . . 71.03 109.912 -177.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 13.0 pt-20 -84.0 150.91 25.32 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.833 0.679 . . . . 74.23 112.833 -172.077 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 m -122.0 97.49 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 121.577 0.703 . . . . 65.31 111.483 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 85.9 t60 -108.32 78.19 1.15 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.676 -0.693 . . . . 62.33 110.973 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -150.24 71.97 1.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.937 0.399 . . . . 52.32 110.789 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -178.64 41.58 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.049 -0.523 . . . . 73.13 110.651 -177.883 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.05 51.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.531 0.567 . . . . 63.25 112.531 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 60.58 -82.35 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.787 0.435 . . . . 54.32 111.818 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.27 -14.04 14.77 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.045 0.45 . . . . 54.45 111.34 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 146.56 24.37 0.1 OUTLIER Glycine 0 CA--C 1.528 0.882 0 C-N-CA 121.137 -0.554 . . . . 34.41 113.739 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -81.88 92.84 6.77 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.595 0.712 . . . . 72.15 110.066 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HA ' ' HE1' ' A' ' 23' ' ' HIS . 93.6 mttt -88.19 38.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.459 -0.791 . . . . 72.13 113.042 -167.506 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -76.19 163.93 26.58 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.911 0.386 . . . . 74.0 111.616 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.654 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 30.3 mtmt -147.36 117.89 7.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.072 0.397 . . . . 63.31 112.072 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -103.37 178.33 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.438 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 54' ' ' THR . 90.5 m-85 -115.4 150.13 36.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.68 0.276 . . . . 72.12 110.994 175.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 38.0 tt0 -119.77 106.86 12.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.052 0.453 . . . . 61.22 111.4 -172.515 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -90.8 89.41 7.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.545 0.688 . . . . 75.33 111.465 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.27 92.72 8.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.183 -0.917 . . . . 74.25 109.757 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.586 HD13 HG21 ' A' ' 13' ' ' VAL . 26.0 mt -114.61 166.69 11.45 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.938 0.718 . . . . 72.42 112.938 -168.511 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -116.44 110.89 19.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.904 -0.589 . . . . 73.31 110.275 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -92.44 137.64 13.8 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.096 -0.573 . . . . 74.13 112.865 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 67.1 m-85 -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 71.04 110.845 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.51 169.49 10.82 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.524 -0.762 . . . . 72.24 112.482 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.731 ' H ' ' HD3' ' A' ' 44' ' ' LYS . 2.4 mppt? -59.17 -25.18 63.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.01 -0.541 . . . . 65.45 111.591 -178.496 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.31 -10.99 36.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.964 0.357 . . . . 60.14 111.964 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.82 6.95 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.321 -0.466 . . . . 44.4 113.28 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 89.0 mttt -96.08 178.33 5.44 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 122.643 -0.327 . . . . 55.33 111.17 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -102.11 122.82 44.87 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.783 0.325 . . . . 63.23 110.896 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 50' ' ' GLU . 5.7 tmtm? -124.67 140.8 52.6 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.915 0.388 . . . . 63.51 110.098 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.594 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -84.4 121.66 27.86 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.831 0.348 . . . . 73.43 111.817 -176.7 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 50' ' ' GLU . 3.7 mm? -123.53 142.88 50.58 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.843 0.354 . . . . 65.34 110.997 176.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -156.51 125.91 6.17 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.779 0.323 . . . . 74.11 111.223 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -147.4 146.58 29.65 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.228 0.537 . . . . 61.24 111.678 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 71.5 p -93.65 117.23 29.81 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.026 -0.534 . . . . 75.21 111.513 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 137.93 35.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.923 0.392 . . . . 70.11 111.541 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 56' ' ' GLN . 7.9 pm0 -69.81 -21.49 63.39 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.215 0.531 . . . . 75.34 111.185 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.27 143.15 51.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.818 -0.628 . . . . 63.44 110.727 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -77.78 109.22 11.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.88 0.372 . . . . 63.41 110.254 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.82 168.62 11.19 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.224 0.535 . . . . 71.33 112.006 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -75.22 132.06 40.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.538 0.685 . . . . 71.41 112.47 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 61' ' ' LYS . 44.2 pttt -78.03 156.36 30.15 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.52 -0.764 . . . . 73.23 112.609 -177.508 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 39.5 tt0 73.52 3.51 4.57 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.891 0.877 . . . . 73.22 111.851 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.94 24.19 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.909 -0.494 . . . . 71.31 111.544 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HE1' ' HB3' ' A' ' 83' ' ' LYS . 79.1 m-85 -85.13 107.95 17.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.342 0.592 . . . . 72.41 110.752 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 78' ' ' TRP . 1.3 tt -90.38 115.79 27.83 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.864 -0.607 . . . . 71.41 111.148 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -81.65 97.13 7.74 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.796 0.332 . . . . 75.21 110.359 173.42 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -90.24 129.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.563 0.697 . . . . 64.31 111.862 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 68.8 t80 -94.04 122.9 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.196 -0.911 . . . . 74.33 111.587 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 52.1 t-80 -114.91 143.12 45.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.386 0.612 . . . . 75.4 111.788 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 73.0 m -138.42 152.35 48.29 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.282 -0.417 . . . . 61.2 111.046 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.71 -70.95 0.1 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.035 0.754 . . . . 71.45 113.035 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -88.12 24.05 1.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.334 0.494 . . . . 73.3 112.334 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.5 OUTLIER -138.94 -16.65 1.1 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.937 0.347 . . . . 64.31 111.937 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 65.23 -82.54 0.07 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.98 -0.628 . . . . 75.52 112.398 -175.768 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.68 144.09 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.975 0.388 . . . . 65.05 110.691 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 43.9 t -133.58 -39.31 0.9 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.175 0.435 . . . . 63.52 112.175 -178.446 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.6 170.14 18.76 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.719 0.295 . . . . 62.21 111.719 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.72 ' HB2' HD21 ' A' ' 65' ' ' LEU . 27.5 p-90 -159.85 142.65 13.75 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.288 0.566 . . . . 72.04 112.47 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -129.42 149.88 51.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.051 -0.522 . . . . 72.21 110.753 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -115.14 117.77 31.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 122.138 -0.351 . . . . 74.51 111.819 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.36 168.64 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 120.811 0.339 . . . . 72.34 111.013 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -110.3 161.87 15.19 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.022 -0.424 . . . . 72.41 111.445 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HB3' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -56.07 -26.27 48.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.322 0.86 . . . . 73.04 113.322 -176.143 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 28.4 t70 -61.7 -29.62 70.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.056 0.455 . . . . 73.1 112.066 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.23 2.73 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.574 0.583 . . . . 64.22 112.574 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.6 mt -106.1 141.64 23.16 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 112.126 0.417 . . . . 62.53 112.126 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.3 163.84 37.44 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.678 2.252 . . . . 75.02 112.863 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.78 -57.96 3.57 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.025 0.75 . . . . 75.51 113.025 -173.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -51.18 -32.97 25.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.817 1.043 . . . . 62.31 113.817 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.39 -45.22 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 120.97 0.414 . . . . 74.21 111.643 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -84.14 -8.81 58.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.015 0.436 . . . . 72.32 111.178 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.23 -5.96 36.05 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.353 0.597 . . . . 72.41 111.122 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -110.06 -32.8 6.88 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.207 -0.451 . . . . 74.31 111.709 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 94' ' ' LEU . 6.8 mp -93.92 124.48 37.95 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.927 0.394 . . . . 75.22 111.411 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.76 55.39 8.37 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.146 -0.55 . . . . 51.14 113.023 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.7 t -107.75 141.73 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.333 0.587 . . . . 74.52 112.211 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -159.51 -39.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.253 -0.885 . . . . 63.23 110.198 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.64 104.14 9.05 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.9 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 37.7 tt0 -56.87 -23.74 46.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.98 0.733 . . . . 73.3 112.98 -177.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 68.0 m80 66.08 -157.94 0.26 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.811 -0.44 . . . . 70.0 109.811 -169.676 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -123.42 136.59 54.69 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.896 -0.503 . . . . 72.04 110.69 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.1 84.83 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.247 0.546 . . . . 70.32 111.34 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -166.33 123.7 1.37 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.879 -0.6 . . . . 64.43 111.111 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -91.78 144.8 25.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.624 0.249 . . . . 71.02 110.687 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.887 -0.578 . . . . 61.54 111.142 177.857 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.084 0.469 . . . . 72.03 111.024 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -93.07 116.34 28.95 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.14 0.495 . . . . 74.13 112.08 -173.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.7 pt? -97.84 0.93 47.61 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.335 -0.393 . . . . 52.05 111.787 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -98.46 -65.13 0.98 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 122.269 -0.269 . . . . 72.24 111.515 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -93.73 82.27 4.31 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.282 0.563 . . . . 60.04 110.328 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -119.27 165.07 14.72 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.769 -0.651 . . . . 72.14 112.34 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 -143.33 46.13 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 115.824 -0.626 . . . . 52.42 114.393 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER 66.07 -176.48 0.19 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.318 0.647 . . . . 74.04 111.92 -177.87 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.79 121.32 36.96 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.397 0.888 . . . . 75.41 113.397 -169.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -97.31 114.67 26.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.037 -0.529 . . . . 60.21 110.024 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.24 121.31 34.47 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.044 0.449 . . . . 73.11 111.396 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -85.31 99.88 11.44 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.985 -0.552 . . . . 75.24 110.879 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 39' ' ' LEU . 30.7 m -128.12 152.13 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.93 -0.577 . . . . 74.51 111.111 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.56 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.9 pt20 -95.55 139.96 31.08 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.875 0.369 . . . . 73.23 110.894 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.487 HD11 HD13 ' A' ' 65' ' ' LEU . 46.2 mm -76.15 114.96 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.971 0.415 . . . . 74.12 111.365 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -102.42 -66.61 0.92 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.291 -0.413 . . . . 75.24 111.583 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.81 130.7 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.523 0.678 . . . . 74.43 112.802 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.31 -174.86 3.51 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.621 -0.718 . . . . 75.33 111.174 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.2 70.14 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.251 0.86 . . . . 63.14 115.251 173.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 25.5 mmtp -69.6 94.75 0.8 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.523 0.661 . . . . 73.13 111.722 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.67 107.28 12.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.133 -0.354 . . . . 60.32 111.748 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 34' ' ' ASP . 31.3 m -92.85 58.89 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.618 0.723 . . . . 73.43 111.385 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.08 37.67 1.4 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.854 -0.612 . . . . 75.22 110.92 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -50.66 -34.53 26.77 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.078 1.14 . . . . 75.54 114.078 -170.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -108.42 22.05 16.46 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.996 -0.44 . . . . 63.44 111.739 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -70.71 -24.45 62.65 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.727 0.64 . . . . 72.05 112.727 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.63 -16.95 43.93 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.767 0.655 . . . . 64.22 112.767 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -77.0 -6.79 54.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.205 0.446 . . . . 73.4 112.205 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.15 -41.81 1.42 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.106 -0.569 . . . . 73.44 113.889 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -90.47 111.55 22.86 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.329 -0.512 . . . . 64.44 111.21 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 93.9 mttt -90.78 77.19 6.3 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.343 0.592 . . . . 74.54 111.606 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -79.65 129.54 34.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.914 -0.585 . . . . 73.21 111.105 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -118.63 103.61 9.86 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.872 0.693 . . . . 72.2 112.872 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.4 m-20 -109.85 128.07 55.09 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.041 -0.527 . . . . 64.42 109.949 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 54' ' ' THR . 54.9 m-85 -89.29 114.73 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.772 0.286 . . . . 75.42 111.772 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 20.9 tt0 -78.78 139.7 38.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.949 0.404 . . . . 63.24 111.282 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HE1' ' HB3' ' A' ' 55' ' ' ALA . 93.8 m-85 -118.87 110.03 16.71 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.009 0.433 . . . . 72.54 110.402 174.091 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -96.57 113.05 24.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.956 -0.565 . . . . 70.22 111.292 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -152.12 167.82 27.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.99 0.424 . . . . 73.25 111.817 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.8 m -116.3 120.92 40.44 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.965 0.358 . . . . 75.33 111.965 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.09 147.1 18.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.401 -0.428 . . . . 70.31 112.408 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 96.6 m-85 -113.03 106.9 15.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 75.3 112.057 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.673 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 21.5 t70 -81.28 137.53 35.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.02 -0.536 . . . . 71.0 110.387 177.487 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 20.6 ttmm 60.96 14.98 5.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.944 0.402 . . . . 73.22 110.925 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.2 5.51 4.71 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 121.191 0.52 . . . . 63.41 111.818 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.25 -42.53 0.18 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.208 -0.52 . . . . 41.15 113.455 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.673 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.4 mmtt -71.2 135.21 47.43 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.546 -0.385 . . . . 74.15 111.393 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.28 142.56 29.02 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.788 0.327 . . . . 74.14 111.025 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.707 ' HE3' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -144.16 130.02 19.35 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.058 0.456 . . . . 75.24 111.066 176.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.707 ' H ' ' HE3' ' A' ' 49' ' ' LYS . 4.2 mp0 -71.31 115.81 10.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.948 -0.569 . . . . 72.01 111.099 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.2 mp -113.55 117.97 33.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.052 0.453 . . . . 73.32 111.344 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -130.55 115.01 16.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.091 0.472 . . . . 75.3 110.964 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -127.13 160.87 29.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.026 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 70.2 p -115.86 145.72 42.62 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.544 0.572 . . . . 54.11 112.544 -176.66 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -133.99 163.26 29.93 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.007 -0.542 . . . . 35.44 111.055 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 -8.09 49.55 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.938 0.348 . . . . 65.12 111.938 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.31 169.77 17.6 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.406 -0.361 . . . . 74.01 111.265 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -73.33 143.54 46.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.947 0.403 . . . . 63.13 110.458 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.7 mt -105.91 -80.17 0.56 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.891 0.377 . . . . 72.55 111.425 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -151.88 173.93 14.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.229 -0.441 . . . . 74.55 111.087 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 29.5 mtpp -139.91 138.21 35.46 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.332 -0.618 . . . . 74.13 109.332 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 39.2 tt0 74.46 -36.29 0.32 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.693 0.397 . . . . 74.23 112.053 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.21 156.77 38.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.881 0.372 . . . . 35.21 111.662 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 94.6 m-85 -89.88 166.8 13.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.45 0.643 . . . . 73.33 111.888 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 78' ' ' TRP . 3.9 tt -154.87 126.71 7.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.002 -0.544 . . . . 64.23 110.361 -176.544 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -80.47 96.35 6.73 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.467 -0.333 . . . . 72.42 110.526 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.1 t -88.22 121.11 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.607 0.717 . . . . 73.54 111.819 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -79.2 106.44 11.24 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.97 -1.014 . . . . 63.31 111.283 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.94 114.42 21.21 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.037 -0.529 . . . . 72.2 111.812 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.03 173.64 4.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.184 -0.462 . . . . 60.01 110.485 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -50.83 -42.43 58.43 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.03 0.382 . . . . 65.04 112.03 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -110.83 -72.21 0.73 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.136 0.494 . . . . 64.44 112.147 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -156.73 -156.04 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.179 -172.606 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.38 3.17 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.43 0.532 . . . . 64.12 114.43 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.6 t 72.48 114.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.422 0.63 . . . . 73.11 111.816 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.4 t -86.32 -28.73 23.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.491 0.552 . . . . 20.32 112.491 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.3 166.96 30.18 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.335 0.494 . . . . 72.54 112.335 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.693 ' HB2' HD21 ' A' ' 65' ' ' LEU . 43.3 p-90 -162.29 140.93 9.06 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.615 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.75 144.06 50.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.57 0.348 . . . . 71.44 111.22 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -98.72 131.5 44.83 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.043 0.449 . . . . 73.52 111.762 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -146.72 134.03 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 121.112 0.482 . . . . 73.34 111.97 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -92.57 159.17 15.61 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.848 -0.533 . . . . 74.05 110.802 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -18.12 60.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 75.14 111.019 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.81 -38.39 79.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.884 -0.598 . . . . 65.21 110.765 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.4 -34.41 54.82 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.745 -0.661 . . . . 73.12 111.137 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -70.51 147.88 95.03 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.9 -0.591 . . . . 63.1 111.804 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.413 ' HG2' HG23 ' A' ' 90' ' ' VAL . 37.9 Cg_endo -65.97 147.6 84.85 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.492 2.128 . . . . 64.5 113.095 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.19 -28.82 43.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.331 -0.395 . . . . 73.43 111.911 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -50.34 -38.59 42.75 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.15 0.426 . . . . 61.24 112.15 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.413 HG23 ' HG2' ' A' ' 87' ' ' PRO . 60.0 t -69.41 -55.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.069 0.461 . . . . 52.45 111.462 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -71.08 -13.78 62.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.816 0.341 . . . . 71.32 111.617 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.09 -16.6 64.09 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.365 0.603 . . . . 72.2 110.498 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -100.58 -51.91 3.48 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.198 -0.455 . . . . 64.3 110.443 172.601 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.95 101.21 10.99 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.807 0.336 . . . . 71.41 111.709 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.83 52.72 1.75 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 114.641 0.616 . . . . 64.45 114.641 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.72 115.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 122.275 -0.544 . . . . 75.44 111.279 174.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -110.98 166.09 11.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.985 0.421 . . . . 75.21 111.836 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.2 pt? -72.01 27.91 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.669 0.618 . . . . 73.33 112.669 177.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -82.36 4.28 24.57 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.17 0.804 . . . . 70.21 113.17 -172.689 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -68.9 110.27 4.32 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.839 0.352 . . . . 74.24 110.584 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -111.51 156.23 22.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.975 0.417 . . . . 52.12 112.101 -174.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -144.91 152.54 40.39 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.884 0.373 . . . . 63.01 111.387 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -124.87 138.57 54.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.656 0.382 . . . . 71.53 110.831 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 65.78 177.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 110.673 -0.121 . . . . 53.53 110.673 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--O 1.251 1.155 0 O-C-N 121.061 -1.024 . . . . 74.03 111.212 175.028 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.687 0.28 . . . . 71.12 111.067 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.14 77.86 1.77 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.013 0.435 . . . . 73.43 111.777 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.57 -34.9 5.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.018 0.437 . . . . 74.11 111.547 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 74.0 m-20 -78.05 11.55 2.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.912 0.708 . . . . 64.34 112.912 -173.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -123.1 11.79 9.53 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.801 0.334 . . . . 70.21 111.753 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 mmt -74.79 162.65 28.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.032 0.444 . . . . 75.25 111.469 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.88 11.0 1.12 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.183 -0.532 . . . . 74.41 113.202 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -87.45 110.67 20.46 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.463 -0.569 . . . . 71.14 109.463 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -79.61 174.58 11.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.418 0.896 . . . . 71.43 113.418 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.4 161.4 22.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.159 -0.928 . . . . 74.32 111.191 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -140.88 120.95 13.72 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.516 -0.311 . . . . 73.44 111.13 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.26 100.37 5.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.406 0.622 . . . . 71.35 110.704 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.53 HG11 HD13 ' A' ' 39' ' ' LEU . 12.2 m -90.94 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.467 -0.788 . . . . 61.4 110.818 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -129.37 127.03 40.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.911 -0.586 . . . . 74.34 109.697 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 65' ' ' LEU . 44.4 mm -63.97 89.93 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.216 0.532 . . . . 63.53 111.693 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.0 p -80.32 -63.97 1.29 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.595 -0.729 . . . . 65.34 111.308 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.62 122.71 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.343 0.592 . . . . 72.13 111.674 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -130.29 163.01 27.71 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.04 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.58 50.28 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.98 -0.629 . . . . 34.44 114.045 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.686 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 1.4 tmtp? -77.37 111.46 13.07 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.475 -0.426 . . . . 62.32 110.493 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.63 147.12 23.51 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.177 0.513 . . . . 73.22 111.895 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.36 106.99 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.78 0.8 . . . . 72.3 111.464 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -70.41 43.27 0.06 Allowed 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 115.143 -0.935 . . . . 73.2 111.204 173.504 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -86.06 -3.71 59.01 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.532 0.568 . . . . 62.53 112.532 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -134.61 80.41 1.85 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.685 0.755 . . . . 72.25 111.143 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -130.09 76.01 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.145 -0.934 . . . . 65.34 110.047 168.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.29 -61.91 2.13 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.191 -0.459 . . . . 52.13 111.88 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -153.79 79.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.363 0.601 . . . . 72.02 110.25 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.78 60.1 0.07 OUTLIER Glycine 0 CA--C 1.523 0.552 0 CA-C-N 115.588 -0.733 . . . . 64.4 112.221 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -42.21 100.21 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.608 0.718 . . . . 75.42 112.452 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -142.15 2.84 1.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.707 -0.679 . . . . 73.11 111.582 -174.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -151.88 141.99 22.24 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.092 0.404 . . . . 72.42 112.092 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 10.2 mtmp? -138.67 147.25 42.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.923 0.489 . . . . 74.24 111.085 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.05 171.72 7.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.125 0.488 . . . . 64.32 111.229 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -110.5 148.62 31.73 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.017 172.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.686 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 40.0 tt0 -129.67 146.58 51.44 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.384 0.513 . . . . 71.44 112.384 -172.545 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -129.57 109.8 11.31 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.076 -0.511 . . . . 72.34 111.949 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -103.1 107.43 18.24 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.416 -0.587 . . . . 72.2 109.416 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD13 HG11 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -143.66 152.03 40.83 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.187 0.81 . . . . 73.02 113.187 -170.321 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.456 ' OG1' ' HG2' ' A' ' 50' ' ' GLU . 83.2 m -100.85 133.01 45.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.716 -0.674 . . . . 62.34 111.414 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.482 ' CA ' HG12 ' A' ' 13' ' ' VAL . . . -113.61 145.37 18.38 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.246 -0.502 . . . . 61.04 113.201 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.99 124.59 47.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.33 0.252 . . . . 70.12 111.083 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -155.38 -178.34 7.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.838 0.351 . . . . 74.32 110.881 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? 70.68 -79.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.499 0.719 . . . . 73.53 111.316 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -159.24 69.5 0.45 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.45 0.643 . . . . 61.03 110.605 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.16 39.19 96.91 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.706 -0.679 . . . . 75.12 112.529 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -111.8 129.76 56.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.499 0.319 . . . . 75.55 110.533 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.82 157.16 17.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.633 0.73 . . . . 72.21 112.267 -175.497 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -157.28 131.42 8.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 71.03 110.485 172.317 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' HG2' ' OG1' ' A' ' 40' ' ' THR . 44.2 mt-10 -90.55 114.32 26.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.72 0.295 . . . . 74.43 111.357 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 51' ' ' LEU . 2.9 mm? -102.66 153.15 20.4 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.086 0.469 . . . . 63.33 111.364 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.59 124.38 35.75 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.535 . . . . 64.42 111.029 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.28 159.55 44.28 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.968 0.413 . . . . 71.4 111.336 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.1 p -115.06 151.06 34.93 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.019 0.438 . . . . 70.5 111.405 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.36 156.32 46.85 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.994 0.426 . . . . 62.33 111.693 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.98 -33.93 76.95 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.696 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -138.35 172.95 12.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.001 -0.545 . . . . 71.41 111.265 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -79.06 106.7 11.28 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.585 -0.524 . . . . 75.12 109.585 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.94 -80.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.58 0.585 . . . . 74.43 112.58 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -177.09 115.67 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.866 0.365 . . . . 55.31 110.584 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -74.92 158.3 33.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.282 0.845 . . . . 70.03 113.282 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 70.82 0.51 3.37 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.732 1.012 . . . . 71.22 113.732 172.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.29 172.66 7.02 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.982 0.42 . . . . 63.13 111.698 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -93.06 159.62 15.22 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.091 0.472 . . . . 74.44 110.859 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 78' ' ' TRP . 6.6 tt -156.79 125.77 5.94 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.003 0.43 . . . . 73.44 111.072 -175.159 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -80.75 105.98 12.4 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.79 0.329 . . . . 71.15 111.064 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -92.5 129.25 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 71.43 110.84 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 17.8 t80 -89.27 111.53 22.37 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.84 -0.618 . . . . 75.33 111.302 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.52 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 50.9 t-80 -99.16 121.35 40.9 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.599 0.592 . . . . 65.21 112.599 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -110.26 165.79 11.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.097 -0.501 . . . . 73.11 111.318 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.3 -72.61 0.07 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.039 0.755 . . . . 74.43 113.039 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -95.81 -28.47 14.72 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.04 -0.412 . . . . 75.41 112.023 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.49 -23.59 62.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.1 0.476 . . . . 74.44 111.928 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.28 -70.85 2.34 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.846 -0.692 . . . . 62.11 112.458 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 82.1 t -129.81 118.15 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.185 0.517 . . . . 55.41 112.043 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 m -88.26 -40.02 13.97 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.086 -0.507 . . . . 71.03 111.61 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.38 -179.99 7.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.307 -0.406 . . . . 53.44 110.902 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.888 ' HB2' HD21 ' A' ' 65' ' ' LEU . 37.8 p-90 -155.38 145.12 21.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.943 0.401 . . . . 74.43 111.984 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -125.06 139.69 53.56 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.269 -0.423 . . . . 75.3 110.768 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -99.22 128.79 45.4 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.775 0.322 . . . . 71.31 110.647 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.1 141.7 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 121.395 0.617 . . . . 75.51 112.317 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.26 160.58 28.78 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.238 0.542 . . . . 72.52 111.58 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -58.56 -41.87 86.65 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.886 -0.597 . . . . 74.52 110.7 176.769 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.55 -18.05 65.15 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.366 0.506 . . . . 74.12 112.366 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.67 -7.81 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.663 0.268 . . . . 71.51 111.59 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -101.75 140.07 20.9 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.836 -0.166 . . . . 55.24 111.12 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.449 ' O ' HG22 ' A' ' 90' ' ' VAL . 42.9 Cg_endo -66.93 144.81 71.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.425 2.083 . . . . 72.34 112.548 178.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.64 -24.93 3.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.188 0.811 . . . . 74.51 113.188 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 7.9 mptt -57.14 -26.79 61.12 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.383 0.512 . . . . 75.13 112.383 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 87' ' ' PRO . 18.7 m -68.93 -27.39 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 120.97 0.414 . . . . 73.11 111.089 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -94.65 -37.05 11.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.192 -0.458 . . . . 75.31 111.357 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.15 -21.13 66.0 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.067 0.395 . . . . 74.42 112.067 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -105.38 -12.37 16.06 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.185 0.439 . . . . 71.43 112.185 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.62 119.85 23.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.151 0.5 . . . . 74.34 111.974 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.6 8.63 30.19 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.296 -0.478 . . . . 75.23 113.53 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.43 127.13 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 O-C-N 122.483 -0.422 . . . . 74.0 110.651 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.611 ' O ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -112.17 122.69 48.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.809 0.337 . . . . 61.44 111.563 -176.865 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.557 ' HG ' ' H ' ' A' ' 99' ' ' GLU . 24.7 tp 54.76 -178.78 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.357 -0.383 . . . . 71.21 111.081 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.557 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 33.9 tt0 54.54 77.97 0.18 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.634 0.605 . . . . 44.32 112.634 170.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.28 104.14 14.06 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.855 -0.424 . . . . 71.3 109.855 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -57.53 113.25 1.71 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.009 0.744 . . . . 53.25 113.009 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -76.65 88.8 3.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.092 -0.504 . . . . 61.31 111.779 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -79.63 100.42 7.82 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.6 -0.519 . . . . 74.11 109.6 171.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.86 175.63 7.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.245 0.545 . . . . 74.32 112.27 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.575 -0.739 . . . . 75.31 110.42 174.1 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.628 0.251 . . . . 74.23 111.628 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -137.47 132.04 32.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.776 0.322 . . . . 72.2 111.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.2 pt? -115.18 -12.15 11.92 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.931 0.396 . . . . 55.01 111.263 175.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 42.5 m-80 -84.0 -46.41 12.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.054 0.761 . . . . 73.04 113.054 -172.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' HD2' ' N ' ' A' ' 5' ' ' ARG . 5.3 mpt_? -92.77 -77.83 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.817 -0.552 . . . . 70.54 111.512 -176.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.2 mtm 38.36 -87.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.668 1.358 . . . . 75.44 114.668 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 -2.48 55.79 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 115.092 0.797 . . . . 74.4 115.092 -168.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 127.25 34.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.753 0.777 . . . . 75.13 111.512 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.53 165.11 15.08 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.945 -0.57 . . . . 72.55 112.13 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.752 ' HG3' ' HD3' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -100.61 126.92 47.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.227 0.537 . . . . 73.12 110.572 172.363 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 1.7 m-85 -93.33 135.88 34.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.797 0.332 . . . . 73.44 111.686 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.6 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 92.2 m-85 -84.17 109.68 17.93 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.582 -0.281 . . . . 75.21 110.895 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' HA2' ' A' ' 41' ' ' GLY . 16.6 m -116.74 142.19 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.267 0.556 . . . . 73.21 111.679 178.01 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -106.38 127.84 53.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.601 -0.727 . . . . 70.41 110.542 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.645 HD11 HD12 ' A' ' 65' ' ' LEU . 49.2 mm -67.64 110.01 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.347 0.499 . . . . 71.13 112.347 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -111.42 -66.64 1.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.873 -0.603 . . . . 41.42 111.591 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -90.58 124.77 43.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.227 0.537 . . . . 72.42 112.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -131.97 179.35 6.14 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.077 0.465 . . . . 72.13 112.024 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.58 8.34 62.95 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 115.113 0.805 . . . . 61.14 115.113 170.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -83.02 94.51 7.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.866 0.833 . . . . 63.02 111.302 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.18 131.51 39.39 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.266 0.555 . . . . 75.01 112.056 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.3 m -86.56 81.14 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.981 0.896 . . . . 64.2 110.802 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -112.08 26.21 10.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.401 -0.818 . . . . 65.13 110.831 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -48.78 -58.29 5.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.061 0.763 . . . . 51.43 113.061 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -176.74 77.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.256 0.465 . . . . 74.44 112.256 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 39.0 50.69 1.79 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.954 0.502 . . . . 44.45 112.254 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.64 -2.83 0.58 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.74 1.385 . . . . 72.32 114.74 -168.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -142.9 11.54 1.82 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.755 -0.59 . . . . 75.31 111.665 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.55 -42.27 1.8 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.318 -0.468 . . . . 54.24 113.448 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -112.45 158.4 19.91 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.58 -0.365 . . . . 74.34 111.041 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 61.75 5.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.72 0.771 . . . . 64.21 112.693 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -84.33 163.52 19.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.742 -0.663 . . . . 75.52 110.649 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -143.68 113.57 7.18 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.277 0.473 . . . . 73.54 112.277 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' HG22 ' A' ' 22' ' ' VAL . 77.3 m-20 -102.26 139.89 37.26 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 110.188 -0.301 . . . . 45.41 110.188 169.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -82.47 109.63 16.86 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.234 0.54 . . . . 63.44 110.809 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 13.2 tt0 -83.69 132.01 34.9 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.726 0.639 . . . . 74.01 112.726 -175.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -107.92 98.96 8.47 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.965 -0.561 . . . . 73.45 110.16 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -99.32 105.44 17.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.114 0.483 . . . . 74.31 111.025 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.33 171.3 14.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.079 0.466 . . . . 63.33 112.14 -175.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -96.21 125.63 40.86 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.847 0.356 . . . . 64.34 111.573 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -100.99 134.4 11.68 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 121.466 -0.397 . . . . 74.24 112.622 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.31 142.6 27.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.241 0.544 . . . . 73.22 111.273 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.809 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 19.8 t0 -127.96 132.16 49.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.788 -0.642 . . . . 64.21 112.585 -166.21 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 47.54 -94.48 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.936 1.087 . . . . 70.2 113.936 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -108.8 20.27 18.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.451 0.538 . . . . 54.43 112.451 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.82 11.11 7.93 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.027 -0.606 . . . . 71.43 113.852 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 29.9 mmmt -69.61 160.94 30.62 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.881 0.34 . . . . 72.45 110.166 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.62 123.25 26.05 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.345 0.593 . . . . 64.43 112.474 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.0 146.1 48.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.923 -0.58 . . . . 74.24 110.187 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.83 120.78 26.47 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.928 0.394 . . . . 63.43 111.185 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.85 121.17 43.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.282 -0.417 . . . . 64.21 110.87 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -126.85 117.94 23.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.94 0.4 . . . . 74.14 110.786 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.549 ' HB3' HG11 ' A' ' 75' ' ' VAL . 42.6 p90 -127.37 135.41 50.45 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.992 0.425 . . . . 64.13 111.551 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 58.0 p -94.8 109.74 21.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 75.42 111.25 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.99 141.75 30.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.263 -0.426 . . . . 60.32 111.362 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -69.87 -3.95 18.14 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.248 0.462 . . . . 61.32 112.248 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -160.24 174.7 13.83 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.744 0.307 . . . . 72.53 111.034 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.0 131.46 34.46 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.76 0.314 . . . . 73.44 110.81 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.85 -176.24 3.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.954 0.407 . . . . 72.53 112.091 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 60' ' ' ARG . 3.6 mpt_? -64.45 112.71 3.25 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.269 0.556 . . . . 74.4 111.943 -177.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -85.78 155.63 20.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.525 . . . . 71.0 111.474 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.99 11.02 8.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.959 0.504 . . . . 75.42 111.573 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.12 178.31 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.777 0.323 . . . . 51.21 111.173 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -116.12 142.73 46.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.36 0.6 . . . . 74.33 111.658 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 15' ' ' ILE . 52.7 mt -125.15 130.52 52.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.328 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.752 ' HD3' ' HG3' ' A' ' 10' ' ' GLU . 50.9 mtt180 -82.89 93.67 7.55 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.659 -0.497 . . . . 72.43 109.659 168.776 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -91.31 125.74 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.488 0.661 . . . . 65.41 112.012 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.03 119.19 13.86 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.945 -1.025 . . . . 65.1 111.31 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 45.4 t-80 -112.12 118.26 34.88 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.118 0.485 . . . . 54.4 112.087 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 m -97.65 -167.48 1.53 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.077 -0.51 . . . . 64.5 111.116 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -59.33 3.42 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.913 0.709 . . . . 51.41 112.913 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 49.0 pttt -82.87 -62.2 1.66 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 120.887 0.375 . . . . 71.24 111.26 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.57 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 31.6 mtmm -154.67 -50.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.176 0.59 . . . . 71.11 110.224 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.88 -78.67 1.36 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.173 -0.537 . . . . 72.55 113.135 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 53' ' ' PHE . 14.2 t 53.2 35.53 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.65 0.738 . . . . 65.34 111.273 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 m -58.85 -23.76 61.19 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.012 -0.54 . . . . 74.44 112.032 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.02 130.35 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.916 0.339 . . . . 74.04 111.916 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -120.11 128.93 53.91 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.376 -0.374 . . . . 73.54 110.062 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -117.66 141.0 48.89 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.217 0.532 . . . . 71.34 111.902 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.6 tt0 -81.34 97.04 7.51 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.652 -0.704 . . . . 71.4 112.273 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.03 142.96 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.316 0.579 . . . . 65.15 111.256 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -114.83 172.19 7.19 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.266 0.555 . . . . 73.1 111.457 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.48 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -10.02 0.35 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.118 1.155 . . . . 65.03 114.118 -176.891 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.56 -40.73 75.69 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.495 0.554 . . . . 62.32 112.495 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.31 -0.24 44.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.786 0.661 . . . . 73.2 112.786 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -86.2 124.25 70.46 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 111.854 0.316 . . . . 74.04 111.854 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.63 ' O ' HG12 ' A' ' 90' ' ' VAL . 36.2 Cg_endo -65.43 126.41 16.18 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.346 2.031 . . . . 71.03 112.448 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.81 -41.63 3.3 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.312 0.856 . . . . 52.44 113.312 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 93' ' ' LYS . 93.6 mttt -61.89 -35.26 77.83 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.725 0.639 . . . . 73.14 112.725 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 87' ' ' PRO . 4.2 p -65.49 -21.03 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.912 -0.492 . . . . 64.11 111.139 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -99.51 -57.47 2.14 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.178 -0.465 . . . . 51.32 111.405 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.41 -37.97 89.4 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.237 0.458 . . . . 72.53 112.237 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 89' ' ' LYS . 24.0 tptm -92.89 -40.73 10.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.649 0.261 . . . . 74.51 110.688 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 95' ' ' GLY . 7.0 tt 71.25 131.87 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.217 0.607 . . . . 73.22 112.059 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.474 ' N ' HD23 ' A' ' 94' ' ' LEU . . . 78.13 37.93 27.44 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 116.017 -0.538 . . . . 62.11 114.219 174.579 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 90' ' ' VAL . 19.7 m -108.05 146.08 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 122.587 -0.36 . . . . 62.22 110.544 175.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -61.78 113.24 2.64 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.084 0.468 . . . . 71.53 111.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.6 ' HG ' ' HE2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -62.86 120.39 11.22 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.23 -0.441 . . . . 64.03 110.219 175.042 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -174.65 94.3 0.08 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.023 0.44 . . . . 53.15 111.941 -174.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -92.4 -23.37 19.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.733 -0.469 . . . . 75.21 109.733 164.54 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.2 t60 68.79 -62.87 0.38 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.771 0.828 . . . . 65.34 112.982 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -49.33 104.89 0.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.987 0.515 . . . . 70.03 111.722 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -140.14 19.42 2.44 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.025 0.38 . . . . 74.45 112.025 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -143.02 96.13 2.88 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.075 0.464 . . . . 53.53 111.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.552 -0.737 . . . . 63.45 112.518 179.257 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.885 0.374 . . . . 73.05 111.403 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -144.97 147.84 33.12 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.073 -0.512 . . . . 73.12 110.468 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -98.24 0.2 45.27 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.018 0.437 . . . . 62.44 111.801 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.31 -55.26 5.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 62.13 111.339 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -99.97 -49.12 4.43 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.517 -0.31 . . . . 62.14 111.47 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 86.3 mtp 58.55 -168.1 0.14 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.748 0.647 . . . . 74.11 112.748 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.53 117.97 0.48 Allowed Glycine 0 CA--C 1.527 0.826 0 CA-C-N 116.041 -0.527 . . . . 62.11 112.569 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -93.88 82.79 4.28 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.267 0.556 . . . . 72.14 111.368 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -75.1 145.48 42.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.452 0.644 . . . . 73.41 112.121 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.21 129.22 49.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.625 -0.716 . . . . 64.42 110.221 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.08 143.58 35.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.102 0.477 . . . . 54.22 112.012 -172.158 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -99.72 100.29 11.24 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.075 0.464 . . . . 61.41 110.863 174.17 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' HA2' ' A' ' 41' ' ' GLY . 33.1 m -98.36 -179.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.203 -0.453 . . . . 45.25 110.758 177.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 29.4 pt20 -133.47 145.46 50.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.941 0.401 . . . . 75.52 111.228 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.702 HD11 HD12 ' A' ' 65' ' ' LEU . 43.5 mm -88.48 95.77 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.103 0.478 . . . . 74.11 111.75 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -97.19 -61.53 1.39 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.128 -0.487 . . . . 61.41 111.111 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -90.44 127.02 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.284 0.564 . . . . 62.31 112.169 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -131.63 -173.73 3.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.871 -0.604 . . . . 55.13 111.347 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 35' ' ' TYR . . . 72.37 8.8 71.72 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 115.091 0.796 . . . . 55.24 115.091 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 74.3 mmtt -73.45 71.25 1.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.823 0.811 . . . . 61.44 111.213 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 50.8 mt-10 -70.37 124.73 24.9 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.949 0.404 . . . . 73.43 111.773 -177.497 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.04 58.56 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.851 0.834 . . . . 70.24 111.251 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -98.1 38.15 1.35 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.667 -0.697 . . . . 75.02 111.235 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -68.56 78.06 0.28 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.192 0.441 . . . . 52.24 112.192 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 55.49 17.03 2.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 112.925 0.713 . . . . 55.01 112.925 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.35 32.89 19.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.046 0.451 . . . . 62.32 111.466 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 24.4 t70 -59.33 92.29 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.955 -0.566 . . . . 71.25 111.907 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 3.8 t-20 163.24 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.01 . . . . 71.21 109.934 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.2 -40.76 1.49 Allowed Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.133 -0.94 . . . . 55.44 111.249 -173.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -89.89 136.38 33.08 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.885 0.374 . . . . 72.43 110.443 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -77.09 92.21 3.75 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.964 0.411 . . . . 75.44 111.73 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -71.38 146.82 48.52 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.193 0.442 . . . . 51.31 112.193 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -165.33 59.37 0.12 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.69 0.757 . . . . 74.4 110.272 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 3.8 m-20 -112.27 148.38 34.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 70.14 110.984 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.415 ' HD2' ' HA2' ' A' ' 19' ' ' GLY . 37.9 m-85 -84.93 108.96 17.81 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.154 0.502 . . . . 73.11 112.009 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 43.9 tt0 -87.89 150.65 23.37 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.962 -0.563 . . . . 52.52 111.665 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 80.6 m-85 -129.42 113.59 15.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.446 -0.343 . . . . 74.45 111.797 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.24 97.6 10.0 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 110.014 -0.365 . . . . 71.3 110.014 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.5 mt -111.86 147.76 35.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.128 0.489 . . . . 45.51 112.267 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -102.47 122.23 43.92 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.756 0.312 . . . . 75.11 110.92 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -104.24 146.73 16.33 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 121.354 -0.451 . . . . 75.22 112.897 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -111.94 124.48 52.47 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.18 0.514 . . . . 74.2 111.347 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 28.0 t70 -69.72 154.87 41.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.871 -0.604 . . . . 70.22 111.979 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -62.91 -13.94 40.55 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.937 0.718 . . . . 74.15 112.937 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -102.01 -11.16 19.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.051 0.453 . . . . 75.35 111.132 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.81 45.94 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 121.371 -0.442 . . . . 62.34 113.817 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 56.3 mttp -119.75 168.04 11.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.954 0.377 . . . . 75.31 110.924 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -100.55 145.06 28.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.941 0.401 . . . . 74.01 111.798 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -139.54 141.54 37.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.339 -0.391 . . . . 53.42 110.465 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 44.9 tt0 -90.32 116.21 28.1 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.046 0.387 . . . . 74.21 112.046 -178.436 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 67' ' ' VAL . 2.8 mm? -110.19 141.94 42.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.582 0.353 . . . . 71.32 111.046 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -159.44 140.05 12.3 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.084 -0.385 . . . . 53.42 111.223 175.4 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -161.34 155.28 22.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.858 0.361 . . . . 74.43 111.41 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 50.4 p -104.64 121.38 43.43 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.482 -0.326 . . . . 74.54 111.588 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.91 149.11 32.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.737 0.415 . . . . 71.11 110.744 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -74.46 -14.58 60.85 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.969 0.414 . . . . 64.01 112.046 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -148.36 152.34 36.87 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.661 -0.245 . . . . 73.04 110.814 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 78.1 m-20 -60.16 144.55 49.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.911 0.386 . . . . 71.23 110.801 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.69 -73.12 0.46 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.289 -0.414 . . . . 71.14 112.055 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.671 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 12.4 ttm-85 -168.73 169.17 10.21 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.626 0.25 . . . . 63.34 110.594 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.7 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -96.99 136.2 37.91 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 122.096 -0.377 . . . . 64.41 111.802 173.677 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.16 -21.15 0.23 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.394 0.887 . . . . 74.41 113.394 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.671 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . . . -68.76 163.33 24.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.175 0.512 . . . . 62.25 112.181 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 85.3 m-85 -99.74 164.71 11.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.357 0.598 . . . . 62.21 111.755 -175.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 78' ' ' TRP . 2.0 tt -141.1 118.91 11.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.174 0.511 . . . . 72.34 110.763 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -82.74 95.69 7.94 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.841 -0.618 . . . . 60.32 110.937 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.574 HG21 ' HG ' ' A' ' 51' ' ' LEU . 31.2 m -95.65 142.79 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 121.766 0.793 . . . . 64.44 112.28 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.79 115.1 29.79 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.965 -1.016 . . . . 65.52 111.737 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -83.85 106.63 15.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.853 0.358 . . . . 53.21 111.275 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -87.7 -167.06 1.76 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.989 0.423 . . . . 42.45 111.655 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.86 -11.02 59.98 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.026 0.441 . . . . 73.33 111.802 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -100.64 23.26 10.66 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.393 -0.367 . . . . 64.41 111.747 -171.541 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.53 173.79 0.1 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.596 0.713 . . . . 73.21 112.879 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 50' ' ' GLU . . . 55.45 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 CA-C-N 115.306 -0.861 . . . . 35.23 113.659 -176.36 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 76' ' ' SER . 13.5 p 179.88 165.96 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.892 0.346 . . . . 73.13 110.709 -174.196 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 75' ' ' VAL . 50.5 m -138.12 -57.45 0.66 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.889 0.376 . . . . 71.2 110.87 174.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.21 150.32 23.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.297 -0.411 . . . . 64.03 111.109 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.722 ' HB2' HD21 ' A' ' 65' ' ' LEU . 70.3 p-90 -152.37 145.97 24.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.203 0.525 . . . . 73.13 112.28 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 65' ' ' LEU . 25.5 mt-10 -131.28 130.36 42.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.765 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.85 116.69 22.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.854 0.359 . . . . 71.1 110.087 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.82 147.27 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.489 0.661 . . . . 65.31 112.552 -171.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -78.31 140.23 38.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.666 . . . . 74.5 112.045 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -63.5 -17.49 62.81 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.915 -0.584 . . . . 71.04 111.34 177.604 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.4 -28.01 69.39 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.774 0.657 . . . . 64.31 112.774 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -87.18 -6.17 58.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.514 0.561 . . . . 74.24 112.514 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.0 mt -90.39 123.11 66.38 Favored Pre-proline 0 CA--C 1.541 0.602 0 O-C-N 122.169 -0.332 . . . . 74.0 111.68 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.0 166.08 30.31 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.548 2.165 . . . . 71.12 112.65 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.13 44.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.285 0.476 . . . . 64.42 112.285 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 3.9 mptp? -55.74 -44.98 78.08 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.118 -0.492 . . . . 65.03 111.83 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.8 t -87.86 -44.27 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.389 -0.369 . . . . 62.4 111.796 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.95 -61.04 2.91 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.416 0.524 . . . . 72.31 112.416 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -83.91 -63.55 1.33 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.371 0.508 . . . . 75.2 112.371 -171.393 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.99 -48.5 29.89 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 111.849 0.315 . . . . 65.22 111.849 -175.091 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt 67.84 116.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.152 0.501 . . . . 74.43 111.274 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.45 26.12 5.77 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.127 -0.559 . . . . 41.14 113.057 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 89' ' ' LYS . 42.2 t -114.05 145.34 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 122.656 -0.32 . . . . 62.24 110.81 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.7 126.79 30.57 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.172 0.51 . . . . 60.14 112.344 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.2 mp -81.23 82.73 7.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.173 0.511 . . . . 54.34 110.101 173.754 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -81.44 14.87 2.27 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.856 0.688 . . . . 70.52 112.856 -175.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.32 81.66 1.37 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.344 0.592 . . . . 74.42 111.545 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -110.04 49.35 0.85 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.329 0.585 . . . . 75.41 109.585 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.4 m80 65.51 -64.84 0.18 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.697 -0.683 . . . . 75.53 111.825 -171.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 52.09 68.32 0.83 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.258 0.551 . . . . 71.54 111.57 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -67.32 -45.37 76.66 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.911 -0.586 . . . . 74.23 110.444 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.7 m80 . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.642 -0.708 . . . . 64.22 110.65 171.777 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 1' ' ' MET . 26.1 ptt? . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.043 0.449 . . . . 72.15 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -119.73 37.05 4.3 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.718 -0.614 . . . . 65.2 111.555 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 4' ' ' ASN . 4.2 pp -58.73 -24.61 61.85 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.019 0.437 . . . . 72.42 111.832 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' N ' HD12 ' A' ' 3' ' ' LEU . 29.8 p-10 -75.14 -29.71 60.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.025 0.44 . . . . 75.13 111.658 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -109.28 -66.46 1.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.726 0.298 . . . . 75.32 111.667 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.1 mtt 62.23 -179.52 0.13 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.156 0.503 . . . . 63.41 111.888 -174.026 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.0 -164.94 30.15 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.925 -0.655 . . . . 63.4 113.126 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -129.53 111.1 12.4 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.989 0.423 . . . . 62.42 111.017 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.48 140.18 34.75 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.939 0.4 . . . . 72.31 111.758 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.87 137.88 49.57 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.869 0.366 . . . . 72.43 110.708 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -113.03 137.85 50.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.872 0.368 . . . . 74.32 111.827 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TYR . . . . . 0.464 ' CD1' HD21 ' A' ' 86' ' ' LEU . 48.4 m-85 -88.93 105.48 17.79 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.975 0.417 . . . . 73.04 111.483 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -127.94 168.34 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.404 -0.362 . . . . 61.31 110.615 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -133.62 170.38 15.61 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.698 0.285 . . . . 61.42 110.831 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' HB ' ' O ' ' A' ' 61' ' ' LYS . 44.7 mm -72.12 92.96 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 121.3 0.571 . . . . 54.25 111.681 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.9 p -74.15 -64.56 0.99 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.969 -0.56 . . . . 73.34 110.57 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.7 m -98.8 129.4 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.993 -0.549 . . . . 72.42 111.113 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.84 171.03 9.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.054 0.454 . . . . 71.33 111.4 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.33 10.06 73.93 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 114.605 0.602 . . . . 73.13 114.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 57.4 tptt -69.14 76.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.373 0.606 . . . . 55.54 109.957 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.35 105.68 16.18 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.901 -0.59 . . . . 72.42 110.539 -177.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.6 m -69.35 84.25 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.987 0.899 . . . . 74.32 111.888 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -71.88 65.37 0.53 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.193 -0.912 . . . . 72.13 111.242 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -60.9 -38.21 84.9 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.298 -0.41 . . . . 72.52 111.508 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 63.21 74.85 0.42 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.899 -0.591 . . . . 62.32 111.618 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.63 -19.61 29.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.173 -0.467 . . . . 75.14 111.132 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 53.29 -153.72 0.25 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.564 -0.744 . . . . 75.41 110.754 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 67.54 -12.34 0.28 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.255 0.465 . . . . 73.34 112.255 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.75 -15.25 10.49 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.226 -0.349 . . . . 75.33 112.226 -173.426 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -79.23 115.96 19.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.092 0.472 . . . . 73.23 111.313 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -99.07 99.59 10.63 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.294 0.479 . . . . 73.43 112.294 -174.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -96.69 105.7 17.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.55 -0.295 . . . . 73.1 111.323 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -148.27 61.9 1.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.254 -0.43 . . . . 72.02 111.04 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -95.76 160.01 14.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.927 0.394 . . . . 73.3 111.399 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 92.7 m-85 -97.35 123.3 41.13 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.453 -0.34 . . . . 73.5 110.602 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -111.12 138.07 48.01 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.742 0.306 . . . . 75.11 110.949 -171.741 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 61.0 m-85 -123.89 95.39 4.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.151 0.5 . . . . 72.43 111.803 -175.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 8.3 tppt? -79.53 93.19 5.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.071 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -114.2 137.58 51.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 75.51 111.92 -172.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -96.88 114.26 25.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.785 0.326 . . . . 64.21 110.968 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.82 129.85 10.06 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.438 -0.41 . . . . 75.03 112.697 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 98.5 m-85 -90.69 136.54 33.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.06 0.457 . . . . 74.42 111.753 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -87.43 177.62 7.05 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.349 -0.387 . . . . 62.44 111.063 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -65.19 -31.95 73.38 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.757 1.021 . . . . 63.4 113.757 -169.059 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.41 -4.39 59.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.897 -0.502 . . . . 74.12 111.419 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.76 8.72 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.239 -0.505 . . . . 62.21 112.647 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 72.1 mmtt -77.64 160.65 28.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.404 0.282 . . . . 62.54 110.847 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -111.52 107.91 17.26 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.393 0.616 . . . . 74.41 111.601 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HB2' ' HZ2' ' A' ' 49' ' ' LYS . 4.8 ttmp? -110.61 137.46 48.26 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.882 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.87 125.23 35.68 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.086 0.402 . . . . 65.43 112.086 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.98 167.5 15.22 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.176 0.512 . . . . 74.13 111.561 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 38' ' ' LYS . 11.0 pt-20 -168.11 159.37 10.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.16 -0.473 . . . . 63.0 110.798 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -172.77 148.35 1.85 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.133 0.492 . . . . 74.03 112.207 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.514 HG22 ' HG2' ' A' ' 36' ' ' GLU . 63.0 p -101.56 123.05 44.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.195 0.522 . . . . 73.52 112.069 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.69 136.5 38.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.352 -0.386 . . . . 71.12 110.735 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.76 -31.14 61.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.875 0.369 . . . . 43.24 111.125 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -123.67 162.96 22.02 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.136 -0.483 . . . . 73.22 111.324 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.34 85.28 5.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.314 0.578 . . . . 72.11 109.909 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.09 -176.57 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.956 0.724 . . . . 61.31 112.956 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -57.44 108.04 0.5 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.947 -0.57 . . . . 75.13 111.695 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 57.8 mttp -67.51 -35.73 79.67 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.048 -0.524 . . . . 63.24 112.39 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.58 6.91 32.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.08 0.4 . . . . 72.15 112.08 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.01 23.06 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 65.3 111.861 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -100.6 113.44 26.27 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.29 0.566 . . . . 72.41 110.951 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 80' ' ' GLU . 96.0 mt -89.94 119.38 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.583 . . . . 73.44 111.649 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 31.8 mtp180 -80.78 90.07 5.82 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.942 -0.572 . . . . 75.21 109.787 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.5 m -81.49 141.84 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 64.54 112.725 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.539 ' HD2' ' HG ' ' A' ' 70' ' ' SER . 80.3 t80 -90.77 122.76 33.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.608 -1.178 . . . . 63.41 112.173 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -74.78 89.68 2.31 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.124 0.488 . . . . 70.3 110.361 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.539 ' HG ' ' HD2' ' A' ' 68' ' ' TYR . 42.8 m -80.0 156.51 27.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.842 -0.617 . . . . 54.21 112.441 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.48 -43.19 75.34 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.643 -0.708 . . . . 74.14 111.645 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -81.77 7.4 12.71 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.655 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER 64.4 164.45 0.14 Allowed 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.078 0.466 . . . . 74.0 111.297 -179.481 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.615 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . 73.79 20.55 79.77 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.17 -1.014 . . . . 61.14 114.163 174.186 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.5 t 69.28 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 N-CA-C 113.745 1.017 . . . . 74.25 113.745 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -111.75 -23.33 10.68 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.777 -0.647 . . . . 65.15 110.637 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.79 159.81 37.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.018 -0.537 . . . . 71.04 111.138 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CE3' HD22 ' A' ' 65' ' ' LEU . 44.7 p-90 -146.89 148.06 31.43 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.066 0.46 . . . . 52.21 111.477 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 31.9 mt-10 -109.43 138.99 44.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.795 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.522 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.8 tt0 -99.08 106.86 19.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.919 0.39 . . . . 62.44 111.701 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -129.55 176.68 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.833 0.349 . . . . 52.44 110.835 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 171.84 7.93 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.302 0.572 . . . . 74.21 111.786 175.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -58.13 -11.96 3.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.552 0.575 . . . . 75.42 112.552 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.46 -15.88 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.088 0.773 . . . . 64.24 113.088 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.64 -1.03 30.97 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.738 -0.602 . . . . 60.2 111.465 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 12' ' ' TYR . 91.4 mt -93.02 130.65 35.44 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.416 0.524 . . . . 72.55 112.416 -175.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.543 ' O ' HG12 ' A' ' 90' ' ' VAL . 60.8 Cg_endo -72.99 122.23 7.95 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.528 2.152 . . . . 65.31 112.004 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.05 -22.77 1.74 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.751 0.649 . . . . 65.24 112.751 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -46.51 -45.16 18.29 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 75.44 112.117 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 87' ' ' PRO . 14.5 p -62.9 -36.77 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 120.86 0.362 . . . . 63.34 111.596 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 -22.32 58.63 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.246 0.546 . . . . 72.14 110.868 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.09 -26.76 30.76 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.105 -0.498 . . . . 75.21 111.107 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -91.23 -42.17 10.56 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.076 -0.511 . . . . 73.4 111.785 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.42 129.77 43.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.154 0.502 . . . . 73.21 111.694 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 120.84 -39.47 2.4 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.186 -0.53 . . . . 71.12 112.749 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.4 m -129.64 127.1 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.232 0.539 . . . . 54.44 111.721 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -102.06 123.61 46.24 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.002 0.43 . . . . 64.32 110.802 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 98' ' ' LEU . 1.8 pt? -142.84 137.79 29.87 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.236 0.541 . . . . 75.13 111.342 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 38.6 tt0 -79.01 -38.68 36.02 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.779 0.659 . . . . 64.55 112.779 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 39.9 m80 68.38 175.82 0.27 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.747 0.419 . . . . 63.5 110.426 -167.387 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -127.63 99.7 5.69 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.616 . . . . 64.42 111.519 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.2 113.94 1.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.679 -0.691 . . . . 74.23 111.443 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -73.5 145.32 45.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.483 0.549 . . . . 72.34 112.483 -175.243 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -104.76 137.78 42.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.866 -0.607 . . . . 72.12 111.147 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.606 -0.711 . . . . 71.53 111.094 174.706 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.914 0.387 . . . . 74.01 111.34 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.84 98.86 7.26 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 74.22 111.885 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -114.43 23.79 12.47 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.121 -0.49 . . . . 73.01 111.135 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -74.63 -46.07 40.74 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.841 0.353 . . . . 74.21 111.681 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -132.16 96.85 3.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.475 -0.329 . . . . 70.52 110.799 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.0 mtp -87.47 150.63 23.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.845 0.355 . . . . 73.21 111.302 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.88 61.55 3.34 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 114.766 0.666 . . . . 74.24 114.766 -174.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.523 ' HB3' ' HE1' ' A' ' 68' ' ' TYR . 29.5 mtmt -90.45 86.29 6.4 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 122.237 -0.566 . . . . 75.15 110.381 174.02 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.559 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 3.4 m-20 -87.69 171.89 10.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.756 -0.656 . . . . 71.53 111.669 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.5 99.98 2.23 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.725 0.774 . . . . 75.13 110.316 173.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.99 136.8 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 73.31 111.913 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -89.77 98.7 11.92 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.138 -0.69 . . . . 51.34 109.138 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.055 0.455 . . . . 70.01 112.224 -173.106 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 30.2 pt20 -81.21 150.31 28.68 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.936 0.398 . . . . 73.42 111.583 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HB ' ' H ' ' A' ' 62' ' ' GLU . 48.8 mm -64.64 118.62 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.182 0.438 . . . . 75.14 112.182 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -77.6 -63.43 1.38 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.877 -0.602 . . . . 74.04 110.642 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.82 148.92 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.062 -0.517 . . . . 71.33 111.454 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.97 178.95 6.28 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.344 -0.389 . . . . 71.21 110.962 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.39 55.32 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.977 -0.63 . . . . 40.12 114.351 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -87.11 130.92 34.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.629 0.714 . . . . 64.03 110.085 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.59 166.2 10.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.407 0.622 . . . . 72.21 112.454 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 36' ' ' GLU . 15.5 m -118.53 65.57 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.798 -0.637 . . . . 71.13 112.164 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' LYS . 27.1 t60 -63.0 -29.31 70.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.091 0.472 . . . . 53.2 110.782 175.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t 49.34 -81.0 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.579 1.152 . . . . 72.15 112.883 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' HIS . 20.1 pttp -153.27 24.59 0.54 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.176 -0.465 . . . . 75.21 111.273 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.93 69.78 0.48 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.408 0.623 . . . . 72.41 111.769 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 123.65 33.49 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.958 -0.565 . . . . 62.2 112.314 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 71.82 -37.69 0.4 Allowed 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.412 1.264 . . . . 75.54 114.412 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.59 63.78 0.31 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 121.007 -0.616 . . . . 62.01 112.829 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -35.41 155.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.993 1.479 . . . . 72.12 114.993 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 71.72 3.29 4.61 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.036 -0.984 . . . . 74.22 112.796 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -69.64 158.68 34.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 111.943 0.349 . . . . 71.0 111.943 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -131.92 107.16 8.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.906 0.384 . . . . 75.43 111.895 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 22' ' ' VAL . 4.3 m-20 -115.85 138.09 51.49 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.404 -0.591 . . . . 71.23 109.404 172.153 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 54' ' ' THR . 73.0 m-85 -88.29 146.67 25.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.755 0.65 . . . . 65.01 112.755 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' HB2' HG13 ' A' ' 22' ' ' VAL . 33.7 tt0 -112.03 117.89 33.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 74.12 111.644 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -109.06 101.12 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.063 0.458 . . . . 65.51 110.978 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.93 125.68 51.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.951 -0.568 . . . . 65.23 111.046 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.09 161.5 36.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.132 0.491 . . . . 54.43 112.042 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 84.1 m -98.26 119.48 37.0 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.972 0.415 . . . . 71.1 111.69 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 117.16 4.51 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.162 -0.542 . . . . 74.41 112.064 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -99.88 141.12 33.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 75.13 112.031 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.8 t70 -91.86 164.78 13.55 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.901 -0.591 . . . . 60.1 111.334 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -53.45 -30.51 41.09 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.054 0.761 . . . . 73.34 113.054 -178.232 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.28 8.56 42.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.717 0.636 . . . . 74.11 112.717 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.07 17.33 56.24 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.291 -0.481 . . . . 75.25 113.428 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.2 mmtt -81.1 134.11 35.59 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.711 -0.288 . . . . 74.52 110.823 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.41 141.98 29.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.326 0.584 . . . . 72.13 112.295 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -148.91 95.69 2.44 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.886 -0.597 . . . . 55.02 110.639 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.686 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.4 tt0 -77.78 135.27 37.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.146 0.498 . . . . 73.23 112.101 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.3 pt? -145.64 165.34 29.01 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.928 -0.578 . . . . 64.42 110.703 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 142.77 30.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 71.25 111.567 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.67 149.79 35.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.105 -0.498 . . . . 73.13 111.423 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 17.6 p -96.14 146.43 24.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.266 0.555 . . . . 74.11 112.264 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.74 160.47 35.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.959 -0.564 . . . . 43.4 111.009 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -87.97 -7.47 57.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.241 -0.436 . . . . 71.41 111.67 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -145.92 149.21 33.79 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.623 -0.262 . . . . 63.34 111.621 -167.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -84.74 94.75 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.975 0.417 . . . . 64.45 110.252 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.34 -170.98 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.336 -0.393 . . . . 64.34 111.918 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 6.5 mpt_? -64.29 110.27 2.18 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.164 0.431 . . . . 61.23 112.164 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -61.87 149.63 39.76 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.402 -0.363 . . . . 74.1 111.422 177.116 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' H ' ' HB ' ' A' ' 15' ' ' ILE . 35.6 tt0 70.67 -19.13 0.23 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.935 0.717 . . . . 71.44 112.935 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.61 168.45 14.76 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.015 -0.428 . . . . 71.32 111.219 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.447 ' HB2' HG23 ' A' ' 81' ' ' VAL . 89.8 m-85 -102.24 145.13 29.88 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.502 0.668 . . . . 72.3 112.276 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 80' ' ' GLU . 75.7 mt -116.27 122.54 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 74.0 110.664 174.568 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.9 84.44 6.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.514 -0.55 . . . . 65.22 109.514 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -92.65 124.56 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.653 -0.703 . . . . 71.51 112.31 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.523 ' HE1' ' HB3' ' A' ' 8' ' ' LYS . 29.5 t80 -80.25 139.04 36.87 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.911 -1.041 . . . . 70.25 111.316 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 13.1 t-80 -99.21 128.49 45.35 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.009 0.744 . . . . 73.12 113.009 -173.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.7 m -136.36 135.59 38.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.893 -0.594 . . . . 71.21 110.354 170.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.46 -30.94 26.84 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.991 -0.443 . . . . 71.01 111.227 173.641 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.39 -45.41 39.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.327 -0.397 . . . . 74.23 111.768 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tmtp? -114.66 6.66 15.76 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 112.08 0.4 . . . . 74.54 112.08 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.2 -83.49 0.42 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.328 -0.463 . . . . 22.42 113.602 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.48 109.32 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.029 0.442 . . . . 63.0 110.816 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -90.76 -18.47 24.91 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.073 0.397 . . . . 71.13 112.073 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.63 148.3 1.5 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.456 0.539 . . . . 64.3 112.456 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.423 ' CE3' HD22 ' A' ' 65' ' ' LEU . 57.5 p-90 -143.17 142.59 31.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.074 0.464 . . . . 61.32 110.889 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -115.03 141.49 47.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.371 -0.377 . . . . 65.11 110.979 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.507 ' HA ' HD23 ' A' ' 65' ' ' LEU . 25.4 tt0 -84.48 119.6 25.34 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.72 0.295 . . . . 64.53 110.73 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 64' ' ' PHE . 27.5 m -130.54 130.49 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-O 121.443 0.639 . . . . 65.51 111.535 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -83.23 161.7 21.43 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.85 -0.531 . . . . 74.24 111.653 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -47.22 72.53 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.28 -0.418 . . . . 74.23 111.852 -174.519 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -73.9 -12.5 60.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.437 0.532 . . . . 73.31 112.437 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.03 -29.32 58.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 71.24 110.653 173.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.75 144.48 28.67 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.044 -0.526 . . . . 64.22 111.124 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.31 140.82 72.29 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.6 2.2 . . . . 72.11 112.925 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.04 -25.34 58.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.28 0.562 . . . . 71.42 111.664 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 93' ' ' LYS . 58.9 mttp -58.35 -15.11 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.002 -0.544 . . . . 70.23 112.298 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.59 -46.18 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.877 0.37 . . . . 72.24 111.518 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.65 -54.18 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.146 0.795 . . . . 74.51 113.146 -172.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.36 -19.08 65.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.539 0.57 . . . . 73.31 112.539 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 89' ' ' LYS . 1.5 mptm? -86.06 -55.83 3.75 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.329 -0.232 . . . . 75.01 110.95 175.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 tt 67.8 -22.86 0.12 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.176 0.806 . . . . 64.35 113.176 174.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 128.98 55.44 0.1 Allowed Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.938 -0.476 . . . . 71.12 112.234 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 93' ' ' LYS . 33.8 m -76.4 164.11 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.289 0.566 . . . . 61.34 112.457 -178.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -124.84 31.18 5.72 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.678 0.751 . . . . 64.13 111.474 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.454 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -143.24 146.3 33.52 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.27 -0.423 . . . . 70.43 111.158 175.626 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.55 -74.05 0.58 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.085 0.469 . . . . 73.43 111.657 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -138.67 52.85 1.79 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.336 0.588 . . . . 64.12 110.127 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -75.79 77.48 2.73 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.209 0.528 . . . . 74.2 112.236 -173.021 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -147.12 131.27 17.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.081 -0.509 . . . . 71.24 110.437 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -67.48 134.57 51.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.737 0.643 . . . . 74.02 112.737 -175.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -138.94 31.96 2.2 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.688 -0.687 . . . . 74.33 110.311 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.4 m80 . . . . . 0 C--O 1.252 1.206 0 CA-C-N 115.473 -0.785 . . . . 71.11 111.716 -175.363 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.729 0.3 . . . . 71.5 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.16 93.84 4.77 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.846 0.684 . . . . 74.54 112.846 -170.178 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 pp -80.84 -13.78 58.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.27 0.557 . . . . 52.31 109.924 168.013 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.37 -53.3 58.92 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.369 -0.832 . . . . 74.12 110.822 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -104.82 85.52 2.31 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.511 0.672 . . . . 74.44 111.667 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 19.5 mmt -85.13 175.42 9.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.525 -0.761 . . . . 71.4 110.722 172.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.79 71.74 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.027 -0.606 . . . . 75.42 112.206 -174.282 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -89.16 45.31 1.28 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.217 0.532 . . . . 60.14 110.47 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.65 178.86 1.91 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.752 0.649 . . . . 72.34 112.752 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.1 pm0 -86.56 146.99 26.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.772 0.796 . . . . 73.01 112.887 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.14 151.55 37.36 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.308 -0.86 . . . . 74.22 110.354 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -90.88 106.51 18.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.822 0.344 . . . . 64.3 110.685 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.414 HG12 ' CA ' ' A' ' 41' ' ' GLY . 26.9 m -100.98 147.47 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.146 0.498 . . . . 40.24 112.033 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.99 154.89 26.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.876 -0.602 . . . . 52.03 110.633 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.443 HG13 ' HA ' ' A' ' 61' ' ' LYS . 42.9 mm -69.35 86.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.284 0.564 . . . . 62.34 111.762 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 39' ' ' LEU . 63.7 p -77.88 -45.01 25.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.003 -0.544 . . . . 74.13 111.061 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.06 131.24 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.792 -0.64 . . . . 71.45 110.816 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -122.52 154.35 37.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.32 0.581 . . . . 73.25 112.53 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.47 4.55 31.74 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 115.61 1.004 . . . . 72.22 115.61 169.551 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.94 89.8 2.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.594 1.197 . . . . 72.13 110.113 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 7.8 pt-20 -72.45 150.8 43.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.987 -1.006 . . . . 52.01 113.479 -172.016 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.03 93.17 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.956 -1.02 . . . . 75.13 110.917 173.712 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' HB3' ' HG3' ' A' ' 33' ' ' LYS . 6.1 p-80 -90.59 21.72 3.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.972 -0.455 . . . . 75.31 111.127 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t 61.6 -80.76 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.501 0.721 . . . . 74.2 111.997 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -162.65 20.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 62.13 110.612 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 30' ' ' GLN . . . -78.69 24.01 0.3 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.959 0.726 . . . . 50.12 112.959 -174.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.88 131.36 49.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.868 0.366 . . . . 74.23 111.433 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 64.28 28.33 13.84 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.387 0.613 . . . . 73.13 110.969 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.33 47.27 0.08 OUTLIER Glycine 0 CA--C 1.526 0.739 0 CA-C-N 116.274 -0.421 . . . . 70.05 112.362 176.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.573 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -81.33 92.5 6.4 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.635 0.606 . . . . 74.41 112.635 -173.183 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.8 -2.16 58.16 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.661 0.744 . . . . 71.31 110.049 167.07 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 3.2 p90 -146.97 136.16 22.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 75.13 109.712 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG3' ' HB3' ' A' ' 23' ' ' HIS . 51.4 tttm -167.68 92.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.839 0.352 . . . . 71.54 110.205 -170.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.74 143.42 33.13 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.075 0.398 . . . . 72.52 112.075 -172.727 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 82.9 m-85 -84.6 137.34 33.34 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.865 -0.42 . . . . 64.44 109.865 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -120.78 144.69 48.17 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 75.4 111.437 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 58.8 m-85 -132.31 111.39 11.32 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.081 -0.509 . . . . 74.14 111.276 -174.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -103.12 88.78 3.23 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.054 0.454 . . . . 74.23 109.868 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 25.4 mt -104.36 144.67 31.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.179 -0.464 . . . . 73.22 112.14 -170.16 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.9 m -73.63 117.51 15.49 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.792 0.33 . . . . 53.44 111.147 175.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' CA ' HG12 ' A' ' 13' ' ' VAL . . . -102.16 128.01 9.41 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.296 -0.478 . . . . 51.25 112.579 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 93.3 m-85 -94.61 137.29 33.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.096 0.474 . . . . 73.15 111.597 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' CB ' ' HB2' ' A' ' 47' ' ' LYS . 15.4 t70 -69.18 147.38 51.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.192 -0.458 . . . . 72.41 109.773 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.69 -11.95 49.5 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.524 0.564 . . . . 75.42 112.524 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.49 -49.55 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.772 0.32 . . . . 74.15 110.606 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.31 75.4 0.02 OUTLIER Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.994 -0.622 . . . . 65.54 113.76 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 63.8 mttm -143.61 161.55 38.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.574 0.35 . . . . 65.04 110.559 175.548 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -111.73 124.58 52.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.703 0.287 . . . . 53.01 111.448 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -152.67 120.75 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.962 -0.385 . . . . 73.41 109.962 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.04 130.11 39.17 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.781 0.66 . . . . 72.4 112.781 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.422 HD11 ' ND1' ' A' ' 69' ' ' HIS . 3.9 mm? -110.94 140.74 45.19 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.727 -0.67 . . . . 44.22 109.809 172.483 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -137.76 139.63 40.18 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.032 0.444 . . . . 70.54 112.102 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 52.8 p90 -157.07 161.55 39.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.143 0.497 . . . . 73.22 112.313 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 p -98.38 157.86 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.071 -0.513 . . . . 70.03 111.108 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.42 179.65 6.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.129 0.49 . . . . 62.24 111.987 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -35.44 11.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.074 -0.512 . . . . 75.24 112.023 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -127.16 179.54 5.38 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.009 0.433 . . . . 71.13 111.115 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -77.09 107.78 9.7 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.756 -0.831 . . . . 64.24 108.756 166.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.26 174.41 4.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.097 0.475 . . . . 64.33 112.194 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -64.56 100.08 0.35 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.414 0.626 . . . . 72.52 110.986 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' HG13 ' A' ' 15' ' ' ILE . 31.6 mtmm -69.32 14.53 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.121 1.156 . . . . 62.45 114.121 -169.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -139.38 -7.75 1.32 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.974 -0.454 . . . . 63.25 111.697 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 175.92 9.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 25.43 111.847 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.84 136.3 52.63 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.102 -0.499 . . . . 74.02 110.168 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 4.2 mp -110.41 130.63 55.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.054 0.454 . . . . 74.15 111.652 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -84.74 95.85 9.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.399 -0.593 . . . . 64.51 109.399 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 78' ' ' TRP . 31.3 m -99.48 135.18 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.765 0.654 . . . . 62.25 112.765 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.22 105.88 3.12 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.35 -0.841 . . . . 73.32 110.859 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.422 ' ND1' HD11 ' A' ' 51' ' ' LEU . 11.9 t60 -74.18 96.92 2.84 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.009 0.433 . . . . 61.12 111.429 -173.682 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.533 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 29.2 m -120.23 118.36 30.26 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.466 -0.333 . . . . 55.51 111.146 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -53.71 -62.72 1.47 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.757 0.651 . . . . 42.45 112.757 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 20.78 1.19 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.06 0.763 . . . . 74.41 113.06 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 24.3 tptm -143.23 -8.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.871 0.367 . . . . 53.25 111.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.3 -82.68 0.13 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.854 -0.499 . . . . 65.22 111.854 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 74.2 t -140.11 116.94 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 122.802 0.441 . . . . 72.24 110.412 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.8 t -87.61 -18.3 29.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.637 0.256 . . . . 64.44 111.66 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.14 148.99 15.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.588 -0.278 . . . . 72.22 111.381 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.474 ' HB3' HG12 ' A' ' 67' ' ' VAL . 47.2 p-90 -145.67 140.95 27.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.928 0.394 . . . . 75.35 111.947 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 32.0 mt-10 -120.94 136.48 54.95 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.532 -0.304 . . . . 51.41 110.99 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.51 106.25 18.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.55 -0.295 . . . . 73.03 110.872 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -115.17 163.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.178 0.513 . . . . 64.0 112.191 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -100.55 147.47 25.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.432 -0.349 . . . . 65.44 111.43 -178.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.97 -24.7 55.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.446 0.536 . . . . 75.01 112.446 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.05 -50.71 72.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.268 0.556 . . . . 71.11 111.543 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.88 -2.43 56.44 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.902 -0.59 . . . . 72.22 111.611 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.3 mt -93.28 145.03 29.27 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.476 -0.329 . . . . 74.44 110.901 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 38.1 Cg_exo -61.82 105.62 0.39 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.318 2.012 . . . . 54.42 112.44 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.53 18.45 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.425 -0.352 . . . . 55.0 111.62 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -39.97 -40.19 0.98 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.883 0.873 . . . . 74.43 112.402 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.7 t -57.83 -46.35 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 120.901 0.381 . . . . 75.31 111.718 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -84.18 -32.09 24.77 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.605 -0.271 . . . . 65.34 111.667 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.17 -42.33 80.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.074 0.398 . . . . 72.43 112.074 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -80.3 -29.67 38.2 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.844 0.354 . . . . 72.53 111.771 -176.419 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.5 107.0 1.26 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.011 0.434 . . . . 63.15 111.385 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.75 -0.16 62.75 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 121.157 -0.544 . . . . 63.14 113.337 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.805 HG12 ' H ' ' A' ' 98' ' ' LEU . 41.4 t -125.13 145.48 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 122.401 -0.47 . . . . 72.03 111.147 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HD2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -113.75 18.4 17.46 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.184 0.439 . . . . 74.12 112.184 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.805 ' H ' HG12 ' A' ' 96' ' ' VAL . 5.6 mp -116.23 172.16 7.36 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.078 0.466 . . . . 74.42 110.96 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -103.27 -42.67 5.67 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.352 -0.61 . . . . 72.22 109.352 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -167.33 -76.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.332 -0.849 . . . . 75.1 109.416 171.345 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -159.39 136.22 9.43 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.195 0.598 . . . . 74.44 110.349 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -71.89 87.02 0.99 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.134 0.492 . . . . 72.52 112.031 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -151.07 108.23 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.861 -0.609 . . . . 75.23 111.195 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 68.1 140.84 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.162 0.506 . . . . 63.3 112.058 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.602 -0.714 . . . . 61.44 110.921 174.393 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.57 0.224 . . . . 64.52 110.784 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.0 137.02 50.58 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.526 0.203 . . . . 71.03 111.315 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 4' ' ' ASN . 3.6 pp -64.89 -26.85 68.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.114 0.783 . . . . 64.03 113.114 -175.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ASN . . . . . 0.536 ' N ' HD12 ' A' ' 3' ' ' LEU . 21.4 m120 -70.78 -11.61 61.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.986 -0.446 . . . . 71.21 111.724 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -79.36 -27.94 41.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.019 0.437 . . . . 63.11 110.976 173.245 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt -90.42 93.52 9.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.744 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.0 71.69 0.36 Allowed Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.715 -0.755 . . . . 74.41 112.994 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -73.44 0.2 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 109.889 -0.411 . . . . 74.3 109.889 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ASP . . . . . 0.751 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 19.5 m-20 -138.27 113.15 9.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.757 -0.201 . . . . 73.11 110.556 173.72 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.03 111.95 24.67 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.312 0.577 . . . . 61.11 110.991 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.55 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.25 -0.432 . . . . 72.45 111.392 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -95.06 100.41 12.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.986 0.422 . . . . 74.44 111.021 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.55 148.67 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.429 -0.35 . . . . 64.25 111.231 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 29.4 pt20 -105.63 175.38 5.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.177 0.513 . . . . 54.23 111.617 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.416 HG21 ' O ' ' A' ' 60' ' ' ARG . 48.3 mm -79.5 105.19 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.007 -0.542 . . . . 71.32 111.835 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.1 p -96.93 -69.21 0.77 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.46 -0.337 . . . . 75.44 111.199 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -103.29 128.45 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.017 0.436 . . . . 71.34 111.422 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.58 167.57 16.18 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.094 0.473 . . . . 60.21 111.94 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.19 8.0 64.39 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 114.788 0.675 . . . . 64.2 114.788 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.18 90.42 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.528 0.664 . . . . 71.41 110.499 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.742 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 12.6 pt-20 -80.27 121.51 25.73 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.509 0.671 . . . . 73.55 111.673 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' VAL . 16.6 m -108.54 89.3 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.658 0.742 . . . . 65.25 111.45 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -72.63 77.38 1.09 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.041 -0.527 . . . . 71.14 110.908 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -164.39 42.7 0.09 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.355 0.598 . . . . 70.22 110.171 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -164.56 58.83 0.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.974 -0.557 . . . . 52.23 111.545 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 32' ' ' TYR . . . -169.21 -111.46 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.216 1.191 . . . . 72.15 114.216 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.21 -179.29 4.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.597 0.962 . . . . 72.11 113.597 -164.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.53 -11.61 59.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.147 -0.933 . . . . 71.34 112.752 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.0 -41.52 0.02 OUTLIER Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.305 -0.95 . . . . 70.53 113.731 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -58.09 121.22 10.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.215 0.531 . . . . 75.42 110.858 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.74 91.6 5.93 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.917 0.71 . . . . 75.11 112.917 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.492 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 87.4 m-85 -96.61 135.68 38.19 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.817 169.392 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.14 108.41 6.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.767 0.318 . . . . 73.25 111.548 174.382 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.561 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 4.4 m-20 -85.49 146.98 26.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.515 -0.311 . . . . 72.25 110.516 175.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.13 117.62 29.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.948 0.404 . . . . 74.11 110.903 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' HG22 ' A' ' 54' ' ' THR . 42.8 tt0 -84.57 105.15 15.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.375 0.509 . . . . 74.21 112.375 -172.763 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' HB3' HD21 ' A' ' 39' ' ' LEU . 95.8 m-85 -96.12 92.73 6.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.492 172.574 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 16.4 ttpt -99.15 106.82 19.05 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 122.269 -0.269 . . . . 64.04 110.539 176.645 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 39' ' ' LEU . 1.4 mm? -114.43 135.85 53.65 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.964 0.411 . . . . 60.34 111.552 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -75.87 98.87 4.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.031 0.443 . . . . 74.44 110.019 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.38 130.95 19.15 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 116.135 -0.484 . . . . 64.13 112.951 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -96.99 132.44 42.8 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.866 0.365 . . . . 74.11 111.44 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.79 158.85 31.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.315 -0.402 . . . . 62.31 112.064 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -50.71 -39.86 52.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.313 0.645 . . . . 74.4 112.208 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.67 -56.83 12.7 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.14 0.495 . . . . 72.4 111.063 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.22 48.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.488 -0.778 . . . . 61.25 111.472 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -112.86 -179.35 3.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.684 0.393 . . . . 74.52 111.154 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.88 138.92 53.12 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.912 0.387 . . . . 75.42 111.2 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -144.31 141.53 29.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.229 -0.294 . . . . 61.11 110.409 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.78 114.78 26.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 122.031 -0.418 . . . . 73.43 111.895 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.75 146.84 46.65 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 120.712 0.291 . . . . 71.25 110.977 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -147.46 124.91 11.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.83 0.307 . . . . 73.5 111.83 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.41 127.69 33.92 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.186 0.517 . . . . 72.2 111.21 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' THR . . . . . 0.561 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 25.5 p -96.57 112.75 24.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.065 0.46 . . . . 74.02 112.006 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.97 150.93 20.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.972 0.415 . . . . 65.34 111.952 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -77.79 -16.7 58.18 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.594 0.59 . . . . 60.24 112.594 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -139.61 160.64 39.39 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.769 0.318 . . . . 71.12 111.317 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.23 119.04 10.16 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.574 -0.528 . . . . 74.12 109.574 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.459 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 84.2 mt -80.52 -89.17 0.07 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.282 0.845 . . . . 72.34 113.282 -170.184 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' HD2' ' C ' ' A' ' 59' ' ' LEU . 11.0 mpt_? -125.32 -163.9 1.24 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.78 0.324 . . . . 71.25 111.444 -172.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -129.05 -77.02 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.015 0.436 . . . . 74.5 111.08 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -87.54 -18.38 29.9 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.825 0.345 . . . . 74.51 111.554 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.61 49.28 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.105 0.479 . . . . 70.11 112.224 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 83' ' ' LYS . 10.8 m-85 -98.23 160.45 14.28 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.793 0.806 . . . . 64.52 111.839 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 80' ' ' GLU . 29.1 mt -131.44 135.55 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.366 -0.833 . . . . 72.51 110.899 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 35.8 mtp-105 -80.74 90.46 5.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.33 -0.395 . . . . 63.44 110.264 175.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.9 t -86.23 126.6 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.489 0.662 . . . . 72.31 111.915 -176.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 32.3 t80 -89.41 128.13 35.9 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.376 -0.829 . . . . 63.11 112.139 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' HIS . . . . . 0.751 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 25.3 t-80 -92.1 129.98 37.93 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.312 0.486 . . . . 73.55 112.312 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -140.41 168.92 18.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.148 -0.478 . . . . 65.35 110.98 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.9 -68.05 0.61 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.15 0.426 . . . . 75.33 112.15 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -87.48 -4.05 59.0 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.333 0.864 . . . . 54.3 113.333 -170.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -113.29 -24.99 9.06 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.277 -0.264 . . . . 74.04 111.677 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.21 -64.93 2.74 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.545 -0.836 . . . . 31.0 111.681 -172.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 90.1 t -124.56 119.74 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.935 0.397 . . . . 70.14 111.017 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -92.95 -26.18 17.68 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.834 0.309 . . . . 75.21 111.834 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -171.47 166.34 6.88 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.808 0.337 . . . . 71.21 111.864 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 39.9 p-90 -152.05 134.14 15.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.248 -0.433 . . . . 72.2 111.109 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -121.22 144.95 48.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.218 0.532 . . . . 72.3 111.696 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.535 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.3 tt0 -76.11 127.25 32.54 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.709 -0.678 . . . . 73.34 112.273 -174.626 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.12 151.28 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-O 121.397 0.618 . . . . 73.42 112.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.7 mtpp -84.73 148.52 26.32 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.965 -0.561 . . . . 40.3 110.708 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -83.18 3.94 28.77 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.069 0.461 . . . . 64.42 111.628 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -107.67 -10.53 15.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.81 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.8 pt-20 -97.27 -10.52 25.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.007 0.432 . . . . 64.42 111.275 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.81 158.67 72.69 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.605 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -49.41 143.72 19.87 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.914 2.41 . . . . 70.31 113.593 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -29.07 22.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.108 0.781 . . . . 74.44 113.108 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' LYS . . . . . 0.53 ' HA ' ' HB3' ' A' ' 92' ' ' GLU . 4.4 mptp? -62.64 -22.47 66.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.571 0.582 . . . . 72.53 112.571 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.12 -52.5 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.31 110.539 175.053 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.75 -23.62 63.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.242 -0.435 . . . . 63.45 111.176 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.53 ' HB3' ' HA ' ' A' ' 89' ' ' LYS . 44.8 tt0 -72.63 -33.69 66.81 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.1 -0.5 . . . . 73.52 111.785 -178.721 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -110.16 -56.54 2.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.49 0.552 . . . . 65.33 112.49 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 109.25 6.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.191 0.519 . . . . 65.12 111.93 -170.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.48 51.36 12.66 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 115.793 -0.64 . . . . 75.14 114.465 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -65.97 138.93 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 117.206 0.503 . . . . 75.42 110.621 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.67 -51.94 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.079 0.466 . . . . 72.1 111.896 -172.309 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 74.8 mt -110.82 104.79 13.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.316 -0.402 . . . . 70.44 110.843 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.14 -69.78 0.23 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.035 0.754 . . . . 63.43 113.035 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.38 81.72 0.19 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.074 0.464 . . . . 74.54 111.609 -172.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -84.83 105.87 15.94 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.369 0.604 . . . . 65.32 111.375 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -146.93 139.46 24.9 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.308 -0.405 . . . . 73.52 110.753 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -134.21 146.38 50.06 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.964 0.412 . . . . 74.14 111.752 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 t60 61.5 -88.64 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.752 -0.658 . . . . 52.04 112.345 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.765 -0.636 . . . . 75.3 111.189 -177.324 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 112.269 0.47 . . . . 53.2 112.269 . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.85 83.45 1.67 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.801 -0.562 . . . . 74.45 110.646 174.543 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LEU . . . . . 0.48 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.5 pt? -64.45 -22.59 67.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.137 0.792 . . . . 52.42 113.137 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 4.7 m-20 -84.46 -11.45 56.15 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.061 -0.4 . . . . 72.21 111.664 177.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -107.22 -58.04 2.0 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.632 0.253 . . . . 51.55 111.658 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.6 mtt 64.01 175.42 0.18 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.417 0.627 . . . . 73.34 112.413 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.19 116.73 1.01 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.213 -0.518 . . . . 71.13 112.79 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -106.77 124.47 49.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.409 -0.465 . . . . 73.12 111.049 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -112.38 149.21 32.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.804 0.335 . . . . 70.11 111.861 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' HE ' ' A' ' 66' ' ' ARG . 1.9 pm0 -114.75 132.98 56.27 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.922 0.392 . . . . 64.12 110.673 170.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.09 126.32 51.95 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.269 -0.269 . . . . 75.52 110.961 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.08 99.86 12.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.013 0.435 . . . . 74.2 110.491 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.5 150.07 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.23 -0.441 . . . . 60.32 111.674 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 28.3 pt20 -97.57 134.79 40.31 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.036 0.446 . . . . 62.4 111.215 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 47.3 mm -70.62 97.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.207 0.527 . . . . 74.34 112.086 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -82.34 -44.94 15.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.059 -0.519 . . . . 75.32 111.461 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.67 139.77 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.254 -0.43 . . . . 61.11 111.586 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -131.41 161.99 31.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.805 0.336 . . . . 65.41 111.591 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.97 9.69 22.41 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 114.696 0.639 . . . . 51.14 114.696 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 64.9 tttm -78.78 138.67 38.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.445 0.623 . . . . 63.53 109.998 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -127.63 158.91 36.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.313 0.578 . . . . 74.53 112.016 -173.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.68 57.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.286 0.565 . . . . 73.12 110.496 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -55.77 -33.95 64.81 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.768 0.795 . . . . 65.04 111.075 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -149.0 10.69 0.8 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.577 -1.192 . . . . 62.12 110.428 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -99.38 3.63 45.99 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.942 -0.572 . . . . 73.23 111.812 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.0 -87.53 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.518 -0.31 . . . . 71.52 111.829 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -175.63 85.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.735 0.302 . . . . 73.24 110.893 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 46.53 27.96 0.7 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.422 0.897 . . . . 73.43 113.422 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 60.06 0.31 Allowed Glycine 0 CA--C 1.522 0.493 0 C-N-CA 121.242 -0.504 . . . . 73.12 112.666 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -68.47 86.2 0.29 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.712 0.768 . . . . 74.03 112.04 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 31' ' ' LYS . 3.8 tmmm? -120.52 -14.14 8.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.834 0.826 . . . . 52.3 109.922 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -130.32 108.18 9.81 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.022 -0.99 . . . . 75.11 111.377 -172.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 10.0 mtmp? -88.15 69.19 9.22 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 73.22 110.988 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -86.59 166.9 15.04 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.934 0.397 . . . . 70.03 110.878 175.73 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -86.8 156.39 19.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.26 0.552 . . . . 62.41 112.126 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -154.32 138.8 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.918 -173.791 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -129.76 102.06 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.366 -0.379 . . . . 63.33 110.796 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 22.7 ttpp -94.19 120.22 34.13 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.799 0.333 . . . . 73.15 111.034 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.41 161.6 40.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.498 0.665 . . . . 62.41 112.221 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 37.1 m -84.07 109.82 17.98 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.991 -0.55 . . . . 73.34 112.057 -178.161 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 154.71 36.66 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.276 -0.488 . . . . 41.54 112.679 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.89 126.52 48.87 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.016 0.436 . . . . 75.02 111.594 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 14.6 t70 -71.5 154.72 41.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.955 -0.566 . . . . 73.24 111.121 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 20.1 ptmt -56.79 -27.28 59.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.092 0.775 . . . . 70.15 113.092 -176.027 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.4 0.68 55.12 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.048 0.451 . . . . 72.05 111.76 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.63 46.59 3.96 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.299 -0.477 . . . . 63.33 112.58 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.679 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 92.2 mttt -121.15 -179.6 4.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.501 0.32 . . . . 52.32 110.909 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.38 160.96 15.74 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.099 0.777 . . . . 73.33 113.099 -174.518 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 22.7 tptt -170.11 93.55 0.23 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.889 -0.596 . . . . 74.44 110.882 167.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 2.3 tm-20 -80.2 107.03 12.66 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.168 -0.469 . . . . 42.04 110.628 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 pp -138.6 175.22 9.75 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.504 0.557 . . . . 55.01 112.504 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' HB3' ' HG3' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -132.56 157.9 43.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.904 0.383 . . . . 53.35 111.831 -179.147 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' HD13 ' A' ' 65' ' ' LEU . 52.6 p90 -140.68 151.33 44.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 62.23 110.808 173.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.2 p -108.71 140.26 42.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.402 0.519 . . . . 72.42 112.402 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.8 167.38 16.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.831 -0.622 . . . . 64.43 110.857 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -85.34 -47.94 9.53 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.162 0.506 . . . . 75.25 111.062 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -126.57 163.77 22.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.022 -0.535 . . . . 74.33 110.753 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.46 118.9 8.16 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.347 -0.388 . . . . 72.32 110.897 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -90.12 -172.3 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.171 0.51 . . . . 74.03 112.186 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.74 111.75 20.42 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.086 0.469 . . . . 70.41 112.168 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 21.4 ptmt -76.65 162.84 27.41 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.172 0.511 . . . . 55.41 112.122 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 64.29 7.99 3.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.729 0.776 . . . . 72.54 111.485 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.75 150.93 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 71.0 109.935 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 38.0 m-85 -82.39 156.54 24.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 74.03 110.425 176.468 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 78' ' ' TRP . 1.5 tt -145.68 126.82 14.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.331 0.586 . . . . 62.3 111.232 -173.211 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HE ' ' HG3' ' A' ' 10' ' ' GLU . 63.5 ttt180 -81.35 92.42 6.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.426 -0.807 . . . . 73.41 110.794 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.23 137.9 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.708 0.766 . . . . 72.54 112.275 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.79 130.6 37.54 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.857 -1.065 . . . . 65.42 112.189 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -74.96 103.96 5.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.953 0.406 . . . . 72.43 111.605 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -100.9 149.37 23.95 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.452 -0.34 . . . . 71.31 111.653 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.33 -41.85 98.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.119 -0.491 . . . . 75.11 111.734 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -83.02 -0.08 47.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.371 -0.377 . . . . 74.32 111.759 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER 63.78 -161.78 0.28 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.667 0.387 . . . . 73.1 110.129 -167.698 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.6 -17.63 5.3 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 120.589 -0.815 . . . . 61.24 113.499 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t 64.07 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.495 0.664 . . . . 74.04 112.577 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -74.67 -11.38 60.17 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.701 0.63 . . . . 73.1 112.701 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -159.11 136.24 9.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.79 0.328 . . . . 72.52 111.573 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' TRP . . . . . 0.435 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 64.1 p-90 -147.89 137.39 22.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.001 0.429 . . . . 73.13 111.781 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -123.34 138.27 54.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.362 -0.381 . . . . 72.43 111.255 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -83.92 128.89 34.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.525 -0.307 . . . . 72.3 110.648 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.52 146.02 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.592 0.71 . . . . 62.51 112.238 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.043 -0.526 . . . . 73.5 110.804 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.01 -33.31 75.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.381 0.61 . . . . 62.35 109.978 172.378 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.83 -21.65 64.82 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.675 -0.693 . . . . 73.51 111.759 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -85.68 -0.4 55.05 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.913 0.338 . . . . 65.41 111.913 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.32 123.52 52.39 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.099 0.407 . . . . 63.02 112.099 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 156.3 21.17 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.262 1.974 . . . . 54.42 112.271 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.41 28.41 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.977 0.417 . . . . 42.23 111.733 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.32 -24.64 29.96 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.549 0.574 . . . . 74.32 112.549 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.51 -42.86 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.38 0.61 . . . . 62.22 110.688 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -79.65 -16.21 56.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.13 -0.486 . . . . 70.14 111.737 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.479 ' C ' ' HD2' ' A' ' 93' ' ' LYS . 86.2 mt-10 -60.54 -20.16 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.995 0.426 . . . . 72.45 111.012 171.404 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 10.0 mptt -109.98 -45.59 3.6 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.787 -0.642 . . . . 61.34 110.584 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 94' ' ' LEU . 6.6 mp -96.34 90.78 5.56 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.405 -0.362 . . . . 73.02 111.257 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.61 -45.84 1.16 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.147 -0.549 . . . . 74.15 113.322 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.593 HG12 ' H ' ' A' ' 98' ' ' LEU . 26.2 t -113.95 152.56 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 122.505 0.322 . . . . 75.52 110.836 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -123.22 -3.29 8.49 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.094 0.405 . . . . 74.43 112.094 175.55 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.593 ' H ' HG12 ' A' ' 96' ' ' VAL . 5.3 mp 58.41 101.19 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.122 0.487 . . . . 53.41 111.316 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -116.49 -42.52 3.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.193 0.442 . . . . 61.35 112.193 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.64 126.45 39.94 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.765 0.317 . . . . 71.45 110.926 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -158.46 129.33 6.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.478 -0.328 . . . . 70.42 111.813 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -118.29 175.49 5.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.999 0.428 . . . . 51.32 111.024 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -99.89 169.31 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.902 0.382 . . . . 53.4 111.495 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.78 114.33 22.64 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.946 0.403 . . . . 62.03 110.849 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.577 -0.725 . . . . 64.54 111.291 -179.457 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt . . . . . 0 CA--C 1.536 0.437 0 CA-C-O 120.931 0.396 . . . . 73.11 111.854 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.891 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 12.2 m-20 -83.73 153.94 23.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.5 -0.318 . . . . 74.41 110.995 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HG2' ' HE2' ' A' ' 44' ' ' LYS . 13.6 pt-20 -137.91 123.17 19.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.209 0.528 . . . . 62.44 110.399 171.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 43' ' ' ASP . 90.0 m-85 -102.95 121.01 41.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 74.52 111.27 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -80.39 100.55 8.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.26 -0.427 . . . . 64.01 110.64 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.602 HG12 ' HA2' ' A' ' 41' ' ' GLY . 5.2 m -105.85 165.34 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.224 0.535 . . . . 73.11 111.415 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.24 115.97 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.564 -0.532 . . . . 71.31 109.564 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -65.09 93.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.281 0.562 . . . . 63.53 112.13 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.4 p -98.56 -37.19 9.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.572 -0.74 . . . . 55.01 111.233 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.2 m -89.61 119.5 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.194 0.521 . . . . 74.54 111.252 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -131.67 160.83 34.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.397 0.517 . . . . 75.51 112.397 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.69 9.85 70.55 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 116.097 1.199 . . . . 75.33 116.097 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 91.4 mttt -71.75 86.56 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.144 0.972 . . . . 74.13 112.013 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.98 109.2 16.87 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.102 0.477 . . . . 73.3 111.035 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 22' ' ' VAL . 19.9 m -88.89 86.99 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 122.094 0.95 . . . . 72.2 111.323 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 . . . . . 0 N--CA 1.473 0.698 0 CA-C-N 115.54 -0.754 . . . . 72.14 111.865 -178.475 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 54.4 p90 . . . . . 0 N--CA 1.472 0.645 0 CA-C-O 121.051 0.453 . . . . 71.23 111.181 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -135.59 131.5 35.96 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.322 -0.399 . . . . 74.05 111.896 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.65 159.86 19.72 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.076 -0.342 . . . . 61.15 110.076 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 96.2 m-85 -108.18 139.61 42.6 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.203 -0.311 . . . . 72.3 111.37 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -102.56 125.28 49.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.848 0.356 . . . . 73.43 111.625 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.46 89.31 3.07 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.399 -0.364 . . . . 75.22 110.88 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.05 121.56 42.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.422 -0.354 . . . . 74.12 110.658 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.74 176.54 12.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.477 0.547 . . . . 73.13 112.477 -172.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.6 m -93.91 117.85 30.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 63.12 111.155 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -98.27 133.84 11.48 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.212 -0.518 . . . . 45.14 113.13 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.96 116.54 32.74 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.78 0.324 . . . . 63.22 111.181 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -82.19 -179.86 7.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.691 0.626 . . . . 72.02 112.691 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' A' ' 10' ' ' GLU . 68.6 mttm -66.04 -33.39 75.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.828 -0.624 . . . . 64.1 111.91 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.6 -50.57 62.6 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.333 0.587 . . . . 72.05 110.567 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.84 41.01 0.47 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.809 -0.632 . . . . 65.02 112.764 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -106.28 -179.28 3.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.907 0.384 . . . . 61.32 110.804 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -119.04 107.61 13.72 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.112 0.482 . . . . 73.5 110.961 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -98.34 135.76 39.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.311 -0.404 . . . . 70.25 110.984 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -95.11 117.64 30.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.37 -0.234 . . . . 74.24 110.37 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.2 pt? -141.5 140.59 33.54 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.214 0.53 . . . . 75.11 111.806 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.36 110.35 13.26 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.929 -0.578 . . . . 72.14 110.255 174.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -109.19 135.26 50.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.141 0.496 . . . . 71.15 110.959 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 34.5 p -99.25 131.11 45.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.993 -0.548 . . . . 74.44 111.032 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.78 47.7 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.265 -0.425 . . . . 72.51 111.502 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -35.81 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.071 0.462 . . . . 73.23 110.707 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 57' ' ' LYS . 47.6 mtpt -110.28 160.83 16.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.387 -0.37 . . . . 50.01 111.371 177.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -85.21 123.26 30.5 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.559 -0.534 . . . . 64.42 109.559 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.08 -174.52 3.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.981 0.734 . . . . 71.03 112.981 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -75.19 111.52 10.53 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.365 0.602 . . . . 73.11 112.51 -174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -78.81 157.4 28.41 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.661 -0.7 . . . . 72.34 111.518 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.417 ' O ' ' HG2' ' A' ' 62' ' ' GLU . 43.2 tt0 68.56 2.52 3.42 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.036 0.535 . . . . 72.34 112.066 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.63 163.58 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.93 -0.482 . . . . 73.22 111.936 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.32 109.88 22.31 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 61.4 109.862 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 78' ' ' TRP . 2.7 tt -102.26 123.21 45.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.002 0.43 . . . . 73.14 111.086 -171.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -87.98 105.43 17.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.403 -0.362 . . . . 72.25 110.658 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.71 121.97 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.111 0.412 . . . . 45.54 112.111 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.48 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -72.84 149.47 43.54 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.832 0.349 . . . . 71.2 111.135 176.393 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.891 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 53.4 t-80 -142.26 135.87 29.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.246 0.546 . . . . 55.35 112.192 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -144.75 147.11 32.56 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.954 -0.566 . . . . 64.53 110.082 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.18 -38.09 76.02 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.658 0.985 . . . . 74.32 113.658 -172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -74.82 -13.01 60.52 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.414 1.264 . . . . 73.44 114.414 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -151.2 2.82 0.43 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.412 -0.805 . . . . 73.15 112.907 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 71.71 -82.15 0.5 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.973 -0.632 . . . . 52.31 113.387 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.12 147.07 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 120.934 0.397 . . . . 43.53 111.769 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.436 ' HB2' ' HE2' ' A' ' 68' ' ' TYR . 48.9 m -151.43 -60.45 0.17 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.131 0.491 . . . . 73.1 111.327 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 68' ' ' TYR . . . -101.57 145.51 28.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.962 0.41 . . . . 64.05 111.819 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.545 ' HB2' HD21 ' A' ' 65' ' ' LEU . 40.0 p-90 -160.85 151.46 18.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.322 -0.399 . . . . 73.04 111.55 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -132.44 147.85 52.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.506 0.67 . . . . 72.04 112.443 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -96.27 119.56 34.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.443 -0.799 . . . . 74.13 111.394 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.86 177.28 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.442 0.639 . . . . 72.42 111.926 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -118.67 162.79 17.82 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.006 -0.543 . . . . 75.2 110.514 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.91 62.55 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.834 0.35 . . . . 71.11 111.892 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.6 -33.74 64.73 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.01 0.433 . . . . 72.03 111.208 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.21 -26.34 39.2 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.116 -0.493 . . . . 64.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.35 154.73 86.04 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.537 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.28 140.41 88.38 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.386 2.057 . . . . 74.33 112.469 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.26 46.67 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.926 0.393 . . . . 73.0 111.654 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.37 -29.93 59.39 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.158 -0.474 . . . . 70.34 111.814 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.28 -38.13 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.051 0.453 . . . . 74.43 110.792 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.2 tttt . . . . . 0 CA--C 1.539 0.524 0 CA-C-N 116.001 -0.545 . . . . 73.4 110.741 176.369 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 15.9 tptm . . . . . 0 CA--C 1.551 0.993 0 N-CA-C 110.576 -0.157 . . . . 73.35 110.576 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.55 106.46 3.47 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.873 -0.517 . . . . 73.2 111.343 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 118.79 36.19 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.455 0.645 . . . . 55.45 110.652 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -93.48 139.62 30.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.0 -0.546 . . . . 71.25 111.315 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.04 100.21 12.68 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.773 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.92 162.31 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.953 0.406 . . . . 62.45 111.354 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -133.7 143.14 48.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.514 -0.312 . . . . 71.54 110.457 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 39' ' ' LEU . 40.2 mm -69.72 92.96 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 121.206 0.527 . . . . 70.02 112.05 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 p -86.82 -65.47 1.01 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.331 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -95.76 109.39 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 121.291 0.567 . . . . 60.41 111.819 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.89 -178.75 3.44 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.256 0.55 . . . . 73.11 111.971 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.9 7.94 63.11 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 121.158 -0.544 . . . . 61.4 114.016 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 65.1 mttm -80.04 155.39 27.61 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.99 0.395 . . . . 51.23 110.983 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.13 147.45 36.72 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.969 0.414 . . . . 54.42 111.842 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.9 m -92.35 81.49 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 122.041 0.924 . . . . 71.43 110.594 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t60 . . . . . 0 C--N 1.327 -0.411 0 CA-C-N 115.524 -0.762 . . . . 63.11 111.621 -175.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 . . . . . 0 CA--C 1.536 0.431 0 CA-C-O 120.839 0.352 . . . . 75.21 111.04 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -142.96 113.81 7.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.507 -0.315 . . . . 74.33 110.864 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 22' ' ' VAL . 26.2 m-20 -86.37 149.19 25.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.888 0.375 . . . . 73.3 110.582 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.27 154.02 33.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.357 0.599 . . . . 71.14 111.992 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 37.4 tt0 -119.89 131.97 55.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.747 -0.661 . . . . 75.12 111.21 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HE2' ' HB3' ' A' ' 55' ' ' ALA . 97.5 m-85 -123.28 103.91 8.81 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.826 0.346 . . . . 70.22 111.073 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -95.25 87.19 4.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.124 0.488 . . . . 53.0 110.443 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 15' ' ' ILE . 35.4 mt -106.06 162.03 13.97 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.183 0.516 . . . . 73.31 112.176 -173.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -109.67 117.4 33.81 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.323 -0.399 . . . . 74.14 111.024 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.92 130.3 10.19 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.34 -0.457 . . . . 61.21 112.851 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -90.68 132.32 35.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.172 0.51 . . . . 64.31 111.689 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.536 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 30.2 t70 -77.71 168.15 20.42 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.849 -0.614 . . . . 75.54 111.842 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.31 -30.01 68.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.077 -0.511 . . . . 70.45 112.363 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.43 -8.65 50.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.246 0.546 . . . . 72.3 110.888 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.39 25.1 8.42 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.152 -0.476 . . . . 41.42 113.681 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.536 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 66.8 mmtt -89.5 173.43 8.34 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.182 -0.599 . . . . 73.21 111.485 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -108.93 129.98 55.44 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.309 0.485 . . . . 71.13 112.309 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.25 140.53 47.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.303 -0.408 . . . . 75.42 110.396 172.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.23 113.47 20.07 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.032 0.444 . . . . 73.34 111.803 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.587 HD12 HG11 ' A' ' 67' ' ' VAL . 4.1 mm? -99.55 82.8 2.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.492 0.663 . . . . 50.45 110.203 173.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.43 99.27 9.1 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.736 -0.666 . . . . 54.12 110.477 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -128.25 173.03 10.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.496 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.5 p -121.72 158.37 28.9 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.306 0.575 . . . . 75.22 112.305 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB3' ' HE2' ' A' ' 37' ' ' TYR . . . -147.37 137.47 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 74.55 110.005 176.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.16 -34.58 77.86 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.193 -0.317 . . . . 71.23 111.841 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -129.0 153.6 47.42 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.934 0.397 . . . . 72.4 111.36 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.71 133.14 48.78 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.248 -0.433 . . . . 61.43 111.372 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 pp -105.15 -165.24 1.11 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.262 -0.426 . . . . 74.41 112.05 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -61.42 115.84 4.2 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.854 0.359 . . . . 74.34 111.775 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 48.0 mtpt -69.98 -50.39 42.19 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.442 0.534 . . . . 71.34 112.442 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.42 21.07 7.51 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.401 0.519 . . . . 63.31 112.401 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.15 179.76 4.17 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.864 0.364 . . . . 75.03 111.393 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.553 ' HB2' HG23 ' A' ' 81' ' ' VAL . 69.7 m-85 -113.38 161.93 16.7 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.411 -0.359 . . . . 75.32 110.779 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 80' ' ' GLU . 87.6 mt -130.75 123.79 29.99 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.886 0.374 . . . . 75.4 111.859 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -81.99 91.39 6.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.843 0.354 . . . . 70.04 110.366 171.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.587 HG11 HD12 ' A' ' 51' ' ' LEU . 60.0 t -85.12 129.21 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.031 0.443 . . . . 72.32 111.327 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.497 ' HD2' ' H ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -69.18 137.63 53.44 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.181 0.515 . . . . 72.31 111.656 177.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.73 147.57 37.61 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.02 -0.537 . . . . 74.01 110.722 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 m -146.45 -169.11 3.19 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.786 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.38 -34.05 64.0 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.162 0.506 . . . . 71.14 111.119 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -69.17 -14.8 63.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.855 0.687 . . . . 64.03 112.855 178.64 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.6 ttmt 67.28 -72.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.148 -0.686 . . . . 72.24 109.148 -164.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.63 -79.76 0.01 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.665 1.026 . . . . 43.4 115.665 168.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.7 t 68.22 102.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.0 0.52 . . . . 71.02 110.985 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.497 ' H ' ' HD2' ' A' ' 68' ' ' TYR . 93.0 p -123.57 -42.08 2.23 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.198 0.444 . . . . 74.41 112.198 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -129.6 148.22 51.47 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.548 0.573 . . . . 54.03 112.548 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -147.93 152.35 37.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.867 -0.606 . . . . 73.01 111.496 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -126.78 149.57 49.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.888 0.375 . . . . 73.11 111.608 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.503 ' HA ' HD23 ' A' ' 65' ' ' LEU . 52.0 mt-10 -85.02 108.31 17.56 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.949 -0.569 . . . . 71.43 111.254 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.553 HG23 ' HB2' ' A' ' 64' ' ' PHE . 35.4 m -112.18 171.83 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 121.113 0.482 . . . . 63.24 111.578 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -118.2 167.09 11.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.391 0.615 . . . . 74.23 112.589 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -60.7 -14.6 21.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.722 -0.672 . . . . 74.5 112.47 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.46 -37.71 78.86 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.303 0.483 . . . . 70.31 112.303 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.46 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 10.4 pt-20 -93.41 3.69 55.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.829 0.347 . . . . 63.41 111.687 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.534 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 80.2 mt -136.51 52.96 6.74 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-N 116.399 -0.364 . . . . 64.33 111.79 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.534 ' HD3' ' N ' ' A' ' 86' ' ' LEU . 8.6 Cg_exo -72.08 172.17 15.27 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.309 2.006 . . . . 72.22 113.243 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.56 -37.21 62.68 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.476 0.547 . . . . 44.34 112.476 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.434 ' HE2' ' HG2' ' A' ' 87' ' ' PRO . 61.2 pttt -58.12 -24.41 58.66 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.261 0.467 . . . . 60.02 112.261 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 87.7 t -77.97 -56.07 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.96 0.41 . . . . 73.11 110.988 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt . . . . . 0 N--CA 1.472 0.671 0 CA-C-N 116.271 -0.422 . . . . 60.45 111.566 178.391 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 mptt . . . . . 0 N--CA 1.479 0.98 0 CA-C-O 121.531 0.681 . . . . 72.03 112.657 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.632 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 71.4 m-20 -108.48 133.87 52.04 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.166 0.508 . . . . 74.04 110.861 173.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -126.12 102.34 7.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.586 0.708 . . . . 75.12 111.098 -174.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 90.9 m-85 -92.46 104.18 16.52 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.927 -0.483 . . . . 73.23 110.548 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -87.11 101.6 13.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.11 0.481 . . . . 71.24 111.028 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.403 ' CG1' ' HA2' ' A' ' 41' ' ' GLY . 36.0 m -123.85 173.86 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 74.32 111.912 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -122.22 170.08 10.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.931 0.396 . . . . 74.01 110.714 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -70.55 90.89 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.132 0.491 . . . . 72.44 112.035 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -80.41 -67.3 0.78 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.266 -0.424 . . . . 43.22 110.9 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.17 119.72 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.191 0.519 . . . . 74.22 111.288 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -130.39 160.69 33.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.111 0.482 . . . . 71.01 111.882 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.45 68.09 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 114.581 0.593 . . . . 44.15 114.581 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 36' ' ' GLU . 66.0 tttm -70.28 91.29 0.73 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 117.697 0.749 . . . . 63.44 110.431 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -79.29 96.48 5.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.949 -0.569 . . . . 65.32 111.501 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 34' ' ' ASP . 17.1 m -75.08 78.95 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.274 1.035 . . . . 74.43 110.801 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 68.6 t60 . . . . . 0 CA--C 1.541 0.619 0 CA-C-N 114.886 -1.052 . . . . 70.52 111.169 -178.902 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.6 p90 . . . . . 0 CA--C 1.537 0.459 0 CA-C-O 121.19 0.519 . . . . 73.05 111.651 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.76 152.76 45.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.874 -0.603 . . . . 74.22 111.646 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' HG23 ' A' ' 22' ' ' VAL . 8.7 m-20 -131.3 150.97 51.93 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.905 -0.589 . . . . 74.44 110.12 173.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.28 129.68 52.1 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.617 0.246 . . . . 75.11 111.381 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HB3' ' HD3' ' A' ' 20' ' ' LYS . 42.0 tt0 -100.56 127.42 46.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.88 0.372 . . . . 74.31 111.343 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.8 94.5 4.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 72.05 111.287 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 87.9 tttt -94.82 93.01 7.23 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.231 0.538 . . . . 74.14 109.809 173.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -104.55 146.7 28.52 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 73.34 111.62 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 84.9 m -82.65 99.61 9.69 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.997 0.427 . . . . 74.44 111.618 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 13' ' ' VAL . . . -88.25 130.47 10.13 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 116.239 -0.437 . . . . 54.24 113.085 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -90.36 117.42 29.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.325 0.583 . . . . 65.33 111.352 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.38 164.87 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.665 -0.698 . . . . 41.33 111.84 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.632 ' NZ ' ' HA ' ' A' ' 9' ' ' ASP . 63.1 mttp -55.93 -34.31 65.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.144 0.424 . . . . 70.22 112.144 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -76.86 0.96 18.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.201 0.445 . . . . 61.1 112.201 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.46 5.18 79.46 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.393 -0.432 . . . . 54.44 112.815 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -74.44 156.86 36.52 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.622 -0.34 . . . . 70.11 111.688 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.99 102.29 10.78 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.562 0.696 . . . . 71.35 111.073 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -105.98 145.09 31.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.816 -0.629 . . . . 64.42 110.928 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.48 115.99 28.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.461 0.648 . . . . 71.1 111.713 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.2 mm? -101.63 105.49 16.43 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.253 -0.43 . . . . 73.53 110.663 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 9.5 pt-20 -98.48 117.29 32.59 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.139 0.495 . . . . 64.54 111.531 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.001 0.429 . . . . 73.23 111.34 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -89.35 143.99 26.41 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.202 0.525 . . . . 75.23 111.451 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.77 165.53 19.11 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.463 0.649 . . . . 65.4 112.045 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.51 -25.39 31.11 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.501 -0.772 . . . . 71.42 112.605 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.543 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 7.9 mtpm? -138.09 170.84 15.33 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.084 0.469 . . . . 70.11 111.938 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -72.26 103.39 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.807 -0.633 . . . . 64.31 109.601 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.28 149.54 45.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.796 0.331 . . . . 61.02 111.474 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 60' ' ' ARG . 54.1 mtt180 -57.15 109.68 0.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.553 0.575 . . . . 75.51 112.553 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 28.4 mtpp -61.29 137.72 58.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.323 -0.399 . . . . 75.1 110.769 175.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 51.8 mm-40 73.72 10.63 4.74 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.459 0.703 . . . . 64.1 112.829 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.92 155.73 16.64 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.804 0.335 . . . . 65.43 110.875 173.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -101.22 117.42 34.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.163 0.506 . . . . 32.31 111.559 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.517 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 92.3 mt -93.04 119.6 32.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.244 -0.434 . . . . 62.43 111.711 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 42.9 ttm180 -82.04 90.29 6.5 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.384 -0.371 . . . . 71.33 110.08 173.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 11' ' ' TYR . 59.6 t -84.6 123.18 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.576 0.703 . . . . 74.41 111.928 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.59 126.66 35.39 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.105 -0.952 . . . . 73.41 111.404 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 11.7 t-160 -74.56 121.32 21.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.995 -0.548 . . . . 70.41 110.876 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.1 t -129.59 177.21 7.38 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.103 0.478 . . . . 73.51 112.126 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.9 -54.39 3.35 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.854 -0.612 . . . . 70.14 112.02 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -48.94 -41.04 32.54 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.883 1.068 . . . . 74.44 113.883 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -150.77 28.28 0.7 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.483 0.659 . . . . 53.2 111.05 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 -47.95 2.66 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.081 -0.581 . . . . 74.21 113.11 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.31 146.31 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 120.907 0.384 . . . . 71.2 110.876 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.6 t -135.88 -35.94 0.77 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.116 0.484 . . . . 71.43 111.255 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.4 146.62 42.44 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.381 -0.372 . . . . 70.34 111.678 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.452 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 63.4 p-90 -151.78 144.44 24.28 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.023 0.439 . . . . 75.31 111.289 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 37.9 mt-10 -115.32 143.24 45.57 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.032 0.444 . . . . 72.32 111.191 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HA ' HD23 ' A' ' 65' ' ' LEU . 42.6 tt0 -101.25 91.94 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 74.53 110.242 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 85' ' ' GLU . 30.3 m -112.89 176.02 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.365 0.602 . . . . 75.33 112.436 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -119.1 170.12 9.34 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.935 -0.575 . . . . 75.41 112.078 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.421 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.74 -21.9 63.47 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 112.099 0.407 . . . . 64.35 112.099 178.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.15 -24.16 66.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.27 0.557 . . . . 75.22 110.812 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 26.9 mm-40 -86.42 -51.17 6.38 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.873 -0.603 . . . . 63.14 111.034 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HB3' HG21 ' A' ' 90' ' ' VAL . 82.9 mt -93.78 114.91 64.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.946 -0.57 . . . . 71.15 111.822 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.32 162.21 31.24 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.403 2.069 . . . . 61.03 113.035 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -21.47 4.0 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.624 0.602 . . . . 70.14 112.624 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -45.55 -32.25 2.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.704 0.402 . . . . 63.41 111.804 176.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 86' ' ' LEU . 67.4 t -60.53 -59.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 62.22 111.374 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.9 mttt . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 112.355 0.502 . . . . 64.4 112.355 -176.41 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 9' ' ' ASP . 13.9 mptt . . . . . 0 CA--C 1.554 1.11 0 N-CA-C 110.175 -0.306 . . . . 74.33 110.175 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 4.7 m-20 -69.82 143.43 52.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.645 -0.659 . . . . 74.41 111.623 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HG2' HH21 ' A' ' 66' ' ' ARG . 7.1 tp10 -126.81 107.81 10.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.353 -0.385 . . . . 62.21 110.92 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HB2' HG23 ' A' ' 67' ' ' VAL . 9.3 m-85 -96.17 129.79 43.39 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.139 0.495 . . . . 72.31 111.796 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -100.29 101.91 13.03 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.076 -0.511 . . . . 75.33 111.568 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.87 -179.56 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 116.429 -0.35 . . . . 72.12 111.586 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -134.71 160.65 37.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.807 0.337 . . . . 53.42 111.097 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.9 107.3 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 121.141 0.496 . . . . 74.05 111.986 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 p -86.99 -64.56 1.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.102 -0.499 . . . . 73.15 111.631 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -128.66 137.67 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 120.928 0.394 . . . . 65.54 111.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -131.02 -173.94 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.175 0.512 . . . . 64.45 111.44 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.4 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.603 0.601 . . . . 65.23 114.603 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 47.6 mtpt -70.62 90.47 0.76 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.765 0.783 . . . . 74.4 110.365 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 9.8 pt-20 -82.1 108.33 15.49 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.706 0.765 . . . . 73.25 112.048 -175.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 22' ' ' VAL . 22.6 m -89.26 100.24 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.928 0.87 . . . . 72.44 111.373 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 m170 . . . . . 0 CA--C 1.55 0.979 0 CA-C-N 115.415 -0.811 . . . . 74.33 111.443 174.674 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.4 p90 . . . . . 0 N--CA 1.478 0.947 0 N-CA-C 112.27 0.471 . . . . 71.11 112.27 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -128.74 161.47 29.65 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.014 0.746 . . . . 74.32 113.014 -170.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.425 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 14.6 m-20 -130.58 145.08 51.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.193 -0.912 . . . . 65.32 109.777 166.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -84.31 115.33 22.43 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.632 0.253 . . . . 52.11 111.504 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.68 136.34 37.42 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.125 0.417 . . . . 74.21 112.125 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 92.7 m-85 -126.66 100.21 6.11 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.077 -0.51 . . . . 72.53 110.544 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HG2' ' HB3' ' A' ' 52' ' ' GLU . 13.9 tmtt? -110.65 124.12 51.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.098 -0.501 . . . . 71.51 110.158 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.81 165.71 35.69 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.381 0.61 . . . . 75.01 112.597 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.2 m -90.02 115.95 27.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.25 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.79 109.94 3.42 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.157 -0.544 . . . . 63.4 112.775 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.3 p90 -110.8 122.36 47.64 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.154 0.502 . . . . 61.13 111.68 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 28.0 t70 -156.13 -176.57 6.03 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.81 -0.632 . . . . 75.34 110.563 -173.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.403 ' H ' ' CG ' ' A' ' 43' ' ' ASP . 34.0 tptt 82.22 -61.86 0.16 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.847 0.859 . . . . 74.32 111.385 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.63 35.04 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.434 0.635 . . . . 72.22 111.081 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.75 44.17 6.53 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.059 -0.591 . . . . 65.43 113.761 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 91.6 mttt -124.51 144.93 49.84 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.49 -0.418 . . . . 73.32 110.444 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -94.93 140.86 29.35 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.043 0.449 . . . . 75.12 111.353 -175.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -138.27 149.0 45.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.065 0.459 . . . . 63.32 111.327 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.0 108.98 18.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.043 0.449 . . . . 63.5 111.715 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.7 133.37 55.93 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.881 0.372 . . . . 75.53 111.012 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB3' ' HG2' ' A' ' 38' ' ' LYS . 10.4 pt-20 -150.4 114.41 5.07 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.333 0.587 . . . . 73.54 111.678 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -125.67 159.5 32.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.142 -0.481 . . . . 74.12 111.189 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 71.7 p -116.33 118.69 33.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.08 0.467 . . . . 74.21 112.256 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.66 146.16 25.6 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.029 0.443 . . . . 72.15 111.507 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.91 -24.22 59.66 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.215 0.531 . . . . 73.21 111.431 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -120.77 150.09 41.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.01 -0.541 . . . . 72.01 110.532 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.67 115.49 10.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.977 0.418 . . . . 73.42 110.031 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -78.43 -174.04 3.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.15 -0.477 . . . . 74.22 112.21 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 92.6 mtt180 -57.7 178.16 0.09 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.237 0.541 . . . . 73.51 111.596 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.51 ' HD2' ' N ' ' A' ' 61' ' ' LYS . 2.7 mptp? -120.16 -72.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.105 -0.372 . . . . 74.41 110.809 173.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.21 73.67 5.8 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.548 0.69 . . . . 65.51 110.975 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.2 165.09 22.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 42.03 111.16 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -103.12 163.06 12.45 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.545 0.688 . . . . 75.33 111.958 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 78' ' ' TRP . 3.5 tt -148.14 126.44 12.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.6 -0.727 . . . . 65.05 109.588 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.559 HH21 ' HG2' ' A' ' 10' ' ' GLU . 77.5 mtp180 -88.97 121.93 31.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.619 -0.264 . . . . 74.42 110.447 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 11' ' ' TYR . 28.3 m -112.62 120.06 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 122.202 1.001 . . . . 72.2 112.022 -176.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 24.2 t80 -69.92 99.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.33 -1.305 . . . . 73.31 111.655 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 38.3 t-80 -80.1 98.25 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.0 0.428 . . . . 72.12 111.391 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 t -99.05 154.0 18.44 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.071 -0.513 . . . . 54.01 110.338 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.94 -16.4 50.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.809 0.67 . . . . 74.32 112.809 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.92 -10.89 60.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.0 0.37 . . . . 74.54 112.0 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 67.35 178.62 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.166 0.507 . . . . 63.35 112.01 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.64 1.52 53.55 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.092 -0.504 . . . . 72.14 113.795 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.1 t 66.4 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.655 0.74 . . . . 62.54 112.222 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.45 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 45.2 t -81.63 -37.56 27.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.016 -0.538 . . . . 75.33 111.477 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . 0.42 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -154.57 157.51 38.37 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.463 -0.335 . . . . 73.54 111.001 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.55 ' HB2' HD21 ' A' ' 65' ' ' LEU . 66.1 p-90 -136.25 119.42 16.6 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.062 0.458 . . . . 75.41 111.272 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.87 125.8 52.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.892 0.377 . . . . 75.21 110.673 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -88.06 121.37 30.39 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.78 0.324 . . . . 61.25 111.307 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.04 -178.5 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 121.572 0.701 . . . . 54.31 112.817 -173.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -115.33 167.29 10.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.835 -0.621 . . . . 74.22 110.783 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -70.02 -20.86 63.24 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.185 0.439 . . . . 72.24 112.185 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.28 -21.35 64.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.029 0.442 . . . . 75.5 111.5 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -96.06 4.85 52.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.987 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.0 mt -101.41 150.2 37.01 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.348 -0.387 . . . . 74.12 111.049 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HG2' HG23 ' A' ' 90' ' ' VAL . 15.8 Cg_endo -57.54 143.04 95.53 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.278 1.985 . . . . 51.23 112.289 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.35 61.67 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.299 0.481 . . . . 65.1 112.299 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.433 ' HA ' ' HD3' ' A' ' 89' ' ' LYS . 40.3 mmtm -56.3 -35.45 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.234 0.457 . . . . 70.01 112.234 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 87' ' ' PRO . 66.6 t -68.3 -40.43 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.077 0.465 . . . . 52.34 111.333 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.7 tttm . . . . . 0 CA--C 1.542 0.646 0 CA-C-N 115.975 -0.557 . . . . 71.21 111.608 -178.83 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 11.2 mmpt? . . . . . 0 CA--C 1.539 0.542 0 CA-C-O 120.697 0.284 . . . . 52.23 111.328 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 69' ' ' HIS . 18.8 m-20 -75.17 112.37 11.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.692 0.282 . . . . 62.22 111.721 175.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 66' ' ' ARG . 13.0 pt-20 -106.61 120.73 42.74 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.174 0.511 . . . . 74.33 111.256 176.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -116.82 134.51 54.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.292 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.16 100.44 12.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.062 0.458 . . . . 73.53 110.919 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.42 141.18 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 120.862 0.363 . . . . 62.23 111.853 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.3 pt20 -92.19 139.19 30.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.761 0.315 . . . . 63.23 110.904 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.671 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 22.3 mm -66.14 125.24 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.04 0.448 . . . . 72.33 111.023 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.8 p -84.52 -71.18 0.53 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.986 -0.552 . . . . 72.44 111.897 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.6 148.66 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.916 0.389 . . . . 61.1 111.51 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.2 172.3 11.95 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.156 0.503 . . . . 42.35 111.513 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.51 7.29 64.14 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.821 0.689 . . . . 61.41 114.821 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.09 91.01 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.77 0.785 . . . . 64.44 110.878 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.75 138.76 46.7 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.057 0.456 . . . . 54.23 111.76 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.1 m -80.3 64.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.642 0.735 . . . . 45.11 111.183 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 . . . . . 0 CA--C 1.548 0.894 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.922 -177.868 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 . . . . . 0 C--O 1.236 0.382 0 CA-C-O 120.706 0.288 . . . . 71.45 110.559 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -147.12 80.94 1.53 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.507 0.558 . . . . 65.13 112.507 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -115.39 144.71 43.39 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.709 -0.478 . . . . 74.21 109.709 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -81.04 132.48 35.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.166 0.508 . . . . 72.33 112.036 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 54' ' ' THR . 33.1 tt0 -87.17 124.36 33.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.595 -0.73 . . . . 74.13 111.518 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 98.6 m-85 -120.64 108.04 13.54 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.985 0.422 . . . . 75.11 111.595 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -117.86 116.09 26.27 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.007 -0.542 . . . . 70.04 110.562 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.62 154.7 43.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.012 0.434 . . . . 54.44 112.155 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.7 m -108.7 123.55 49.17 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.969 0.414 . . . . 73.45 111.863 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.17 126.95 8.93 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 116.332 -0.394 . . . . 42.14 112.662 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -103.25 106.26 16.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.757 0.313 . . . . 52.25 111.158 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -163.08 174.1 12.67 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.649 -0.25 . . . . 74.03 110.937 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 40.8 ttmt 61.02 70.85 0.59 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.351 0.596 . . . . 73.41 111.131 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 65.75 18.99 11.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.69 -0.686 . . . . 72.24 112.679 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.88 17.47 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.228 -0.511 . . . . 53.45 114.122 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 75.9 mmtt -69.47 121.36 16.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.149 0.475 . . . . 61.42 110.883 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.81 102.61 13.72 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.459 0.647 . . . . 72.45 110.872 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.451 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 tptp -104.46 131.22 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 70.34 111.091 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 95.65 10.35 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.367 0.603 . . . . 72.35 110.615 172.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 67' ' ' VAL . 3.9 mp -88.08 144.3 26.58 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 73.24 111.219 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -134.61 129.57 35.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.988 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 21.1 p90 -150.97 130.4 12.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.302 -0.408 . . . . 74.5 111.302 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 36' ' ' GLU . 44.6 p -100.14 129.73 46.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 72.12 111.616 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.41 144.79 42.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.312 -0.403 . . . . 73.13 111.751 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -64.16 -28.69 69.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.109 0.411 . . . . 72.4 112.109 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -134.87 156.87 48.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.865 0.364 . . . . 75.34 111.76 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -58.88 120.45 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.814 0.672 . . . . 55.0 112.814 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.1 mt -85.59 170.51 12.51 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.087 -0.506 . . . . 63.21 110.764 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -88.04 133.66 33.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.979 0.418 . . . . 73.45 110.959 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.76 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -100.92 170.52 8.24 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.15 0.426 . . . . 72.34 112.15 -174.542 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 74.33 -43.74 0.54 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.42 0.688 . . . . 74.43 111.47 -175.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.12 30.46 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.001 0.429 . . . . 71.24 111.538 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 56.5 m-85 -100.38 157.54 16.55 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.261 0.553 . . . . 71.51 112.186 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 15' ' ' ILE . 2.8 mp -131.4 145.37 51.78 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.08 -0.509 . . . . 61.34 110.39 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HG3' ' HB2' ' A' ' 10' ' ' GLU . 39.2 ttm180 -81.44 98.28 8.16 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.651 -0.5 . . . . 61.42 109.651 170.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 51' ' ' LEU . 22.1 m -88.79 125.42 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.944 0.878 . . . . 74.22 111.867 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.424 ' HE1' ' HD3' ' A' ' 8' ' ' LYS . 28.7 t80 -69.51 99.6 1.28 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.519 -1.219 . . . . 70.5 110.572 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.485 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 13.0 t-80 -78.06 109.98 12.61 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.878 -0.601 . . . . 55.02 111.94 -177.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -125.11 132.69 53.08 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.643 -0.708 . . . . 63.02 110.95 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.43 -17.33 12.54 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.015 0.376 . . . . 72.34 112.015 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -56.67 -62.48 1.7 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 111.997 0.369 . . . . 74.52 111.997 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.12 19.86 2.61 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.832 0.825 . . . . 74.31 111.376 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.22 -67.09 2.81 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 121.124 -0.56 . . . . 34.34 112.577 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.52 110.86 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 120.823 0.344 . . . . 50.51 111.387 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.7 m -103.65 -6.74 21.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.861 0.362 . . . . 50.24 111.372 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.88 151.0 23.12 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.602 -0.272 . . . . 54.34 111.418 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.5 ' HB3' HG12 ' A' ' 67' ' ' VAL . 14.2 p-90 -156.73 141.33 16.82 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.832 0.349 . . . . 72.31 111.912 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -136.72 147.72 46.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.398 -0.365 . . . . 74.54 111.135 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.18 139.86 37.88 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.846 0.684 . . . . 73.34 112.846 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.72 127.27 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.136 0.575 . . . . 73.4 110.667 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -73.87 134.49 43.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.801 -0.562 . . . . 70.24 111.656 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.66 -18.48 59.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 73.31 111.707 -177.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.76 -20.35 65.94 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.272 0.471 . . . . 72.03 112.272 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.5 5.64 14.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.461 0.541 . . . . 71.34 112.461 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 83' ' ' LYS . 10.9 mp -78.82 143.09 61.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-O 120.657 0.265 . . . . 71.12 111.337 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.414 ' O ' HG12 ' A' ' 90' ' ' VAL . 24.8 Cg_endo -59.81 142.65 99.03 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.992 2.461 . . . . 61.23 113.771 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.53 69.78 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.783 0.661 . . . . 44.35 112.783 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.415 ' HD3' ' H ' ' A' ' 89' ' ' LYS . 4.1 mppt? -60.48 -35.5 76.06 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.379 0.511 . . . . 42.21 112.379 -176.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 87' ' ' PRO . 12.9 p -82.71 -33.62 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 120.969 0.414 . . . . 42.42 110.955 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 6.0 tmtm? . . . . . 0 CA--C 1.544 0.737 0 CA-C-O 121.209 0.528 . . . . 74.24 110.136 177.113 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 21.3 pttp . . . . . 0 CA--C 1.539 0.532 0 N-CA-C 112.819 0.674 . . . . 73.03 112.819 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -168.69 -179.58 3.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 64.42 110.48 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.91 114.17 20.1 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.007 0.432 . . . . 52.2 111.115 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.695 ' HE1' ' HB2' ' A' ' 69' ' ' HIS . 79.0 m-85 -92.2 136.14 33.43 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 122.219 -0.3 . . . . 74.43 110.944 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.75 100.17 11.73 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.07 0.462 . . . . 71.12 110.709 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -120.88 148.14 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 112.371 0.508 . . . . 73.32 112.371 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.636 ' NE2' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -93.56 148.05 22.44 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.67 -0.493 . . . . 74.45 109.67 176.017 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.636 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 23.7 mm -65.6 93.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 73.32 111.847 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -80.23 -59.73 2.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.429 . . . . 75.02 111.558 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.46 125.44 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 121.106 0.479 . . . . 62.15 111.892 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -131.28 164.97 24.42 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.143 0.497 . . . . 63.43 111.997 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.89 9.18 65.61 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 114.794 0.678 . . . . 73.21 114.794 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -68.73 95.64 0.68 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.573 0.687 . . . . 70.41 111.519 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 42.9 mt-10 -75.21 106.32 6.67 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.303 0.573 . . . . 73.43 112.144 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 m -84.4 83.91 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.826 0.822 . . . . 53.42 112.634 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.733 ' HB3' ' HD3' ' A' ' 33' ' ' LYS . 7.6 p80 . . . . . 0 N--CA 1.472 0.638 0 CA-C-N 115.791 -0.641 . . . . 70.3 111.019 173.333 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 . . . . . 0 CA--C 1.539 0.529 0 CA-C-O 120.727 0.299 . . . . 65.0 110.926 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.733 ' HD3' ' HB3' ' A' ' 23' ' ' HIS . 11.9 pttp -163.57 129.36 3.11 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.218 0.532 . . . . 74.14 112.244 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 4.8 m-20 -86.16 175.32 8.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.903 -0.589 . . . . 72.3 111.163 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -105.27 107.52 18.54 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.985 0.421 . . . . 55.41 111.642 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.28 140.53 40.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.179 0.514 . . . . 72.22 111.679 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 65.7 m-85 -121.9 96.67 5.15 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.079 -0.509 . . . . 71.41 110.678 175.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 52' ' ' GLU . 56.2 tptt -80.53 90.72 5.71 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.679 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -113.51 123.87 51.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.885 0.374 . . . . 71.44 111.735 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.4 m -81.64 114.07 20.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.887 0.375 . . . . 73.51 111.23 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.64 142.37 16.05 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.178 -0.534 . . . . 72.33 113.167 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -105.96 106.46 16.98 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.066 0.46 . . . . 75.42 111.238 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 33.3 t70 -88.81 156.46 18.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.052 -0.522 . . . . 71.54 112.14 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 70.85 -66.6 0.28 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.566 -0.743 . . . . 71.32 111.409 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -154.1 -44.44 0.09 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.767 0.318 . . . . 54.01 111.163 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.94 23.02 0.28 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 120.704 -0.76 . . . . 54.24 114.218 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.673 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 10.9 mmpt? -91.19 119.36 31.22 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 117.306 0.553 . . . . 74.02 110.351 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -96.78 132.68 42.25 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.118 0.785 . . . . 64.13 113.118 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -128.74 153.06 47.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.569 -0.741 . . . . 73.42 109.752 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -87.67 112.62 22.54 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 120.874 0.369 . . . . 73.05 111.495 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.23 109.15 19.51 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.47 -0.332 . . . . 71.35 110.932 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -120.74 133.56 55.33 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.081 0.467 . . . . 70.11 111.136 178.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 49.9 p90 -138.52 156.05 47.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.907 0.385 . . . . 74.51 111.628 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.8 p -100.03 117.33 34.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.995 0.426 . . . . 74.22 111.001 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.26 150.93 22.8 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.283 0.563 . . . . 64.3 112.127 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -66.81 -29.58 69.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.516 -0.765 . . . . 73.31 112.247 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -143.5 165.38 27.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.36 0.6 . . . . 73.12 112.391 -172.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 147.36 48.21 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.714 -0.676 . . . . 65.5 109.942 169.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.59 -178.66 3.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.875 0.324 . . . . 61.42 111.875 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 60' ' ' ARG . 5.7 mpt_? -70.13 105.84 3.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.284 0.564 . . . . 64.41 111.448 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.22 -23.51 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.789 -0.641 . . . . 71.31 112.658 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.85 13.65 27.95 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.229 0.455 . . . . 72.33 112.229 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.22 171.25 7.48 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.137 0.494 . . . . 72.14 112.14 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 24.9 m-85 -111.57 133.64 53.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.021 176.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.67 125.16 45.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.253 0.464 . . . . 74.32 112.253 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 14.2 mtp180 -89.54 92.69 9.2 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.805 -0.634 . . . . 75.1 109.996 170.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 11' ' ' TYR . 31.1 m -90.85 145.65 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.776 0.798 . . . . 70.2 112.804 -175.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -88.59 116.89 27.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.669 -1.15 . . . . 65.31 111.747 -174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.695 ' HB2' ' HE1' ' A' ' 11' ' ' TYR . 20.2 t-160 -74.34 129.44 37.8 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.397 0.618 . . . . 74.42 112.565 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 67.7 m -147.42 109.03 4.35 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.16 -0.682 . . . . 60.02 109.16 168.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -56.11 -25.71 46.98 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.558 0.948 . . . . 63.1 113.558 -170.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 19.15 19.26 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.748 -0.595 . . . . 74.33 112.578 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.1 OUTLIER -143.67 -15.09 0.64 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.087 0.403 . . . . 64.15 112.087 179.127 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.78 -83.63 0.69 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.2 -0.524 . . . . 64.02 112.58 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 95.6 t -136.54 113.65 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.742 0.306 . . . . 70.25 111.341 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.6 t -93.73 -14.38 26.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.638 0.256 . . . . 65.31 111.507 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.29 155.44 17.93 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.627 -0.26 . . . . 60.4 111.026 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -151.27 142.52 23.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.145 0.498 . . . . 74.43 111.997 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 33.3 mt-10 -110.78 143.7 40.9 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.076 -0.511 . . . . 55.12 110.701 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.22 105.0 15.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.847 0.356 . . . . 71.43 110.953 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.434 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 34.4 m -120.36 -179.81 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.273 0.472 . . . . 63.22 112.273 -175.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 168.98 9.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.063 0.459 . . . . 75.03 111.505 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -75.4 -19.8 59.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.636 0.606 . . . . 62.25 112.636 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.16 -10.39 59.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.991 -0.443 . . . . 64.45 112.086 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.434 ' OE2' ' HB ' ' A' ' 81' ' ' VAL . 45.0 mt-10 -87.76 -1.87 58.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.823 0.305 . . . . 73.22 111.823 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 83' ' ' LYS . 7.1 mp -92.98 131.32 33.58 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.736 -0.211 . . . . 73.53 110.69 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.13 145.37 65.13 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.598 2.199 . . . . 64.45 112.795 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.0 71.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.146 0.424 . . . . 73.2 112.146 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 46.6 mtpt -57.38 -21.78 38.34 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.5 0.556 . . . . 72.12 112.5 -178.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.46 -51.92 64.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.019 0.438 . . . . 74.14 110.655 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 CA--C 1.538 0.499 0 CA-C-O 121.225 0.536 . . . . 64.11 110.566 176.074 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.469 0.522 0 CA-C-O 120.839 0.352 . . . . 73.41 111.125 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.469 ' H ' ' HB3' ' A' ' 69' ' ' HIS . 10.8 m-20 -119.28 156.75 29.39 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.011 0.434 . . . . 65.1 112.015 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 6.7 pt-20 -106.5 102.14 11.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.183 0.516 . . . . 74.03 110.252 172.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.521 ' HB3' ' HA3' ' A' ' 41' ' ' GLY . 51.9 m-85 -93.46 123.1 36.54 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.976 -0.453 . . . . 73.54 111.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.63 103.63 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.067 -0.515 . . . . 71.52 110.437 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -102.37 165.71 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.244 0.545 . . . . 44.42 112.363 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -125.55 140.29 52.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.756 -0.656 . . . . 64.03 109.705 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.431 HD11 HD11 ' A' ' 65' ' ' LEU . 46.8 mm -67.16 100.45 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.106 0.479 . . . . 65.43 112.093 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.5 p -84.72 -67.7 0.78 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.112 0.482 . . . . 60.3 110.892 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 m -114.28 131.13 67.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.186 -0.461 . . . . 74.34 111.373 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.03 159.74 36.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.869 0.692 . . . . 72.34 112.869 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.96 9.02 70.33 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 115.778 1.071 . . . . 74.33 115.778 171.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.15 100.32 2.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.372 1.086 . . . . 50.04 111.191 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.0 124.07 30.06 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.154 -0.475 . . . . 65.22 111.469 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' VAL . 28.4 m -78.11 81.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 121.973 0.892 . . . . 75.14 111.267 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 . . . . . 0 N--CA 1.474 0.761 0 CA-C-N 115.809 -0.632 . . . . 52.51 111.457 176.294 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 p90 . . . . . 0 CA--C 1.542 0.641 0 N-CA-C 112.25 0.463 . . . . 70.12 112.25 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.76 106.08 9.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.278 -0.419 . . . . 72.12 110.914 173.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB2' HG22 ' A' ' 22' ' ' VAL . 47.3 m-20 -98.75 132.07 44.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 75.41 110.747 174.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -88.2 108.28 19.21 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.354 -0.384 . . . . 73.52 110.787 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.8 125.14 41.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.954 0.407 . . . . 55.15 111.83 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.526 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 30.5 m-85 -119.62 117.01 27.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.138 -0.483 . . . . 70.33 110.693 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -113.01 118.89 36.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.065 0.459 . . . . 75.12 110.977 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 171.34 14.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.879 -0.6 . . . . 73.53 111.76 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.8 m -107.53 129.84 54.93 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.286 0.476 . . . . 72.13 112.286 -175.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 11' ' ' TYR . . . -116.5 140.74 16.26 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.155 -0.475 . . . . 75.35 112.809 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.59 140.46 51.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.835 0.35 . . . . 74.32 111.609 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.01 165.33 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.614 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 52.6 -86.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.792 0.837 . . . . 62.32 112.899 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.538 ' HB2' ' HG3' ' A' ' 47' ' ' LYS . 23.1 m-20 -85.16 -5.12 59.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.945 0.402 . . . . 61.44 111.75 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 81.13 19.01 68.0 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.182 -0.532 . . . . 53.11 112.717 -176.714 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG3' ' HB2' ' A' ' 45' ' ' ASP . 66.9 mttm -71.9 146.05 48.11 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.646 0.26 . . . . 75.51 111.056 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.01 106.41 18.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.256 0.55 . . . . 74.44 112.196 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -99.84 136.45 39.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.943 -0.571 . . . . 44.32 110.179 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.58 37.93 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.994 0.426 . . . . 75.15 111.086 175.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -134.9 150.44 50.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.995 0.426 . . . . 71.12 111.095 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -138.28 134.62 34.58 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.811 0.339 . . . . 62.42 111.159 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -138.86 142.88 38.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.995 0.426 . . . . 75.44 111.57 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 p -99.55 109.42 21.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.067 0.461 . . . . 74.4 110.913 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -97.61 150.34 21.25 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.332 0.587 . . . . 33.41 112.076 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -74.36 -18.83 60.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.56 -0.745 . . . . 72.52 111.79 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -129.47 160.52 32.9 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.933 0.397 . . . . 75.13 111.698 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.526 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 8.4 m120 -83.52 101.67 11.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.948 0.404 . . . . 73.22 110.839 171.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.515 HD22 HD21 ' A' ' 65' ' ' LEU . 1.8 pp -71.07 -175.02 1.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.168 -0.469 . . . . 64.13 111.954 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -101.38 144.05 30.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.92 0.711 . . . . 63.22 112.92 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 23.1 pttm -90.77 179.39 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.359 -0.608 . . . . 75.25 109.359 165.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 68.9 mm-40 65.96 18.29 11.02 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.45 0.643 . . . . 75.03 110.45 -170.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.22 172.69 12.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.808 -0.633 . . . . 75.51 111.612 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -125.72 151.75 46.24 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 64.43 110.119 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 59' ' ' LEU . 4.2 mp -127.86 144.09 51.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.871 -0.518 . . . . 63.21 112.239 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -86.27 97.55 10.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.932 -0.576 . . . . 71.54 109.785 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.08 130.87 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.521 0.677 . . . . 61.44 111.243 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 31.6 t80 -81.3 106.7 13.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.894 -1.048 . . . . 74.41 111.786 -173.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.469 ' HB3' ' H ' ' A' ' 9' ' ' ASP . 11.5 t-160 -74.23 105.07 5.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.417 -0.356 . . . . 75.53 111.241 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.8 p -132.79 100.78 5.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.234 -0.439 . . . . 63.1 110.799 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.31 0.31 1.49 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.902 0.704 . . . . 74.11 112.902 -174.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -78.94 -29.39 44.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.867 0.365 . . . . 72.35 110.574 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -139.29 10.4 2.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.788 0.435 . . . . 73.02 111.762 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.24 -66.02 1.93 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 120.913 -0.661 . . . . 70.03 112.074 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.77 128.46 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 123.006 0.522 . . . . 74.03 110.868 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 37.7 t -99.38 -33.88 10.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.023 0.379 . . . . 74.3 112.023 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.28 175.4 12.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.39 0.515 . . . . 73.34 112.39 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -155.16 140.39 17.58 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.735 -0.666 . . . . 72.42 111.446 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -119.59 134.09 55.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.589 0.233 . . . . 74.23 111.322 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -90.21 109.64 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.818 0.342 . . . . 60.51 111.187 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.0 m -109.56 172.59 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 120.895 0.379 . . . . 63.13 111.104 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -118.51 145.66 45.13 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.421 0.629 . . . . 75.24 112.232 -177.107 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -4.9 2.07 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.444 0.905 . . . . 64.4 113.444 -177.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.01 -22.61 58.4 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.026 0.38 . . . . 73.3 112.026 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.7 pt-20 -98.57 1.16 46.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.989 0.423 . . . . 74.3 111.891 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.5 mt -89.39 122.56 68.34 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.495 -0.321 . . . . 75.12 111.241 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.24 137.06 54.45 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.772 2.314 . . . . 74.2 112.767 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.13 64.66 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.007 0.373 . . . . 73.31 112.007 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 24.7 mmtm -60.33 -37.45 80.67 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.393 0.516 . . . . 72.21 112.393 178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.09 -37.58 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.646 0.736 . . . . 74.24 110.525 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 82.0 tttt . . . . . 0 CA--C 1.544 0.741 0 CA-C-N 115.617 -0.72 . . . . 75.32 110.888 177.462 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 mptt . . . . . 0 N--CA 1.471 0.612 0 CA-C-O 120.94 0.4 . . . . 61.32 111.272 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.67 174.98 8.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.094 -0.503 . . . . 54.0 110.421 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.0 136.55 45.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.549 0.69 . . . . 73.41 111.707 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -100.41 124.44 45.92 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.99 -0.55 . . . . 71.53 110.658 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.88 107.61 8.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 72.42 111.199 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.485 HG12 ' HA2' ' A' ' 41' ' ' GLY . 16.1 m -113.35 140.5 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.12 -0.491 . . . . 71.13 111.112 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.32 138.45 42.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.971 0.415 . . . . 62.42 111.239 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.39 102.95 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 112.769 0.655 . . . . 62.45 112.769 -174.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -94.09 -67.93 0.83 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.835 -0.62 . . . . 73.14 112.26 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.19 140.5 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 112.347 0.499 . . . . 74.53 112.347 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -131.7 155.02 48.38 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.961 0.41 . . . . 74.54 111.721 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.2 8.28 65.05 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 114.905 0.722 . . . . 64.11 114.905 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -75.12 89.77 2.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 117.554 0.677 . . . . 73.32 110.343 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -98.91 123.69 43.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.629 0.603 . . . . 54.14 112.629 -172.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -89.13 84.0 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.695 0.759 . . . . 65.45 112.205 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 14.1 t-80 . . . . . 0 N--CA 1.473 0.713 0 CA-C-N 116.07 -0.514 . . . . 72.44 111.802 178.248 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 23' ' ' HIS . 20.2 m-85 . . . . . 0 N--CA 1.466 0.332 0 CA-C-O 120.929 0.395 . . . . 74.2 110.001 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG3' ' HB2' ' A' ' 23' ' ' HIS . 48.4 tttm -149.68 69.93 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.304 0.573 . . . . 70.22 110.457 -174.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.49 153.42 21.87 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.702 -0.681 . . . . 63.34 112.04 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -76.89 124.79 28.25 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.09 -0.505 . . . . 73.1 111.487 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -109.24 119.95 41.05 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.775 -0.648 . . . . 71.42 111.279 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.1 119.75 36.21 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.32 -0.4 . . . . 72.24 111.574 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -115.18 118.44 33.34 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.39 . . . . 60.12 110.455 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -147.8 154.33 40.34 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.366 0.603 . . . . 74.24 112.061 -179.249 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.2 m -83.61 113.02 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 64.05 111.346 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -89.82 141.94 16.32 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.139 -0.553 . . . . 50.43 112.956 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.48 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 97.4 m-85 -106.23 127.73 53.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.134 0.492 . . . . 61.43 111.674 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.95 161.87 29.15 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.705 -0.68 . . . . 63.33 111.904 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HE2' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -65.02 -9.57 22.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.667 0.988 . . . . 55.05 113.667 -177.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.492 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 30.2 t70 -96.79 -10.3 26.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.19 0.519 . . . . 63.24 110.841 172.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.53 49.4 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 116.243 -0.435 . . . . 60.44 113.092 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 62.6 mttp -119.8 153.86 35.11 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.643 -0.328 . . . . 73.45 110.845 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.38 154.79 17.23 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.471 0.545 . . . . 74.51 112.471 -175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -170.06 143.56 2.52 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.966 -0.561 . . . . 75.53 111.031 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -83.8 115.9 22.46 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.749 0.309 . . . . 53.44 111.695 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.44 153.69 25.76 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.254 0.55 . . . . 72.13 111.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -141.61 144.34 34.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.015 -0.539 . . . . 73.14 110.446 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HE2' HD21 ' A' ' 39' ' ' LEU . 41.8 p90 -165.17 165.03 20.07 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.27 0.557 . . . . 74.41 112.078 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.6 p -104.11 129.99 51.81 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.888 -0.597 . . . . 65.21 111.166 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.64 142.77 31.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.277 0.56 . . . . 70.41 112.163 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.51 -8.18 59.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.451 0.643 . . . . 71.12 110.884 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -141.44 163.76 32.06 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.898 -0.592 . . . . 60.24 110.605 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -79.21 105.67 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.883 -0.784 . . . . 62.35 108.883 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 65' ' ' LEU . 46.1 mt -65.47 152.96 42.71 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.064 0.765 . . . . 52.12 113.064 -169.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.66 111.44 3.18 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.976 -0.556 . . . . 64.31 111.624 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -56.89 139.26 52.13 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.051 0.453 . . . . 74.21 112.172 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.75 18.02 11.24 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.753 -0.658 . . . . 75.42 111.66 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.73 162.68 12.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.037 -0.414 . . . . 75.01 110.64 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 55.1 m-85 -110.59 130.1 55.65 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.451 0.643 . . . . 73.03 112.176 -176.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.691 HD11 HD13 ' A' ' 59' ' ' LEU . 95.7 mt -100.19 127.59 46.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 75.42 110.967 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -81.96 87.34 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.356 -0.609 . . . . 71.11 109.356 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.29 128.71 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.362 0.601 . . . . 64.41 112.016 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.19 95.87 0.79 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.341 -0.845 . . . . 73.45 110.392 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 53.4 t-80 -94.14 106.43 18.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.627 0.603 . . . . 63.01 112.627 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' LYS . 46.9 m -97.05 92.04 5.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.275 -0.42 . . . . 73.02 111.392 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 54.46 -80.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.244 0.617 . . . . 64.45 112.592 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.841 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 18.1 ptpt -66.93 -67.5 0.45 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.114 0.483 . . . . 64.02 110.77 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.841 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 53.2 mtmt -155.44 -64.29 0.12 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.558 0.743 . . . . 71.54 109.382 -175.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.51 -80.94 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.09 -0.505 . . . . 75.01 113.08 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 75' ' ' VAL . 16.1 t 59.48 43.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.73 0.776 . . . . 55.13 111.572 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.6 t -53.37 -43.22 67.62 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.335 0.588 . . . . 70.24 110.933 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.28 42.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.801 -0.636 . . . . 72.13 111.102 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -140.35 142.73 35.54 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.272 -0.422 . . . . 73.04 111.3 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 35.3 mt-10 -117.77 137.33 52.8 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.415 -0.357 . . . . 71.15 110.85 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.59 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.0 tt0 -97.11 94.96 7.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.03 0.443 . . . . 71.35 111.217 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.33 -179.82 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.172 0.511 . . . . 64.13 111.904 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -107.88 166.66 10.54 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.376 0.608 . . . . 72.41 112.21 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -78.91 -27.88 43.84 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.806 -0.633 . . . . 75.25 111.378 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -39.07 81.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.202 0.445 . . . . 63.32 112.202 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.11 3.56 26.53 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.933 0.716 . . . . 65.01 112.933 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.95 142.9 98.25 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 120.579 0.228 . . . . 74.54 111.455 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.641 ' O ' HG12 ' A' ' 90' ' ' VAL . 13.9 Cg_endo -55.04 135.67 69.76 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.992 2.461 . . . . 71.21 113.27 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 91' ' ' LYS . . . -49.37 -36.52 21.88 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.061 0.763 . . . . 61.53 113.061 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 69.7 mmtt -69.15 -22.1 63.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.139 0.792 . . . . 75.12 113.139 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 87' ' ' PRO . 5.2 p -73.66 -35.51 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.939 -0.476 . . . . 64.21 110.948 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 19.3 ptpt . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 64.1 110.934 178.21 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm . . . . . 0 CA--C 1.543 0.684 0 CA-C-O 120.923 0.392 . . . . 71.34 110.589 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -140.2 144.73 36.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.551 0.34 . . . . 74.11 110.099 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 136.86 52.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.253 0.549 . . . . 73.23 111.828 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 67' ' ' VAL . 52.4 m-85 -110.6 126.72 54.75 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.115 -0.493 . . . . 64.3 110.888 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.73 100.06 11.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.937 0.399 . . . . 64.24 110.627 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.52 133.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.869 0.366 . . . . 72.43 111.535 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.2 pt20 -88.79 147.62 24.34 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.077 0.465 . . . . 71.41 111.693 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.59 98.75 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 120.897 0.379 . . . . 75.02 111.466 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.02 -57.15 8.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.133 0.492 . . . . 71.52 110.917 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.05 126.11 74.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.047 -0.524 . . . . 74.14 111.427 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.01 176.35 5.2 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.885 0.374 . . . . 60.13 110.471 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.64 8.33 67.19 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 121.126 -0.559 . . . . 64.52 114.35 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HB3' ' HB3' ' A' ' 36' ' ' GLU . 55.6 mmtt -74.1 137.36 43.24 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.574 0.687 . . . . 63.42 110.086 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 36.5 mt-10 -133.94 122.77 23.58 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.691 0.256 . . . . 72.31 111.691 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 36' ' ' GLU . 3.8 m -73.55 78.22 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.864 0.84 . . . . 71.22 111.158 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--N 1.323 -0.585 0 CA-C-N 115.479 -0.782 . . . . 73.4 112.388 -178.274 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.8 p90 . . . . . 0 CA--C 1.536 0.442 0 N-CA-C 109.663 -0.495 . . . . 74.42 109.663 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -152.14 101.86 2.74 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 122.327 -0.233 . . . . 63.4 110.929 -174.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -112.38 156.76 21.95 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.728 0.299 . . . . 73.41 111.301 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 76.6 m-85 -102.7 164.14 11.81 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.402 0.89 . . . . 73.53 113.402 -171.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.652 ' HB2' HG13 ' A' ' 22' ' ' VAL . 41.4 tt0 -133.72 142.35 47.93 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.573 -0.739 . . . . 70.34 111.074 -170.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -143.06 107.84 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.109 0.48 . . . . 73.33 111.779 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 40.3 ttmt -96.31 101.3 12.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.322 -0.399 . . . . 73.34 110.388 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 38' ' ' LYS . 29.8 mt -123.36 168.46 12.49 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.162 0.506 . . . . 64.1 111.329 -176.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -108.0 112.5 25.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.008 0.433 . . . . 73.22 111.207 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 112.82 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.084 -0.579 . . . . 75.23 112.496 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -89.47 116.03 27.35 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.028 0.442 . . . . 64.15 110.64 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.3 t70 -70.02 156.89 38.49 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.115 -0.493 . . . . 75.43 112.021 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -50.05 -42.15 49.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.692 -0.686 . . . . 63.34 112.519 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -73.15 -24.44 60.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.03 0.443 . . . . 74.4 111.469 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.0 31.16 1.47 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 121.423 -0.418 . . . . 71.22 113.211 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 32.0 mmtp -96.26 170.91 8.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.827 0.346 . . . . 75.21 111.249 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 137.36 48.28 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.933 0.396 . . . . 74.51 110.856 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -140.05 137.64 34.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.013 0.435 . . . . 52.2 111.127 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.71 123.17 20.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.308 -0.406 . . . . 71.25 111.383 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 67' ' ' VAL . 22.0 tp -136.77 86.75 2.23 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.229 0.537 . . . . 70.44 112.216 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 38' ' ' LYS . 8.0 mp0 -105.0 111.04 23.68 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.309 -0.405 . . . . 74.5 110.71 177.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -131.54 161.47 32.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.337 0.589 . . . . 74.02 112.272 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -108.4 169.58 8.55 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.079 -0.51 . . . . 72.23 111.447 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.37 160.42 41.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.221 0.534 . . . . 22.24 111.529 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -95.98 -1.53 48.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.066 -0.516 . . . . 74.42 111.05 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -161.04 145.43 13.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.631 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.64 125.07 30.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.53 0.205 . . . . 55.14 110.535 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.445 ' H ' HD23 ' A' ' 59' ' ' LEU . 0.8 OUTLIER -103.35 -165.92 1.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.922 0.392 . . . . 72.44 111.53 178.517 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -85.14 128.1 34.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.83 0.678 . . . . 73.02 112.83 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.513 ' HD3' ' N ' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.15 153.22 12.13 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.609 -0.723 . . . . 65.4 112.484 177.586 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 67.66 -14.27 0.22 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.259 0.837 . . . . 64.33 113.259 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.92 146.68 51.03 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.966 -0.458 . . . . 73.45 111.17 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 65.9 m-85 -91.86 114.03 26.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.118 0.485 . . . . 75.14 111.798 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.7 mt -86.29 122.11 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 74.1 111.745 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.31 86.22 6.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.179 -0.674 . . . . 61.42 109.179 171.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 51' ' ' LEU . 33.1 m -86.49 128.21 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 122.149 0.976 . . . . 74.34 113.065 -172.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.46 108.43 6.32 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.52 -1.218 . . . . 72.41 110.539 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 12.4 t-80 -77.45 110.17 11.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.324 -0.398 . . . . 75.44 111.994 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.3 p -96.77 164.64 12.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.984 0.421 . . . . 71.44 110.857 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.04 -29.78 31.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.027 0.441 . . . . 53.05 111.502 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -74.13 -66.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.729 0.64 . . . . 75.12 112.729 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 3.7 mmmp? -117.69 26.87 9.4 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.522 0.564 . . . . 74.23 112.522 -174.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 76.97 -60.17 3.47 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 121.03 -0.605 . . . . 60.43 113.934 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.16 127.97 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 122.362 -0.493 . . . . 73.1 111.464 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -107.94 -22.28 12.49 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.041 0.448 . . . . 33.11 111.471 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.41 155.8 37.05 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.477 -0.329 . . . . 71.54 111.169 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.534 ' HB3' HG12 ' A' ' 67' ' ' VAL . 25.6 p-90 -156.08 134.44 11.53 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.503 0.557 . . . . 75.05 112.503 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.84 148.43 42.12 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.859 -0.609 . . . . 72.33 110.359 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.23 126.52 36.33 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.975 0.417 . . . . 72.5 111.815 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 64' ' ' PHE . 18.9 m -127.8 154.23 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 122.796 0.438 . . . . 71.14 110.571 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.52 ' N ' ' HD3' ' A' ' 82' ' ' LYS . 3.1 mppt? -107.47 151.29 25.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.966 -0.459 . . . . 74.3 111.384 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.5 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.127 0.489 . . . . 75.22 111.915 -177.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.38 -32.4 73.2 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.152 0.501 . . . . 41.13 111.314 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.47 -10.58 58.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.798 -0.637 . . . . 74.45 112.083 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.15 132.68 73.15 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 122.315 -0.241 . . . . 74.32 111.046 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HG2' HG22 ' A' ' 90' ' ' VAL . 63.8 Cg_endo -71.72 159.56 50.52 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.575 2.183 . . . . 64.12 113.437 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.24 79.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.074 -0.512 . . . . 73.23 112.295 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.38 -41.46 69.22 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.124 0.416 . . . . 70.35 112.124 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 87' ' ' PRO . 33.6 m -93.58 -38.31 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 111.905 0.335 . . . . 71.32 111.905 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt . . . . . 0 N--CA 1.47 0.546 0 CA-C-O 121.121 0.486 . . . . 73.55 111.876 -178.31 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.545 ' HD2' ' HE2' ' A' ' 68' ' ' TYR . 73.4 mmtt . . . . . 0 N--CA 1.476 0.852 0 CA-C-O 121.11 0.481 . . . . 71.41 111.902 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.6 m-20 -69.4 98.96 1.15 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.111 -0.495 . . . . 64.23 112.313 -176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.58 107.24 18.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.511 0.672 . . . . 72.54 110.226 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 18.6 m-30 -92.38 124.12 36.2 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.07 -0.514 . . . . 70.51 111.17 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CE1' ' HG2' ' A' ' 66' ' ' ARG . 76.8 m-85 -78.4 99.36 6.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.152 0.501 . . . . 64.34 110.612 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' PHE . 31.9 m -111.69 176.01 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.908 -0.587 . . . . 71.24 111.45 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -134.89 142.65 46.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.704 0.288 . . . . 74.33 110.893 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.424 HD11 ' CD1' ' A' ' 65' ' ' LEU . 41.7 mm -74.61 99.98 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 112.399 0.518 . . . . 73.33 112.399 -176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -84.11 -65.03 1.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.899 0.38 . . . . 74.45 110.728 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.0 129.05 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.016 0.436 . . . . 72.12 111.43 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -131.1 167.78 18.54 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.096 0.474 . . . . 73.43 111.479 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.38 8.64 66.66 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 115.282 0.873 . . . . 75.05 115.282 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 7.8 mtpm? -69.4 91.11 0.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.906 0.853 . . . . 70.22 110.783 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.53 113.58 7.79 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.327 0.491 . . . . 72.44 112.327 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.16 85.46 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.8 0.809 . . . . 75.32 111.12 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.501 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 77.5 t60 . . . . . 0 CA--C 1.539 0.546 0 CA-C-N 115.713 -0.676 . . . . 64.24 111.492 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.7 p90 . . . . . 0 N--CA 1.471 0.584 0 CA-C-O 120.831 0.348 . . . . 72.15 111.019 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 47.4 mtmt -132.51 156.08 47.43 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.784 0.661 . . . . 74.23 112.784 -173.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.92 156.71 24.51 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.518 -0.764 . . . . 70.14 110.276 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -103.83 113.51 27.09 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.676 0.621 . . . . 71.24 112.676 -174.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.5 tt0 -76.96 138.35 39.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.65 -0.704 . . . . 74.25 112.075 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.475 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 95.4 m-85 -132.39 98.21 4.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.019 -0.537 . . . . 74.34 110.117 173.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -101.98 108.91 20.5 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.28 -0.418 . . . . 64.02 111.632 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.98 159.94 43.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.213 0.449 . . . . 62.32 112.213 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -103.89 139.96 38.34 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.794 0.331 . . . . 63.24 111.541 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -120.95 140.76 14.39 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.304 -0.474 . . . . 74.34 113.354 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -116.08 149.1 39.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.706 0.403 . . . . 74.1 110.581 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -167.52 164.49 14.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.719 0.636 . . . . 62.05 112.719 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.1 mttp 68.23 -79.32 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.799 1.037 . . . . 74.22 113.799 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.32 -21.82 1.56 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.529 0.566 . . . . 64.15 112.529 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.95 -0.62 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 C-N-CA 119.866 -1.159 . . . . 52.33 115.048 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.64 145.65 52.27 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.001 0.9 . . . . 71.03 111.373 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 13.3 pt-20 -135.75 136.35 40.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.194 0.521 . . . . 74.23 111.532 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -138.06 146.84 43.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.695 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.98 104.99 12.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.921 0.391 . . . . 71.41 111.109 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.12 83.0 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 74.33 110.616 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -98.91 105.34 17.47 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.509 -0.769 . . . . 72.21 110.984 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -121.49 169.52 10.56 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.217 0.532 . . . . 70.32 112.164 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -117.13 112.63 21.14 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.009 -0.541 . . . . 75.14 111.647 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.433 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -96.56 159.09 15.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.064 0.459 . . . . 61.44 111.026 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.3 -3.35 52.25 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.835 0.68 . . . . 74.15 112.835 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -169.22 165.48 10.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.859 0.361 . . . . 73.34 111.714 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.475 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 14.8 m120 -68.7 158.96 33.12 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.192 0.52 . . . . 73.42 112.331 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 pp -139.59 -172.38 3.36 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.898 -0.592 . . . . 63.44 111.024 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 106.53 3.82 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.35 0.595 . . . . 71.22 111.901 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -67.56 150.26 49.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.932 -0.576 . . . . 63.32 112.209 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 75.26 -20.59 0.34 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.784 0.834 . . . . 74.43 112.293 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.5 167.09 17.46 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.918 0.39 . . . . 71.52 111.617 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 49.3 m-85 -96.42 152.58 18.47 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.649 . . . . 74.32 112.351 -176.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 80' ' ' GLU . 52.0 mt -130.68 128.68 41.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.637 -0.71 . . . . 71.55 111.672 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 54.6 mtp180 -81.04 86.12 6.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.049 -0.723 . . . . 71.22 109.049 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -92.79 118.8 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.852 0.834 . . . . 63.34 112.25 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 47.9 t80 -71.16 119.23 15.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.408 -1.269 . . . . 74.34 110.804 176.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 41.4 t-80 -96.02 115.77 27.93 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.052 0.454 . . . . 64.53 111.743 -177.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.3 p -109.7 141.98 41.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.319 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.16 -15.25 62.98 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.054 0.454 . . . . 74.52 110.949 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -57.72 -69.83 0.16 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.675 -0.693 . . . . 71.55 111.593 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -136.7 35.53 2.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.229 -0.442 . . . . 62.4 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 78.15 -56.42 4.0 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.091 -0.575 . . . . 63.01 113.462 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.05 146.49 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 117.203 0.502 . . . . 64.01 112.282 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 34.6 t -127.24 -38.31 1.98 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.119 -0.491 . . . . 51.44 111.09 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.94 165.36 32.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.445 -0.343 . . . . 72.15 111.263 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 -153.95 134.86 13.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.451 0.537 . . . . 75.23 112.451 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.609 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 28.4 mt-10 -113.79 145.28 41.64 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.004 -0.543 . . . . 75.24 109.986 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.516 ' HA ' HD23 ' A' ' 65' ' ' LEU . 33.8 tt0 -97.02 134.34 40.51 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.793 -0.567 . . . . 62.54 112.272 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 m -147.37 170.67 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 116.048 -0.524 . . . . 75.4 111.309 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 63.3 mttp -111.76 164.62 12.86 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.398 -0.364 . . . . 60.1 110.641 173.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -66.61 -21.13 66.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.232 -0.587 . . . . 73.32 109.688 172.184 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.69 -14.03 61.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.097 -0.501 . . . . 74.24 111.074 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG3' ' HB2' ' A' ' 82' ' ' LYS . 30.5 mt-10 -108.61 8.32 27.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.859 0.362 . . . . 74.11 111.494 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 mt -106.53 127.41 28.23 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.428 -0.351 . . . . 74.42 111.207 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 34.9 Cg_exo -61.01 130.32 32.21 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.797 2.331 . . . . 43.34 113.1 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.85 -34.28 67.62 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.06 0.392 . . . . 71.1 112.06 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -56.96 -44.27 82.42 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.042 0.449 . . . . 74.54 111.087 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.55 -37.76 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.193 0.521 . . . . 72.34 110.634 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? . . . . . 0 CA--C 1.543 0.678 0 CA-C-N 115.948 -0.569 . . . . 73.21 111.114 177.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.47 0.538 0 CA-C-O 120.729 0.3 . . . . 60.0 110.574 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 13.3 m-20 -95.5 134.96 37.75 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.358 0.503 . . . . 72.41 112.358 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -140.67 132.84 28.05 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.382 -0.599 . . . . 74.0 109.382 165.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -120.23 133.96 55.37 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.966 0.413 . . . . 73.42 111.588 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -85.49 100.69 12.07 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.267 -0.424 . . . . 62.22 110.505 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.586 HG21 HD13 ' A' ' 39' ' ' LEU . 23.1 m -112.0 167.97 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.327 0.584 . . . . 71.53 112.166 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -112.45 158.06 20.32 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.822 -0.626 . . . . 74.13 110.571 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' HA ' ' A' ' 61' ' ' LYS . 46.3 mm -70.86 84.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.294 0.569 . . . . 64.12 110.668 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.9 p -71.9 -58.27 3.6 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.816 -0.629 . . . . 72.02 111.832 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.35 106.25 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-O 121.369 0.604 . . . . 73.34 111.595 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.52 149.07 25.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.102 -0.499 . . . . 72.35 111.194 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.04 9.53 66.85 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.057 -0.592 . . . . 72.32 114.28 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 12.2 tmtt? -77.42 84.92 3.83 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 117.337 0.569 . . . . 71.03 109.912 -177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 13.0 pt-20 -84.0 150.91 25.32 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.833 0.679 . . . . 74.23 112.833 -172.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 m -122.0 97.49 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 121.577 0.703 . . . . 65.31 111.483 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 85.9 t60 . . . . . 0 N--CA 1.467 0.425 0 CA-C-N 115.676 -0.693 . . . . 62.33 110.973 177.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.0 p90 . . . . . 0 CA--C 1.543 0.707 0 CA-C-O 120.911 0.386 . . . . 74.0 111.616 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.654 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 30.3 mtmt -147.36 117.89 7.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.072 0.397 . . . . 63.31 112.072 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -103.37 178.33 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.438 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 54' ' ' THR . 90.5 m-85 -115.4 150.13 36.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.68 0.276 . . . . 72.12 110.994 175.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 38.0 tt0 -119.77 106.86 12.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.052 0.453 . . . . 61.22 111.4 -172.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -90.8 89.41 7.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.545 0.688 . . . . 75.33 111.465 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.27 92.72 8.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.183 -0.917 . . . . 74.25 109.757 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.586 HD13 HG21 ' A' ' 13' ' ' VAL . 26.0 mt -114.61 166.69 11.45 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.938 0.718 . . . . 72.42 112.938 -168.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -116.44 110.89 19.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.904 -0.589 . . . . 73.31 110.275 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -92.44 137.64 13.8 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.096 -0.573 . . . . 74.13 112.865 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 67.1 m-85 -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 71.04 110.845 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.51 169.49 10.82 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.524 -0.762 . . . . 72.24 112.482 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.731 ' H ' ' HD3' ' A' ' 44' ' ' LYS . 2.4 mppt? -59.17 -25.18 63.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.01 -0.541 . . . . 65.45 111.591 -178.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.31 -10.99 36.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.964 0.357 . . . . 60.14 111.964 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.82 6.95 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.321 -0.466 . . . . 44.4 113.28 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 89.0 mttt -96.08 178.33 5.44 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 122.643 -0.327 . . . . 55.33 111.17 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -102.11 122.82 44.87 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.783 0.325 . . . . 63.23 110.896 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 50' ' ' GLU . 5.7 tmtm? -124.67 140.8 52.6 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.915 0.388 . . . . 63.51 110.098 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.594 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -84.4 121.66 27.86 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.831 0.348 . . . . 73.43 111.817 -176.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 50' ' ' GLU . 3.7 mm? -123.53 142.88 50.58 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.843 0.354 . . . . 65.34 110.997 176.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -156.51 125.91 6.17 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.779 0.323 . . . . 74.11 111.223 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -147.4 146.58 29.65 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.228 0.537 . . . . 61.24 111.678 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 71.5 p -93.65 117.23 29.81 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.026 -0.534 . . . . 75.21 111.513 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 137.93 35.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.923 0.392 . . . . 70.11 111.541 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 56' ' ' GLN . 7.9 pm0 -69.81 -21.49 63.39 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.215 0.531 . . . . 75.34 111.185 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.27 143.15 51.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.818 -0.628 . . . . 63.44 110.727 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -77.78 109.22 11.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.88 0.372 . . . . 63.41 110.254 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.82 168.62 11.19 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.224 0.535 . . . . 71.33 112.006 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -75.22 132.06 40.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.538 0.685 . . . . 71.41 112.47 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 61' ' ' LYS . 44.2 pttt -78.03 156.36 30.15 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.52 -0.764 . . . . 73.23 112.609 -177.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 39.5 tt0 73.52 3.51 4.57 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.891 0.877 . . . . 73.22 111.851 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.94 24.19 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.909 -0.494 . . . . 71.31 111.544 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HE1' ' HB3' ' A' ' 83' ' ' LYS . 79.1 m-85 -85.13 107.95 17.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.342 0.592 . . . . 72.41 110.752 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 78' ' ' TRP . 1.3 tt -90.38 115.79 27.83 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.864 -0.607 . . . . 71.41 111.148 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -81.65 97.13 7.74 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.796 0.332 . . . . 75.21 110.359 173.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -90.24 129.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.563 0.697 . . . . 64.31 111.862 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 68.8 t80 -94.04 122.9 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.196 -0.911 . . . . 74.33 111.587 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 52.1 t-80 -114.91 143.12 45.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.386 0.612 . . . . 75.4 111.788 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 73.0 m -138.42 152.35 48.29 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.282 -0.417 . . . . 61.2 111.046 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.71 -70.95 0.1 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.035 0.754 . . . . 71.45 113.035 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -88.12 24.05 1.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.334 0.494 . . . . 73.3 112.334 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.5 OUTLIER -138.94 -16.65 1.1 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.937 0.347 . . . . 64.31 111.937 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 65.23 -82.54 0.07 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.98 -0.628 . . . . 75.52 112.398 -175.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.68 144.09 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.975 0.388 . . . . 65.05 110.691 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 43.9 t -133.58 -39.31 0.9 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.175 0.435 . . . . 63.52 112.175 -178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.6 170.14 18.76 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.719 0.295 . . . . 62.21 111.719 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.72 ' HB2' HD21 ' A' ' 65' ' ' LEU . 27.5 p-90 -159.85 142.65 13.75 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.288 0.566 . . . . 72.04 112.47 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -129.42 149.88 51.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.051 -0.522 . . . . 72.21 110.753 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -115.14 117.77 31.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 122.138 -0.351 . . . . 74.51 111.819 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.36 168.64 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 120.811 0.339 . . . . 72.34 111.013 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -110.3 161.87 15.19 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.022 -0.424 . . . . 72.41 111.445 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HB3' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -56.07 -26.27 48.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.322 0.86 . . . . 73.04 113.322 -176.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . 0.543 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 28.4 t70 -61.7 -29.62 70.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.056 0.455 . . . . 73.1 112.066 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.23 2.73 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.574 0.583 . . . . 64.22 112.574 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.6 mt -106.1 141.64 23.16 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 112.126 0.417 . . . . 62.53 112.126 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.3 163.84 37.44 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.678 2.252 . . . . 75.02 112.863 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.78 -57.96 3.57 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.025 0.75 . . . . 75.51 113.025 -173.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -51.18 -32.97 25.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.817 1.043 . . . . 62.31 113.817 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.39 -45.22 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 120.97 0.414 . . . . 74.21 111.643 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt . . . . . 0 N--CA 1.471 0.589 0 CA-C-O 121.015 0.436 . . . . 72.32 111.178 -179.762 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER . . . . . 0 N--CA 1.473 0.685 0 N-CA-C 111.92 0.341 . . . . 74.04 111.92 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.79 121.32 36.96 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.397 0.888 . . . . 75.41 113.397 -169.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -97.31 114.67 26.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.037 -0.529 . . . . 60.21 110.024 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.24 121.31 34.47 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.044 0.449 . . . . 73.11 111.396 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -85.31 99.88 11.44 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.985 -0.552 . . . . 75.24 110.879 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 39' ' ' LEU . 30.7 m -128.12 152.13 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.93 -0.577 . . . . 74.51 111.111 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.56 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.9 pt20 -95.55 139.96 31.08 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.875 0.369 . . . . 73.23 110.894 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.487 HD11 HD13 ' A' ' 65' ' ' LEU . 46.2 mm -76.15 114.96 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.971 0.415 . . . . 74.12 111.365 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -102.42 -66.61 0.92 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.291 -0.413 . . . . 75.24 111.583 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.81 130.7 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.523 0.678 . . . . 74.43 112.802 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.31 -174.86 3.51 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.621 -0.718 . . . . 75.33 111.174 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.2 70.14 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.251 0.86 . . . . 63.14 115.251 173.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 25.5 mmtp -69.6 94.75 0.8 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.523 0.661 . . . . 73.13 111.722 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.67 107.28 12.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.133 -0.354 . . . . 60.32 111.748 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 34' ' ' ASP . 31.3 m -92.85 58.89 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.618 0.723 . . . . 73.43 111.385 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 . . . . . 0 N--CA 1.47 0.562 0 CA-C-N 115.854 -0.612 . . . . 75.22 110.92 -178.772 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 p90 . . . . . 0 CA--C 1.541 0.605 0 CA-C-O 120.733 0.302 . . . . 73.21 111.105 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -118.63 103.61 9.86 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.872 0.693 . . . . 72.2 112.872 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.4 m-20 -109.85 128.07 55.09 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.041 -0.527 . . . . 64.42 109.949 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 54' ' ' THR . 54.9 m-85 -89.29 114.73 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.772 0.286 . . . . 75.42 111.772 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 20.9 tt0 -78.78 139.7 38.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.949 0.404 . . . . 63.24 111.282 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HE1' ' HB3' ' A' ' 55' ' ' ALA . 93.8 m-85 -118.87 110.03 16.71 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.009 0.433 . . . . 72.54 110.402 174.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -96.57 113.05 24.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.956 -0.565 . . . . 70.22 111.292 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -152.12 167.82 27.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.99 0.424 . . . . 73.25 111.817 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.8 m -116.3 120.92 40.44 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.965 0.358 . . . . 75.33 111.965 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.09 147.1 18.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.401 -0.428 . . . . 70.31 112.408 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 96.6 m-85 -113.03 106.9 15.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 75.3 112.057 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.673 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 21.5 t70 -81.28 137.53 35.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.02 -0.536 . . . . 71.0 110.387 177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 20.6 ttmm 60.96 14.98 5.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.944 0.402 . . . . 73.22 110.925 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.2 5.51 4.71 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 121.191 0.52 . . . . 63.41 111.818 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.25 -42.53 0.18 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.208 -0.52 . . . . 41.15 113.455 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.673 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.4 mmtt -71.2 135.21 47.43 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.546 -0.385 . . . . 74.15 111.393 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.28 142.56 29.02 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.788 0.327 . . . . 74.14 111.025 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.707 ' HE3' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -144.16 130.02 19.35 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.058 0.456 . . . . 75.24 111.066 176.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.707 ' H ' ' HE3' ' A' ' 49' ' ' LYS . 4.2 mp0 -71.31 115.81 10.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.948 -0.569 . . . . 72.01 111.099 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.2 mp -113.55 117.97 33.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.052 0.453 . . . . 73.32 111.344 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -130.55 115.01 16.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.091 0.472 . . . . 75.3 110.964 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -127.13 160.87 29.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.026 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 70.2 p -115.86 145.72 42.62 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.544 0.572 . . . . 54.11 112.544 -176.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -133.99 163.26 29.93 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.007 -0.542 . . . . 35.44 111.055 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 -8.09 49.55 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.938 0.348 . . . . 65.12 111.938 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.31 169.77 17.6 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.406 -0.361 . . . . 74.01 111.265 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -73.33 143.54 46.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.947 0.403 . . . . 63.13 110.458 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.7 mt -105.91 -80.17 0.56 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.891 0.377 . . . . 72.55 111.425 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -151.88 173.93 14.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.229 -0.441 . . . . 74.55 111.087 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 29.5 mtpp -139.91 138.21 35.46 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.332 -0.618 . . . . 74.13 109.332 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 39.2 tt0 74.46 -36.29 0.32 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.693 0.397 . . . . 74.23 112.053 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.21 156.77 38.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.881 0.372 . . . . 35.21 111.662 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.56 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 94.6 m-85 -89.88 166.8 13.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.45 0.643 . . . . 73.33 111.888 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 78' ' ' TRP . 3.9 tt -154.87 126.71 7.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.002 -0.544 . . . . 64.23 110.361 -176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -80.47 96.35 6.73 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.467 -0.333 . . . . 72.42 110.526 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.1 t -88.22 121.11 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.607 0.717 . . . . 73.54 111.819 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -79.2 106.44 11.24 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.97 -1.014 . . . . 63.31 111.283 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.94 114.42 21.21 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.037 -0.529 . . . . 72.2 111.812 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.03 173.64 4.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.184 -0.462 . . . . 60.01 110.485 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -50.83 -42.43 58.43 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.03 0.382 . . . . 65.04 112.03 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -110.83 -72.21 0.73 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.136 0.494 . . . . 64.44 112.147 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -156.73 -156.04 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.179 -172.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.38 3.17 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.43 0.532 . . . . 64.12 114.43 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.6 t 72.48 114.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.422 0.63 . . . . 73.11 111.816 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.4 t -86.32 -28.73 23.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.491 0.552 . . . . 20.32 112.491 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.3 166.96 30.18 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.335 0.494 . . . . 72.54 112.335 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.693 ' HB2' HD21 ' A' ' 65' ' ' LEU . 43.3 p-90 -162.29 140.93 9.06 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.615 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.75 144.06 50.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.57 0.348 . . . . 71.44 111.22 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -98.72 131.5 44.83 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.043 0.449 . . . . 73.52 111.762 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -146.72 134.03 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 121.112 0.482 . . . . 73.34 111.97 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -92.57 159.17 15.61 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.848 -0.533 . . . . 74.05 110.802 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -18.12 60.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 75.14 111.019 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.81 -38.39 79.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.884 -0.598 . . . . 65.21 110.765 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.4 -34.41 54.82 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.745 -0.661 . . . . 73.12 111.137 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -70.51 147.88 95.03 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.9 -0.591 . . . . 63.1 111.804 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.413 ' HG2' HG23 ' A' ' 90' ' ' VAL . 37.9 Cg_endo -65.97 147.6 84.85 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.492 2.128 . . . . 64.5 113.095 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.19 -28.82 43.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.331 -0.395 . . . . 73.43 111.911 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -50.34 -38.59 42.75 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.15 0.426 . . . . 61.24 112.15 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.413 HG23 ' HG2' ' A' ' 87' ' ' PRO . 60.0 t -69.41 -55.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.069 0.461 . . . . 52.45 111.462 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 N--CA 1.47 0.55 0 CA-C-O 120.816 0.341 . . . . 71.32 111.617 -179.486 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? . . . . . 0 CA--C 1.537 0.458 0 N-CA-C 109.463 -0.569 . . . . 71.14 109.463 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -79.61 174.58 11.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.418 0.896 . . . . 71.43 113.418 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.4 161.4 22.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.159 -0.928 . . . . 74.32 111.191 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -140.88 120.95 13.72 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.516 -0.311 . . . . 73.44 111.13 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.26 100.37 5.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.406 0.622 . . . . 71.35 110.704 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.53 HG11 HD13 ' A' ' 39' ' ' LEU . 12.2 m -90.94 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.467 -0.788 . . . . 61.4 110.818 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -129.37 127.03 40.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.911 -0.586 . . . . 74.34 109.697 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 65' ' ' LEU . 44.4 mm -63.97 89.93 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.216 0.532 . . . . 63.53 111.693 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.0 p -80.32 -63.97 1.29 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.595 -0.729 . . . . 65.34 111.308 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.62 122.71 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.343 0.592 . . . . 72.13 111.674 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -130.29 163.01 27.71 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.04 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.58 50.28 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.98 -0.629 . . . . 34.44 114.045 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.686 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 1.4 tmtp? -77.37 111.46 13.07 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.475 -0.426 . . . . 62.32 110.493 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.63 147.12 23.51 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.177 0.513 . . . . 73.22 111.895 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.36 106.99 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.78 0.8 . . . . 72.3 111.464 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 t60 . . . . . 0 CA--C 1.552 1.058 0 CA-C-N 115.143 -0.935 . . . . 73.2 111.204 173.504 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 . . . . . 0 CA--C 1.542 0.659 0 N-CA-C 112.092 0.404 . . . . 72.42 112.092 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 10.2 mtmp? -138.67 147.25 42.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.923 0.489 . . . . 74.24 111.085 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.05 171.72 7.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.125 0.488 . . . . 64.32 111.229 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -110.5 148.62 31.73 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.017 172.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.686 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 40.0 tt0 -129.67 146.58 51.44 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.384 0.513 . . . . 71.44 112.384 -172.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -129.57 109.8 11.31 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.076 -0.511 . . . . 72.34 111.949 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -103.1 107.43 18.24 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.416 -0.587 . . . . 72.2 109.416 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.53 HD13 HG11 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -143.66 152.03 40.83 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.187 0.81 . . . . 73.02 113.187 -170.321 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.456 ' OG1' ' HG2' ' A' ' 50' ' ' GLU . 83.2 m -100.85 133.01 45.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.716 -0.674 . . . . 62.34 111.414 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.482 ' CA ' HG12 ' A' ' 13' ' ' VAL . . . -113.61 145.37 18.38 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.246 -0.502 . . . . 61.04 113.201 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.99 124.59 47.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.33 0.252 . . . . 70.12 111.083 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -155.38 -178.34 7.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.838 0.351 . . . . 74.32 110.881 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? 70.68 -79.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.499 0.719 . . . . 73.53 111.316 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -159.24 69.5 0.45 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.45 0.643 . . . . 61.03 110.605 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.16 39.19 96.91 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.706 -0.679 . . . . 75.12 112.529 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -111.8 129.76 56.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.499 0.319 . . . . 75.55 110.533 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.82 157.16 17.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.633 0.73 . . . . 72.21 112.267 -175.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -157.28 131.42 8.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 71.03 110.485 172.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.456 ' HG2' ' OG1' ' A' ' 40' ' ' THR . 44.2 mt-10 -90.55 114.32 26.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.72 0.295 . . . . 74.43 111.357 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 51' ' ' LEU . 2.9 mm? -102.66 153.15 20.4 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.086 0.469 . . . . 63.33 111.364 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.59 124.38 35.75 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.535 . . . . 64.42 111.029 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.28 159.55 44.28 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.968 0.413 . . . . 71.4 111.336 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.1 p -115.06 151.06 34.93 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.019 0.438 . . . . 70.5 111.405 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.36 156.32 46.85 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.994 0.426 . . . . 62.33 111.693 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.98 -33.93 76.95 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.696 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -138.35 172.95 12.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.001 -0.545 . . . . 71.41 111.265 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -79.06 106.7 11.28 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.585 -0.524 . . . . 75.12 109.585 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.94 -80.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.58 0.585 . . . . 74.43 112.58 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -177.09 115.67 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.866 0.365 . . . . 55.31 110.584 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -74.92 158.3 33.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.282 0.845 . . . . 70.03 113.282 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 70.82 0.51 3.37 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.732 1.012 . . . . 71.22 113.732 172.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.29 172.66 7.02 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.982 0.42 . . . . 63.13 111.698 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -93.06 159.62 15.22 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.091 0.472 . . . . 74.44 110.859 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 78' ' ' TRP . 6.6 tt -156.79 125.77 5.94 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.003 0.43 . . . . 73.44 111.072 -175.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -80.75 105.98 12.4 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.79 0.329 . . . . 71.15 111.064 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -92.5 129.25 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 71.43 110.84 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 17.8 t80 -89.27 111.53 22.37 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.84 -0.618 . . . . 75.33 111.302 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.52 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 50.9 t-80 -99.16 121.35 40.9 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.599 0.592 . . . . 65.21 112.599 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -110.26 165.79 11.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.097 -0.501 . . . . 73.11 111.318 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.3 -72.61 0.07 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.039 0.755 . . . . 74.43 113.039 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -95.81 -28.47 14.72 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.04 -0.412 . . . . 75.41 112.023 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.49 -23.59 62.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.1 0.476 . . . . 74.44 111.928 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.28 -70.85 2.34 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.846 -0.692 . . . . 62.11 112.458 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 82.1 t -129.81 118.15 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.185 0.517 . . . . 55.41 112.043 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 m -88.26 -40.02 13.97 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.086 -0.507 . . . . 71.03 111.61 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.38 -179.99 7.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.307 -0.406 . . . . 53.44 110.902 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.888 ' HB2' HD21 ' A' ' 65' ' ' LEU . 37.8 p-90 -155.38 145.12 21.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.943 0.401 . . . . 74.43 111.984 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -125.06 139.69 53.56 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.269 -0.423 . . . . 75.3 110.768 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -99.22 128.79 45.4 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.775 0.322 . . . . 71.31 110.647 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.1 141.7 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 121.395 0.617 . . . . 75.51 112.317 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.26 160.58 28.78 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.238 0.542 . . . . 72.52 111.58 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -58.56 -41.87 86.65 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.886 -0.597 . . . . 74.52 110.7 176.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.55 -18.05 65.15 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.366 0.506 . . . . 74.12 112.366 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.67 -7.81 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.663 0.268 . . . . 71.51 111.59 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -101.75 140.07 20.9 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.836 -0.166 . . . . 55.24 111.12 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.449 ' O ' HG22 ' A' ' 90' ' ' VAL . 42.9 Cg_endo -66.93 144.81 71.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.425 2.083 . . . . 72.34 112.548 178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.64 -24.93 3.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.188 0.811 . . . . 74.51 113.188 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 7.9 mptt -57.14 -26.79 61.12 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.383 0.512 . . . . 75.13 112.383 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 87' ' ' PRO . 18.7 m -68.93 -27.39 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 120.97 0.414 . . . . 73.11 111.089 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 CA--C 1.54 0.574 0 CA-C-N 116.192 -0.458 . . . . 75.31 111.357 179.769 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.472 0.628 0 CA-C-O 120.97 0.414 . . . . 75.13 111.512 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.53 165.11 15.08 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.945 -0.57 . . . . 72.55 112.13 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.752 ' HG3' ' HD3' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -100.61 126.92 47.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.227 0.537 . . . . 73.12 110.572 172.363 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 1.7 m-85 -93.33 135.88 34.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.797 0.332 . . . . 73.44 111.686 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 92.2 m-85 -84.17 109.68 17.93 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.582 -0.281 . . . . 75.21 110.895 177.454 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' HA2' ' A' ' 41' ' ' GLY . 16.6 m -116.74 142.19 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.267 0.556 . . . . 73.21 111.679 178.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -106.38 127.84 53.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.601 -0.727 . . . . 70.41 110.542 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.645 HD11 HD12 ' A' ' 65' ' ' LEU . 49.2 mm -67.64 110.01 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.347 0.499 . . . . 71.13 112.347 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -111.42 -66.64 1.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.873 -0.603 . . . . 41.42 111.591 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -90.58 124.77 43.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.227 0.537 . . . . 72.42 112.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -131.97 179.35 6.14 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.077 0.465 . . . . 72.13 112.024 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.58 8.34 62.95 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 115.113 0.805 . . . . 61.14 115.113 170.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -83.02 94.51 7.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.866 0.833 . . . . 63.02 111.302 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.18 131.51 39.39 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.266 0.555 . . . . 75.01 112.056 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.3 m -86.56 81.14 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.981 0.896 . . . . 64.2 110.802 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.9 t60 . . . . . 0 CA--C 1.541 0.622 0 CA-C-N 115.401 -0.818 . . . . 65.13 110.831 -179.62 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.6 p90 . . . . . 0 N--CA 1.47 0.547 0 CA-C-O 120.735 0.302 . . . . 75.52 110.649 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -143.68 113.57 7.18 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.277 0.473 . . . . 73.54 112.277 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' HG22 ' A' ' 22' ' ' VAL . 77.3 m-20 -102.26 139.89 37.26 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 110.188 -0.301 . . . . 45.41 110.188 169.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -82.47 109.63 16.86 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.234 0.54 . . . . 63.44 110.809 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 13.2 tt0 -83.69 132.01 34.9 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.726 0.639 . . . . 74.01 112.726 -175.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -107.92 98.96 8.47 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.965 -0.561 . . . . 73.45 110.16 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -99.32 105.44 17.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.114 0.483 . . . . 74.31 111.025 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.33 171.3 14.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.079 0.466 . . . . 63.33 112.14 -175.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -96.21 125.63 40.86 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.847 0.356 . . . . 64.34 111.573 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -100.99 134.4 11.68 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 121.466 -0.397 . . . . 74.24 112.622 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.31 142.6 27.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.241 0.544 . . . . 73.22 111.273 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.809 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 19.8 t0 -127.96 132.16 49.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.788 -0.642 . . . . 64.21 112.585 -166.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 47.54 -94.48 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.936 1.087 . . . . 70.2 113.936 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -108.8 20.27 18.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.451 0.538 . . . . 54.43 112.451 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.82 11.11 7.93 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.027 -0.606 . . . . 71.43 113.852 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 29.9 mmmt -69.61 160.94 30.62 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.881 0.34 . . . . 72.45 110.166 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.62 123.25 26.05 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.345 0.593 . . . . 64.43 112.474 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.0 146.1 48.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.923 -0.58 . . . . 74.24 110.187 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.83 120.78 26.47 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.928 0.394 . . . . 63.43 111.185 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.85 121.17 43.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.282 -0.417 . . . . 64.21 110.87 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -126.85 117.94 23.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.94 0.4 . . . . 74.14 110.786 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.549 ' HB3' HG11 ' A' ' 75' ' ' VAL . 42.6 p90 -127.37 135.41 50.45 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.992 0.425 . . . . 64.13 111.551 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 58.0 p -94.8 109.74 21.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 75.42 111.25 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.99 141.75 30.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.263 -0.426 . . . . 60.32 111.362 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -69.87 -3.95 18.14 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.248 0.462 . . . . 61.32 112.248 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -160.24 174.7 13.83 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.744 0.307 . . . . 72.53 111.034 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.0 131.46 34.46 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.76 0.314 . . . . 73.44 110.81 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.85 -176.24 3.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.954 0.407 . . . . 72.53 112.091 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 60' ' ' ARG . 3.6 mpt_? -64.45 112.71 3.25 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.269 0.556 . . . . 74.4 111.943 -177.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -85.78 155.63 20.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.525 . . . . 71.0 111.474 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.99 11.02 8.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.959 0.504 . . . . 75.42 111.573 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.12 178.31 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.777 0.323 . . . . 51.21 111.173 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -116.12 142.73 46.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.36 0.6 . . . . 74.33 111.658 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 15' ' ' ILE . 52.7 mt -125.15 130.52 52.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.328 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.752 ' HD3' ' HG3' ' A' ' 10' ' ' GLU . 50.9 mtt180 -82.89 93.67 7.55 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.659 -0.497 . . . . 72.43 109.659 168.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -91.31 125.74 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.488 0.661 . . . . 65.41 112.012 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.03 119.19 13.86 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.945 -1.025 . . . . 65.1 111.31 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 45.4 t-80 -112.12 118.26 34.88 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.118 0.485 . . . . 54.4 112.087 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 m -97.65 -167.48 1.53 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.077 -0.51 . . . . 64.5 111.116 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -59.33 3.42 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.913 0.709 . . . . 51.41 112.913 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 49.0 pttt -82.87 -62.2 1.66 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 120.887 0.375 . . . . 71.24 111.26 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.57 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 31.6 mtmm -154.67 -50.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.176 0.59 . . . . 71.11 110.224 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.88 -78.67 1.36 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.173 -0.537 . . . . 72.55 113.135 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 53' ' ' PHE . 14.2 t 53.2 35.53 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.65 0.738 . . . . 65.34 111.273 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 m -58.85 -23.76 61.19 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.012 -0.54 . . . . 74.44 112.032 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.02 130.35 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.916 0.339 . . . . 74.04 111.916 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -120.11 128.93 53.91 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.376 -0.374 . . . . 73.54 110.062 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -117.66 141.0 48.89 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.217 0.532 . . . . 71.34 111.902 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.6 tt0 -81.34 97.04 7.51 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.652 -0.704 . . . . 71.4 112.273 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.03 142.96 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.316 0.579 . . . . 65.15 111.256 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -114.83 172.19 7.19 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.266 0.555 . . . . 73.1 111.457 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.48 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -10.02 0.35 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.118 1.155 . . . . 65.03 114.118 -176.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.56 -40.73 75.69 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.495 0.554 . . . . 62.32 112.495 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.31 -0.24 44.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.786 0.661 . . . . 73.2 112.786 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -86.2 124.25 70.46 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 111.854 0.316 . . . . 74.04 111.854 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.63 ' O ' HG12 ' A' ' 90' ' ' VAL . 36.2 Cg_endo -65.43 126.41 16.18 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.346 2.031 . . . . 71.03 112.448 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.81 -41.63 3.3 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.312 0.856 . . . . 52.44 113.312 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -61.89 -35.26 77.83 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.725 0.639 . . . . 73.14 112.725 -177.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 87' ' ' PRO . 4.2 p -65.49 -21.03 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.912 -0.492 . . . . 64.11 111.139 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.9 tttp . . . . . 0 CA--C 1.542 0.644 0 CA-C-N 116.178 -0.465 . . . . 51.32 111.405 179.321 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp . . . . . 0 N--CA 1.469 0.49 0 CA-C-O 121.267 0.556 . . . . 72.14 111.368 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -75.1 145.48 42.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.452 0.644 . . . . 73.41 112.121 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.21 129.22 49.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.625 -0.716 . . . . 64.42 110.221 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.08 143.58 35.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.102 0.477 . . . . 54.22 112.012 -172.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -99.72 100.29 11.24 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.075 0.464 . . . . 61.41 110.863 174.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' HA2' ' A' ' 41' ' ' GLY . 33.1 m -98.36 -179.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.203 -0.453 . . . . 45.25 110.758 177.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.2 pt20 -133.47 145.46 50.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.941 0.401 . . . . 75.52 111.228 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.702 HD11 HD12 ' A' ' 65' ' ' LEU . 43.5 mm -88.48 95.77 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.103 0.478 . . . . 74.11 111.75 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -97.19 -61.53 1.39 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.128 -0.487 . . . . 61.41 111.111 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -90.44 127.02 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.284 0.564 . . . . 62.31 112.169 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -131.63 -173.73 3.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.871 -0.604 . . . . 55.13 111.347 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 35' ' ' TYR . . . 72.37 8.8 71.72 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 115.091 0.796 . . . . 55.24 115.091 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 74.3 mmtt -73.45 71.25 1.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.823 0.811 . . . . 61.44 111.213 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 50.8 mt-10 -70.37 124.73 24.9 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.949 0.404 . . . . 73.43 111.773 -177.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.04 58.56 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.851 0.834 . . . . 70.24 111.251 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 . . . . . 0 CA--C 1.542 0.65 0 CA-C-N 115.667 -0.697 . . . . 75.02 111.235 -175.383 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 . . . . . 0 N--CA 1.471 0.602 0 N-CA-C 112.193 0.442 . . . . 51.31 112.193 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -165.33 59.37 0.12 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.69 0.757 . . . . 74.4 110.272 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 3.8 m-20 -112.27 148.38 34.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 70.14 110.984 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.415 ' HD2' ' HA2' ' A' ' 19' ' ' GLY . 37.9 m-85 -84.93 108.96 17.81 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.154 0.502 . . . . 73.11 112.009 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 43.9 tt0 -87.89 150.65 23.37 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.962 -0.563 . . . . 52.52 111.665 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 80.6 m-85 -129.42 113.59 15.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.446 -0.343 . . . . 74.45 111.797 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.24 97.6 10.0 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 110.014 -0.365 . . . . 71.3 110.014 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.5 mt -111.86 147.76 35.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.128 0.489 . . . . 45.51 112.267 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -102.47 122.23 43.92 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.756 0.312 . . . . 75.11 110.92 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -104.24 146.73 16.33 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 121.354 -0.451 . . . . 75.22 112.897 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -111.94 124.48 52.47 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.18 0.514 . . . . 74.2 111.347 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 28.0 t70 -69.72 154.87 41.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.871 -0.604 . . . . 70.22 111.979 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -62.91 -13.94 40.55 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.937 0.718 . . . . 74.15 112.937 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -102.01 -11.16 19.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.051 0.453 . . . . 75.35 111.132 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.81 45.94 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 121.371 -0.442 . . . . 62.34 113.817 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.426 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 56.3 mttp -119.75 168.04 11.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.954 0.377 . . . . 75.31 110.924 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -100.55 145.06 28.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.941 0.401 . . . . 74.01 111.798 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -139.54 141.54 37.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.339 -0.391 . . . . 53.42 110.465 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 44.9 tt0 -90.32 116.21 28.1 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.046 0.387 . . . . 74.21 112.046 -178.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 67' ' ' VAL . 2.8 mm? -110.19 141.94 42.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.582 0.353 . . . . 71.32 111.046 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -159.44 140.05 12.3 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.084 -0.385 . . . . 53.42 111.223 175.4 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -161.34 155.28 22.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.858 0.361 . . . . 74.43 111.41 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 50.4 p -104.64 121.38 43.43 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.482 -0.326 . . . . 74.54 111.588 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.91 149.11 32.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.737 0.415 . . . . 71.11 110.744 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -74.46 -14.58 60.85 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.969 0.414 . . . . 64.01 112.046 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -148.36 152.34 36.87 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.661 -0.245 . . . . 73.04 110.814 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 78.1 m-20 -60.16 144.55 49.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.911 0.386 . . . . 71.23 110.801 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.69 -73.12 0.46 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.289 -0.414 . . . . 71.14 112.055 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.671 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 12.4 ttm-85 -168.73 169.17 10.21 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.626 0.25 . . . . 63.34 110.594 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.7 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -96.99 136.2 37.91 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 122.096 -0.377 . . . . 64.41 111.802 173.677 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.16 -21.15 0.23 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.394 0.887 . . . . 74.41 113.394 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.671 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . . . -68.76 163.33 24.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.175 0.512 . . . . 62.25 112.181 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 85.3 m-85 -99.74 164.71 11.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.357 0.598 . . . . 62.21 111.755 -175.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 78' ' ' TRP . 2.0 tt -141.1 118.91 11.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.174 0.511 . . . . 72.34 110.763 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -82.74 95.69 7.94 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.841 -0.618 . . . . 60.32 110.937 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.574 HG21 ' HG ' ' A' ' 51' ' ' LEU . 31.2 m -95.65 142.79 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 121.766 0.793 . . . . 64.44 112.28 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.79 115.1 29.79 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.965 -1.016 . . . . 65.52 111.737 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -83.85 106.63 15.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.853 0.358 . . . . 53.21 111.275 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -87.7 -167.06 1.76 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.989 0.423 . . . . 42.45 111.655 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.86 -11.02 59.98 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.026 0.441 . . . . 73.33 111.802 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -100.64 23.26 10.66 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.393 -0.367 . . . . 64.41 111.747 -171.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.53 173.79 0.1 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.596 0.713 . . . . 73.21 112.879 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 50' ' ' GLU . . . 55.45 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 CA-C-N 115.306 -0.861 . . . . 35.23 113.659 -176.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 76' ' ' SER . 13.5 p 179.88 165.96 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.892 0.346 . . . . 73.13 110.709 -174.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 75' ' ' VAL . 50.5 m -138.12 -57.45 0.66 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.889 0.376 . . . . 71.2 110.87 174.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.21 150.32 23.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.297 -0.411 . . . . 64.03 111.109 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.722 ' HB2' HD21 ' A' ' 65' ' ' LEU . 70.3 p-90 -152.37 145.97 24.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.203 0.525 . . . . 73.13 112.28 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 65' ' ' LEU . 25.5 mt-10 -131.28 130.36 42.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.765 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.85 116.69 22.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.854 0.359 . . . . 71.1 110.087 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.82 147.27 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.489 0.661 . . . . 65.31 112.552 -171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -78.31 140.23 38.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.666 . . . . 74.5 112.045 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.413 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -63.5 -17.49 62.81 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.915 -0.584 . . . . 71.04 111.34 177.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.4 -28.01 69.39 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.774 0.657 . . . . 64.31 112.774 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -87.18 -6.17 58.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.514 0.561 . . . . 74.24 112.514 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.0 mt -90.39 123.11 66.38 Favored Pre-proline 0 CA--C 1.541 0.602 0 O-C-N 122.169 -0.332 . . . . 74.0 111.68 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.0 166.08 30.31 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.548 2.165 . . . . 71.12 112.65 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.13 44.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.285 0.476 . . . . 64.42 112.285 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -55.74 -44.98 78.08 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.118 -0.492 . . . . 65.03 111.83 179.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.8 t -87.86 -44.27 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.389 -0.369 . . . . 62.4 111.796 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 78.4 tttt . . . . . 0 CA--C 1.539 0.524 0 N-CA-C 112.416 0.524 . . . . 72.31 112.416 -177.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt . . . . . 0 CA--C 1.537 0.445 0 CA-C-O 120.989 0.423 . . . . 62.42 111.017 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.48 140.18 34.75 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.939 0.4 . . . . 72.31 111.758 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.87 137.88 49.57 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.869 0.366 . . . . 72.43 110.708 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -113.03 137.85 50.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.872 0.368 . . . . 74.32 111.827 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . 0.464 ' CD1' HD21 ' A' ' 86' ' ' LEU . 48.4 m-85 -88.93 105.48 17.79 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.975 0.417 . . . . 73.04 111.483 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -127.94 168.34 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.404 -0.362 . . . . 61.31 110.615 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -133.62 170.38 15.61 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.698 0.285 . . . . 61.42 110.831 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.541 ' HB ' ' O ' ' A' ' 61' ' ' LYS . 44.7 mm -72.12 92.96 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 121.3 0.571 . . . . 54.25 111.681 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.9 p -74.15 -64.56 0.99 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.969 -0.56 . . . . 73.34 110.57 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.7 m -98.8 129.4 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.993 -0.549 . . . . 72.42 111.113 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.84 171.03 9.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.054 0.454 . . . . 71.33 111.4 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.33 10.06 73.93 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 114.605 0.602 . . . . 73.13 114.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 57.4 tptt -69.14 76.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.373 0.606 . . . . 55.54 109.957 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.35 105.68 16.18 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.901 -0.59 . . . . 72.42 110.539 -177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.6 m -69.35 84.25 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.987 0.899 . . . . 74.32 111.888 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.9 m80 . . . . . 0 CA--C 1.539 0.523 0 CA-C-N 115.193 -0.912 . . . . 72.13 111.242 176.688 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 . . . . . 0 N--CA 1.468 0.47 0 CA-C-O 120.652 0.263 . . . . 73.1 111.323 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -148.27 61.9 1.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.254 -0.43 . . . . 72.02 111.04 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -95.76 160.01 14.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.927 0.394 . . . . 73.3 111.399 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 92.7 m-85 -97.35 123.3 41.13 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.453 -0.34 . . . . 73.5 110.602 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -111.12 138.07 48.01 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.742 0.306 . . . . 75.11 110.949 -171.741 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 61.0 m-85 -123.89 95.39 4.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.151 0.5 . . . . 72.43 111.803 -175.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 8.3 tppt? -79.53 93.19 5.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.071 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -114.2 137.58 51.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 75.51 111.92 -172.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -96.88 114.26 25.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.785 0.326 . . . . 64.21 110.968 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.82 129.85 10.06 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.438 -0.41 . . . . 75.03 112.697 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 98.5 m-85 -90.69 136.54 33.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.06 0.457 . . . . 74.42 111.753 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -87.43 177.62 7.05 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.349 -0.387 . . . . 62.44 111.063 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -65.19 -31.95 73.38 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.757 1.021 . . . . 63.4 113.757 -169.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.41 -4.39 59.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.897 -0.502 . . . . 74.12 111.419 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.76 8.72 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.239 -0.505 . . . . 62.21 112.647 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 72.1 mmtt -77.64 160.65 28.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.404 0.282 . . . . 62.54 110.847 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -111.52 107.91 17.26 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.393 0.616 . . . . 74.41 111.601 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HZ2' ' HB2' ' A' ' 49' ' ' LYS . 4.8 ttmp? -110.61 137.46 48.26 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.882 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.87 125.23 35.68 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.086 0.402 . . . . 65.43 112.086 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.98 167.5 15.22 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.176 0.512 . . . . 74.13 111.561 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 38' ' ' LYS . 11.0 pt-20 -168.11 159.37 10.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.16 -0.473 . . . . 63.0 110.798 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -172.77 148.35 1.85 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.133 0.492 . . . . 74.03 112.207 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.514 HG22 ' HG2' ' A' ' 36' ' ' GLU . 63.0 p -101.56 123.05 44.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.195 0.522 . . . . 73.52 112.069 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.69 136.5 38.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.352 -0.386 . . . . 71.12 110.735 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.76 -31.14 61.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.875 0.369 . . . . 43.24 111.125 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -123.67 162.96 22.02 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.136 -0.483 . . . . 73.22 111.324 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.34 85.28 5.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.314 0.578 . . . . 72.11 109.909 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.09 -176.57 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.956 0.724 . . . . 61.31 112.956 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -57.44 108.04 0.5 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.947 -0.57 . . . . 75.13 111.695 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 57.8 mttp -67.51 -35.73 79.67 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.048 -0.524 . . . . 63.24 112.39 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.58 6.91 32.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.08 0.4 . . . . 72.15 112.08 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.01 23.06 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 65.3 111.861 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -100.6 113.44 26.27 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.29 0.566 . . . . 72.41 110.951 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 80' ' ' GLU . 96.0 mt -89.94 119.38 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.583 . . . . 73.44 111.649 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 31.8 mtp180 -80.78 90.07 5.82 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.942 -0.572 . . . . 75.21 109.787 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.5 m -81.49 141.84 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 64.54 112.725 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.539 ' HD2' ' HG ' ' A' ' 70' ' ' SER . 80.3 t80 -90.77 122.76 33.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.608 -1.178 . . . . 63.41 112.173 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -74.78 89.68 2.31 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.124 0.488 . . . . 70.3 110.361 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.539 ' HG ' ' HD2' ' A' ' 68' ' ' TYR . 42.8 m -80.0 156.51 27.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.842 -0.617 . . . . 54.21 112.441 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.48 -43.19 75.34 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.643 -0.708 . . . . 74.14 111.645 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -81.77 7.4 12.71 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.655 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER 64.4 164.45 0.14 Allowed 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.078 0.466 . . . . 74.0 111.297 -179.481 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . 0.615 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . 73.79 20.55 79.77 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.17 -1.014 . . . . 61.14 114.163 174.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.5 t 69.28 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 N-CA-C 113.745 1.017 . . . . 74.25 113.745 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -111.75 -23.33 10.68 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.777 -0.647 . . . . 65.15 110.637 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.79 159.81 37.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.018 -0.537 . . . . 71.04 111.138 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CE3' HD22 ' A' ' 65' ' ' LEU . 44.7 p-90 -146.89 148.06 31.43 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.066 0.46 . . . . 52.21 111.477 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 31.9 mt-10 -109.43 138.99 44.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.795 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.522 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.8 tt0 -99.08 106.86 19.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.919 0.39 . . . . 62.44 111.701 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -129.55 176.68 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.833 0.349 . . . . 52.44 110.835 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 171.84 7.93 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.302 0.572 . . . . 74.21 111.786 175.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.45 ' N ' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -58.13 -11.96 3.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.552 0.575 . . . . 75.42 112.552 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.46 -15.88 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.088 0.773 . . . . 64.24 113.088 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.64 -1.03 30.97 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.738 -0.602 . . . . 60.2 111.465 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 12' ' ' TYR . 91.4 mt -93.02 130.65 35.44 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.416 0.524 . . . . 72.55 112.416 -175.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.543 ' O ' HG12 ' A' ' 90' ' ' VAL . 60.8 Cg_endo -72.99 122.23 7.95 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.528 2.152 . . . . 65.31 112.004 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.05 -22.77 1.74 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.751 0.649 . . . . 65.24 112.751 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -46.51 -45.16 18.29 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 75.44 112.117 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 87' ' ' PRO . 14.5 p -62.9 -36.77 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 120.86 0.362 . . . . 63.34 111.596 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp . . . . . 0 CA--C 1.539 0.531 0 CA-C-O 121.246 0.546 . . . . 72.14 110.868 179.406 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.523 ' HB3' ' HE1' ' A' ' 68' ' ' TYR . 29.5 mtmt . . . . . 0 CA--C 1.534 0.327 0 CA-C-O 121.237 0.541 . . . . 75.15 110.381 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.559 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 3.4 m-20 -87.69 171.89 10.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.756 -0.656 . . . . 71.53 111.669 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.5 99.98 2.23 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.725 0.774 . . . . 75.13 110.316 173.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.99 136.8 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 73.31 111.913 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -89.77 98.7 11.92 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.138 -0.69 . . . . 51.34 109.138 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.055 0.455 . . . . 70.01 112.224 -173.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.5 pt20 -81.21 150.31 28.68 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.936 0.398 . . . . 73.42 111.583 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HB ' ' H ' ' A' ' 62' ' ' GLU . 48.8 mm -64.64 118.62 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.182 0.438 . . . . 75.14 112.182 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -77.6 -63.43 1.38 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.877 -0.602 . . . . 74.04 110.642 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.82 148.92 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.062 -0.517 . . . . 71.33 111.454 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.97 178.95 6.28 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.344 -0.389 . . . . 71.21 110.962 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.39 55.32 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.977 -0.63 . . . . 40.12 114.351 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -87.11 130.92 34.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.629 0.714 . . . . 64.03 110.085 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.59 166.2 10.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.407 0.622 . . . . 72.21 112.454 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 36' ' ' GLU . 15.5 m -118.53 65.57 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.798 -0.637 . . . . 71.13 112.164 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 27.1 t60 . . . . . 0 N--CA 1.469 0.484 0 CA-C-O 121.091 0.472 . . . . 53.2 110.782 175.821 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.4 p90 . . . . . 0 N--CA 1.474 0.749 0 N-CA-C 111.943 0.349 . . . . 71.0 111.943 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -131.92 107.16 8.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.906 0.384 . . . . 75.43 111.895 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 22' ' ' VAL . 4.3 m-20 -115.85 138.09 51.49 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.404 -0.591 . . . . 71.23 109.404 172.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 54' ' ' THR . 73.0 m-85 -88.29 146.67 25.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.755 0.65 . . . . 65.01 112.755 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.54 ' HB2' HG13 ' A' ' 22' ' ' VAL . 33.7 tt0 -112.03 117.89 33.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 74.12 111.644 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -109.06 101.12 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.063 0.458 . . . . 65.51 110.978 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.93 125.68 51.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.951 -0.568 . . . . 65.23 111.046 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.09 161.5 36.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.132 0.491 . . . . 54.43 112.042 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 84.1 m -98.26 119.48 37.0 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.972 0.415 . . . . 71.1 111.69 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 117.16 4.51 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.162 -0.542 . . . . 74.41 112.064 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -99.88 141.12 33.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 75.13 112.031 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.8 t70 -91.86 164.78 13.55 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.901 -0.591 . . . . 60.1 111.334 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -53.45 -30.51 41.09 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.054 0.761 . . . . 73.34 113.054 -178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.28 8.56 42.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.717 0.636 . . . . 74.11 112.717 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.07 17.33 56.24 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.291 -0.481 . . . . 75.25 113.428 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.2 mmtt -81.1 134.11 35.59 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.711 -0.288 . . . . 74.52 110.823 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.41 141.98 29.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.326 0.584 . . . . 72.13 112.295 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -148.91 95.69 2.44 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.886 -0.597 . . . . 55.02 110.639 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.686 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.4 tt0 -77.78 135.27 37.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.146 0.498 . . . . 73.23 112.101 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.3 pt? -145.64 165.34 29.01 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.928 -0.578 . . . . 64.42 110.703 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 142.77 30.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 71.25 111.567 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.67 149.79 35.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.105 -0.498 . . . . 73.13 111.423 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 17.6 p -96.14 146.43 24.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.266 0.555 . . . . 74.11 112.264 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.74 160.47 35.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.959 -0.564 . . . . 43.4 111.009 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -87.97 -7.47 57.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.241 -0.436 . . . . 71.41 111.67 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -145.92 149.21 33.79 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.623 -0.262 . . . . 63.34 111.621 -167.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -84.74 94.75 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.975 0.417 . . . . 64.45 110.252 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.34 -170.98 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.336 -0.393 . . . . 64.34 111.918 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 6.5 mpt_? -64.29 110.27 2.18 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.164 0.431 . . . . 61.23 112.164 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -61.87 149.63 39.76 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.402 -0.363 . . . . 74.1 111.422 177.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.425 ' H ' ' HB ' ' A' ' 15' ' ' ILE . 35.6 tt0 70.67 -19.13 0.23 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.935 0.717 . . . . 71.44 112.935 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.61 168.45 14.76 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.015 -0.428 . . . . 71.32 111.219 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.447 ' HB2' HG23 ' A' ' 81' ' ' VAL . 89.8 m-85 -102.24 145.13 29.88 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.502 0.668 . . . . 72.3 112.276 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 80' ' ' GLU . 75.7 mt -116.27 122.54 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 74.0 110.664 174.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.9 84.44 6.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.514 -0.55 . . . . 65.22 109.514 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -92.65 124.56 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.653 -0.703 . . . . 71.51 112.31 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.523 ' HE1' ' HB3' ' A' ' 8' ' ' LYS . 29.5 t80 -80.25 139.04 36.87 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.911 -1.041 . . . . 70.25 111.316 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 13.1 t-80 -99.21 128.49 45.35 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.009 0.744 . . . . 73.12 113.009 -173.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.7 m -136.36 135.59 38.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.893 -0.594 . . . . 71.21 110.354 170.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.46 -30.94 26.84 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.991 -0.443 . . . . 71.01 111.227 173.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.39 -45.41 39.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.327 -0.397 . . . . 74.23 111.768 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tmtp? -114.66 6.66 15.76 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 112.08 0.4 . . . . 74.54 112.08 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.2 -83.49 0.42 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.328 -0.463 . . . . 22.42 113.602 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.48 109.32 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.029 0.442 . . . . 63.0 110.816 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -90.76 -18.47 24.91 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.073 0.397 . . . . 71.13 112.073 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.63 148.3 1.5 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.456 0.539 . . . . 64.3 112.456 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.423 ' CE3' HD22 ' A' ' 65' ' ' LEU . 57.5 p-90 -143.17 142.59 31.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.074 0.464 . . . . 61.32 110.889 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -115.03 141.49 47.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.371 -0.377 . . . . 65.11 110.979 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.507 ' HA ' HD23 ' A' ' 65' ' ' LEU . 25.4 tt0 -84.48 119.6 25.34 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.72 0.295 . . . . 64.53 110.73 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 64' ' ' PHE . 27.5 m -130.54 130.49 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-O 121.443 0.639 . . . . 65.51 111.535 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -83.23 161.7 21.43 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.85 -0.531 . . . . 74.24 111.653 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -47.22 72.53 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.28 -0.418 . . . . 74.23 111.852 -174.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -73.9 -12.5 60.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.437 0.532 . . . . 73.31 112.437 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.03 -29.32 58.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 71.24 110.653 173.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.75 144.48 28.67 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.044 -0.526 . . . . 64.22 111.124 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.31 140.82 72.29 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.6 2.2 . . . . 72.11 112.925 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.04 -25.34 58.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.28 0.562 . . . . 71.42 111.664 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 58.9 mttp -58.35 -15.11 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.002 -0.544 . . . . 70.23 112.298 176.535 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.59 -46.18 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.877 0.37 . . . . 72.24 111.518 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm . . . . . 0 CA--C 1.545 0.772 0 N-CA-C 113.146 0.795 . . . . 74.51 113.146 -172.769 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt . . . . . 0 CA--C 1.541 0.622 0 CA-C-O 121.217 0.532 . . . . 60.14 110.47 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.65 178.86 1.91 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.752 0.649 . . . . 72.34 112.752 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.1 pm0 -86.56 146.99 26.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.772 0.796 . . . . 73.01 112.887 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.14 151.55 37.36 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.308 -0.86 . . . . 74.22 110.354 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -90.88 106.51 18.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.822 0.344 . . . . 64.3 110.685 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.414 HG12 ' CA ' ' A' ' 41' ' ' GLY . 26.9 m -100.98 147.47 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.146 0.498 . . . . 40.24 112.033 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.99 154.89 26.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.876 -0.602 . . . . 52.03 110.633 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.443 HG13 ' HA ' ' A' ' 61' ' ' LYS . 42.9 mm -69.35 86.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.284 0.564 . . . . 62.34 111.762 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 39' ' ' LEU . 63.7 p -77.88 -45.01 25.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.003 -0.544 . . . . 74.13 111.061 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.06 131.24 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.792 -0.64 . . . . 71.45 110.816 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -122.52 154.35 37.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.32 0.581 . . . . 73.25 112.53 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.47 4.55 31.74 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 115.61 1.004 . . . . 72.22 115.61 169.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.94 89.8 2.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.594 1.197 . . . . 72.13 110.113 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 7.8 pt-20 -72.45 150.8 43.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.987 -1.006 . . . . 52.01 113.479 -172.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.03 93.17 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.956 -1.02 . . . . 75.13 110.917 173.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . 0.524 ' HB3' ' HG3' ' A' ' 33' ' ' LYS . 6.1 p-80 . . . . . 0 CA--C 1.54 0.594 0 O-C-N 121.972 -0.455 . . . . 75.31 111.127 177.5 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 . . . . . 0 CA--C 1.534 0.353 0 N-CA-C 109.712 -0.477 . . . . 75.13 109.712 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG3' ' HB3' ' A' ' 23' ' ' HIS . 51.4 tttm -167.68 92.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.839 0.352 . . . . 71.54 110.205 -170.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.74 143.42 33.13 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.075 0.398 . . . . 72.52 112.075 -172.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 82.9 m-85 -84.6 137.34 33.34 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.865 -0.42 . . . . 64.44 109.865 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -120.78 144.69 48.17 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 75.4 111.437 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 58.8 m-85 -132.31 111.39 11.32 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.081 -0.509 . . . . 74.14 111.276 -174.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -103.12 88.78 3.23 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.054 0.454 . . . . 74.23 109.868 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 25.4 mt -104.36 144.67 31.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.179 -0.464 . . . . 73.22 112.14 -170.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.9 m -73.63 117.51 15.49 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.792 0.33 . . . . 53.44 111.147 175.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.414 ' CA ' HG12 ' A' ' 13' ' ' VAL . . . -102.16 128.01 9.41 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.296 -0.478 . . . . 51.25 112.579 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 93.3 m-85 -94.61 137.29 33.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.096 0.474 . . . . 73.15 111.597 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.407 ' CB ' ' HB2' ' A' ' 47' ' ' LYS . 15.4 t70 -69.18 147.38 51.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.192 -0.458 . . . . 72.41 109.773 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.69 -11.95 49.5 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.524 0.564 . . . . 75.42 112.524 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.49 -49.55 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.772 0.32 . . . . 74.15 110.606 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.31 75.4 0.02 OUTLIER Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.994 -0.622 . . . . 65.54 113.76 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 63.8 mttm -143.61 161.55 38.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.574 0.35 . . . . 65.04 110.559 175.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -111.73 124.58 52.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.703 0.287 . . . . 53.01 111.448 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -152.67 120.75 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.962 -0.385 . . . . 73.41 109.962 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.04 130.11 39.17 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.781 0.66 . . . . 72.4 112.781 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.422 HD11 ' ND1' ' A' ' 69' ' ' HIS . 3.9 mm? -110.94 140.74 45.19 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.727 -0.67 . . . . 44.22 109.809 172.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -137.76 139.63 40.18 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.032 0.444 . . . . 70.54 112.102 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 52.8 p90 -157.07 161.55 39.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.143 0.497 . . . . 73.22 112.313 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 p -98.38 157.86 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.071 -0.513 . . . . 70.03 111.108 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.42 179.65 6.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.129 0.49 . . . . 62.24 111.987 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -35.44 11.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.074 -0.512 . . . . 75.24 112.023 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -127.16 179.54 5.38 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.009 0.433 . . . . 71.13 111.115 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -77.09 107.78 9.7 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.756 -0.831 . . . . 64.24 108.756 166.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.26 174.41 4.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.097 0.475 . . . . 64.33 112.194 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -64.56 100.08 0.35 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.414 0.626 . . . . 72.52 110.986 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' HG13 ' A' ' 15' ' ' ILE . 31.6 mtmm -69.32 14.53 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.121 1.156 . . . . 62.45 114.121 -169.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -139.38 -7.75 1.32 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.974 -0.454 . . . . 63.25 111.697 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 175.92 9.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 25.43 111.847 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.84 136.3 52.63 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.102 -0.499 . . . . 74.02 110.168 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 4.2 mp -110.41 130.63 55.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.054 0.454 . . . . 74.15 111.652 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -84.74 95.85 9.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.399 -0.593 . . . . 64.51 109.399 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 78' ' ' TRP . 31.3 m -99.48 135.18 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.765 0.654 . . . . 62.25 112.765 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.22 105.88 3.12 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.35 -0.841 . . . . 73.32 110.859 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.422 ' ND1' HD11 ' A' ' 51' ' ' LEU . 11.9 t60 -74.18 96.92 2.84 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.009 0.433 . . . . 61.12 111.429 -173.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . 0.533 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 29.2 m -120.23 118.36 30.26 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.466 -0.333 . . . . 55.51 111.146 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -53.71 -62.72 1.47 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.757 0.651 . . . . 42.45 112.757 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 20.78 1.19 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.06 0.763 . . . . 74.41 113.06 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 24.3 tptm -143.23 -8.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.871 0.367 . . . . 53.25 111.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.3 -82.68 0.13 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.854 -0.499 . . . . 65.22 111.854 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 74.2 t -140.11 116.94 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 122.802 0.441 . . . . 72.24 110.412 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.8 t -87.61 -18.3 29.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.637 0.256 . . . . 64.44 111.66 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.14 148.99 15.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.588 -0.278 . . . . 72.22 111.381 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.474 ' HB3' HG12 ' A' ' 67' ' ' VAL . 47.2 p-90 -145.67 140.95 27.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.928 0.394 . . . . 75.35 111.947 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 32.0 mt-10 -120.94 136.48 54.95 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.532 -0.304 . . . . 51.41 110.99 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.51 106.25 18.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.55 -0.295 . . . . 73.03 110.872 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -115.17 163.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.178 0.513 . . . . 64.0 112.191 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -100.55 147.47 25.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.432 -0.349 . . . . 65.44 111.43 -178.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.411 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.97 -24.7 55.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.446 0.536 . . . . 75.01 112.446 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.05 -50.71 72.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.268 0.556 . . . . 71.11 111.543 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.88 -2.43 56.44 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.902 -0.59 . . . . 72.22 111.611 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.3 mt -93.28 145.03 29.27 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.476 -0.329 . . . . 74.44 110.901 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 38.1 Cg_exo -61.82 105.62 0.39 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.318 2.012 . . . . 54.42 112.44 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.53 18.45 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.425 -0.352 . . . . 55.0 111.62 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -39.97 -40.19 0.98 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.883 0.873 . . . . 74.43 112.402 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.7 t -57.83 -46.35 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 120.901 0.381 . . . . 75.31 111.718 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttp . . . . . 0 CA--C 1.538 0.518 0 CA-C-N 116.605 -0.271 . . . . 65.34 111.667 -179.461 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . 0.551 ' N ' ' HH ' ' A' ' 68' ' ' TYR . 0.0 OUTLIER . . . . . 0 CA--C 1.543 0.69 0 N-CA-C 109.889 -0.411 . . . . 74.3 109.889 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . 0.751 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 19.5 m-20 -138.27 113.15 9.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.757 -0.201 . . . . 73.11 110.556 173.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.03 111.95 24.67 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.312 0.577 . . . . 61.11 110.991 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.55 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.25 -0.432 . . . . 72.45 111.392 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -95.06 100.41 12.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.986 0.422 . . . . 74.44 111.021 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.55 148.67 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.429 -0.35 . . . . 64.25 111.231 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -105.63 175.38 5.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.177 0.513 . . . . 54.23 111.617 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.416 HG21 ' O ' ' A' ' 60' ' ' ARG . 48.3 mm -79.5 105.19 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.007 -0.542 . . . . 71.32 111.835 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.1 p -96.93 -69.21 0.77 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.46 -0.337 . . . . 75.44 111.199 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -103.29 128.45 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.017 0.436 . . . . 71.34 111.422 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.58 167.57 16.18 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.094 0.473 . . . . 60.21 111.94 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.19 8.0 64.39 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 114.788 0.675 . . . . 64.2 114.788 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.18 90.42 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.528 0.664 . . . . 71.41 110.499 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.742 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 12.6 pt-20 -80.27 121.51 25.73 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.509 0.671 . . . . 73.55 111.673 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' VAL . 16.6 m -108.54 89.3 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.658 0.742 . . . . 65.25 111.45 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.1 t60 . . . . . 0 CA--C 1.54 0.573 0 CA-C-N 116.041 -0.527 . . . . 71.14 110.908 176.699 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.492 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 87.4 m-85 . . . . . 0 N--CA 1.47 0.566 0 CA-C-O 120.661 0.267 . . . . 65.25 110.817 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.14 108.41 6.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.767 0.318 . . . . 73.25 111.548 174.382 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.561 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 4.4 m-20 -85.49 146.98 26.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.515 -0.311 . . . . 72.25 110.516 175.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.13 117.62 29.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.948 0.404 . . . . 74.11 110.903 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' HG22 ' A' ' 54' ' ' THR . 42.8 tt0 -84.57 105.15 15.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.375 0.509 . . . . 74.21 112.375 -172.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.417 ' HB3' HD21 ' A' ' 39' ' ' LEU . 95.8 m-85 -96.12 92.73 6.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.492 172.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 16.4 ttpt -99.15 106.82 19.05 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 122.269 -0.269 . . . . 64.04 110.539 176.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.439 ' N ' HD22 ' A' ' 39' ' ' LEU . 1.4 mm? -114.43 135.85 53.65 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.964 0.411 . . . . 60.34 111.552 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -75.87 98.87 4.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.031 0.443 . . . . 74.44 110.019 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.38 130.95 19.15 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 116.135 -0.484 . . . . 64.13 112.951 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -96.99 132.44 42.8 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.866 0.365 . . . . 74.11 111.44 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.79 158.85 31.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.315 -0.402 . . . . 62.31 112.064 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -50.71 -39.86 52.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.313 0.645 . . . . 74.4 112.208 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.67 -56.83 12.7 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.14 0.495 . . . . 72.4 111.063 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.22 48.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.488 -0.778 . . . . 61.25 111.472 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -112.86 -179.35 3.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.684 0.393 . . . . 74.52 111.154 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.88 138.92 53.12 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.912 0.387 . . . . 75.42 111.2 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -144.31 141.53 29.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.229 -0.294 . . . . 61.11 110.409 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.78 114.78 26.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 122.031 -0.418 . . . . 73.43 111.895 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.75 146.84 46.65 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 120.712 0.291 . . . . 71.25 110.977 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -147.46 124.91 11.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.83 0.307 . . . . 73.5 111.83 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.41 127.69 33.92 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.186 0.517 . . . . 72.2 111.21 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . 0.561 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 25.5 p -96.57 112.75 24.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.065 0.46 . . . . 74.02 112.006 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.97 150.93 20.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.972 0.415 . . . . 65.34 111.952 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -77.79 -16.7 58.18 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.594 0.59 . . . . 60.24 112.594 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -139.61 160.64 39.39 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.769 0.318 . . . . 71.12 111.317 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.23 119.04 10.16 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.574 -0.528 . . . . 74.12 109.574 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.459 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 84.2 mt -80.52 -89.17 0.07 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.282 0.845 . . . . 72.34 113.282 -170.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.459 ' HD2' ' C ' ' A' ' 59' ' ' LEU . 11.0 mpt_? -125.32 -163.9 1.24 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.78 0.324 . . . . 71.25 111.444 -172.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -129.05 -77.02 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.015 0.436 . . . . 74.5 111.08 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -87.54 -18.38 29.9 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.825 0.345 . . . . 74.51 111.554 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.61 49.28 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.105 0.479 . . . . 70.11 112.224 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 83' ' ' LYS . 10.8 m-85 -98.23 160.45 14.28 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.793 0.806 . . . . 64.52 111.839 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 80' ' ' GLU . 29.1 mt -131.44 135.55 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.366 -0.833 . . . . 72.51 110.899 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 35.8 mtp-105 -80.74 90.46 5.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.33 -0.395 . . . . 63.44 110.264 175.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.9 t -86.23 126.6 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.489 0.662 . . . . 72.31 111.915 -176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 32.3 t80 -89.41 128.13 35.9 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.376 -0.829 . . . . 63.11 112.139 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . 0.751 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 25.3 t-80 -92.1 129.98 37.93 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.312 0.486 . . . . 73.55 112.312 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -140.41 168.92 18.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.148 -0.478 . . . . 65.35 110.98 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.9 -68.05 0.61 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.15 0.426 . . . . 75.33 112.15 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -87.48 -4.05 59.0 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.333 0.864 . . . . 54.3 113.333 -170.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -113.29 -24.99 9.06 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.277 -0.264 . . . . 74.04 111.677 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.21 -64.93 2.74 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.545 -0.836 . . . . 31.0 111.681 -172.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 90.1 t -124.56 119.74 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.935 0.397 . . . . 70.14 111.017 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -92.95 -26.18 17.68 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.834 0.309 . . . . 75.21 111.834 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -171.47 166.34 6.88 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.808 0.337 . . . . 71.21 111.864 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 39.9 p-90 -152.05 134.14 15.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.248 -0.433 . . . . 72.2 111.109 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -121.22 144.95 48.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.218 0.532 . . . . 72.3 111.696 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.535 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.3 tt0 -76.11 127.25 32.54 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.709 -0.678 . . . . 73.34 112.273 -174.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.12 151.28 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-O 121.397 0.618 . . . . 73.42 112.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.7 mtpp -84.73 148.52 26.32 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.965 -0.561 . . . . 40.3 110.708 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -83.18 3.94 28.77 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.069 0.461 . . . . 64.42 111.628 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -107.67 -10.53 15.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.81 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.8 pt-20 -97.27 -10.52 25.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.007 0.432 . . . . 64.42 111.275 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.81 158.67 72.69 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.605 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -49.41 143.72 19.87 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.914 2.41 . . . . 70.31 113.593 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -29.07 22.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.108 0.781 . . . . 74.44 113.108 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 4.4 mptp? -62.64 -22.47 66.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.571 0.582 . . . . 72.53 112.571 -179.43 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.12 -52.5 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.31 110.539 175.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.6 mttm . . . . . 0 CA--C 1.541 0.606 0 CA-C-N 116.242 -0.435 . . . . 63.45 111.176 176.321 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.2 mttt . . . . . 0 CA--C 1.542 0.642 0 CA-C-O 120.834 0.35 . . . . 73.12 111.049 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -112.38 149.21 32.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.804 0.335 . . . . 70.11 111.861 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' HE ' ' A' ' 66' ' ' ARG . 1.9 pm0 -114.75 132.98 56.27 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.922 0.392 . . . . 64.12 110.673 170.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.09 126.32 51.95 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.269 -0.269 . . . . 75.52 110.961 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.08 99.86 12.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.013 0.435 . . . . 74.2 110.491 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.5 150.07 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.23 -0.441 . . . . 60.32 111.674 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.6 pt20 -97.57 134.79 40.31 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.036 0.446 . . . . 62.4 111.215 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 47.3 mm -70.62 97.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.207 0.527 . . . . 74.34 112.086 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -82.34 -44.94 15.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.059 -0.519 . . . . 75.32 111.461 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.67 139.77 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.254 -0.43 . . . . 61.11 111.586 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -131.41 161.99 31.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.805 0.336 . . . . 65.41 111.591 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.97 9.69 22.41 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 114.696 0.639 . . . . 51.14 114.696 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 64.9 tttm -78.78 138.67 38.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.445 0.623 . . . . 63.53 109.998 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -127.63 158.91 36.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.313 0.578 . . . . 74.53 112.016 -173.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.68 57.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.286 0.565 . . . . 73.12 110.496 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 t60 . . . . . 0 N--CA 1.473 0.706 0 CA-C-O 121.768 0.795 . . . . 65.04 111.075 -177.367 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 . . . . . 0 CA--C 1.54 0.592 0 CA-C-O 121.009 0.433 . . . . 75.11 111.377 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.431 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 10.0 mtmp? -88.15 69.19 9.22 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 73.22 110.988 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -86.59 166.9 15.04 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.934 0.397 . . . . 70.03 110.878 175.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -86.8 156.39 19.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.26 0.552 . . . . 62.41 112.126 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -154.32 138.8 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.918 -173.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -129.76 102.06 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.366 -0.379 . . . . 63.33 110.796 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 22.7 ttpp -94.19 120.22 34.13 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.799 0.333 . . . . 73.15 111.034 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.41 161.6 40.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.498 0.665 . . . . 62.41 112.221 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 37.1 m -84.07 109.82 17.98 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.991 -0.55 . . . . 73.34 112.057 -178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 154.71 36.66 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.276 -0.488 . . . . 41.54 112.679 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.89 126.52 48.87 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.016 0.436 . . . . 75.02 111.594 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 14.6 t70 -71.5 154.72 41.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.955 -0.566 . . . . 73.24 111.121 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 20.1 ptmt -56.79 -27.28 59.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.092 0.775 . . . . 70.15 113.092 -176.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.4 0.68 55.12 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.048 0.451 . . . . 72.05 111.76 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.63 46.59 3.96 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.299 -0.477 . . . . 63.33 112.58 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.679 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 92.2 mttt -121.15 -179.6 4.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.501 0.32 . . . . 52.32 110.909 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.38 160.96 15.74 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.099 0.777 . . . . 73.33 113.099 -174.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 22.7 tptt -170.11 93.55 0.23 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.889 -0.596 . . . . 74.44 110.882 167.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 2.3 tm-20 -80.2 107.03 12.66 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.168 -0.469 . . . . 42.04 110.628 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 pp -138.6 175.22 9.75 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.504 0.557 . . . . 55.01 112.504 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLU . . . . . 0.497 ' HB3' ' HG3' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -132.56 157.9 43.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.904 0.383 . . . . 53.35 111.831 -179.147 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' HD13 ' A' ' 65' ' ' LEU . 52.6 p90 -140.68 151.33 44.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 62.23 110.808 173.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.2 p -108.71 140.26 42.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.402 0.519 . . . . 72.42 112.402 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.8 167.38 16.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.831 -0.622 . . . . 64.43 110.857 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -85.34 -47.94 9.53 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.162 0.506 . . . . 75.25 111.062 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -126.57 163.77 22.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.022 -0.535 . . . . 74.33 110.753 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.46 118.9 8.16 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.347 -0.388 . . . . 72.32 110.897 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -90.12 -172.3 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.171 0.51 . . . . 74.03 112.186 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.74 111.75 20.42 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.086 0.469 . . . . 70.41 112.168 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 21.4 ptmt -76.65 162.84 27.41 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.172 0.511 . . . . 55.41 112.122 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 64.29 7.99 3.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.729 0.776 . . . . 72.54 111.485 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.75 150.93 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 71.0 109.935 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 38.0 m-85 -82.39 156.54 24.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 74.03 110.425 176.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 78' ' ' TRP . 1.5 tt -145.68 126.82 14.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.331 0.586 . . . . 62.3 111.232 -173.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HE ' ' HG3' ' A' ' 10' ' ' GLU . 63.5 ttt180 -81.35 92.42 6.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.426 -0.807 . . . . 73.41 110.794 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.23 137.9 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.708 0.766 . . . . 72.54 112.275 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.79 130.6 37.54 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.857 -1.065 . . . . 65.42 112.189 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -74.96 103.96 5.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.953 0.406 . . . . 72.43 111.605 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -100.9 149.37 23.95 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.452 -0.34 . . . . 71.31 111.653 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.33 -41.85 98.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.119 -0.491 . . . . 75.11 111.734 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -83.02 -0.08 47.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.371 -0.377 . . . . 74.32 111.759 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.505 ' NZ ' ' HB2' ' A' ' 73' ' ' LYS . 0.1 OUTLIER 63.78 -161.78 0.28 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.667 0.387 . . . . 73.1 110.129 -167.698 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.6 -17.63 5.3 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 120.589 -0.815 . . . . 61.24 113.499 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t 64.07 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.495 0.664 . . . . 74.04 112.577 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -74.67 -11.38 60.17 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.701 0.63 . . . . 73.1 112.701 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -159.11 136.24 9.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.79 0.328 . . . . 72.52 111.573 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' TRP . . . . . 0.435 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 64.1 p-90 -147.89 137.39 22.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.001 0.429 . . . . 73.13 111.781 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -123.34 138.27 54.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.362 -0.381 . . . . 72.43 111.255 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -83.92 128.89 34.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.525 -0.307 . . . . 72.3 110.648 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.52 146.02 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.592 0.71 . . . . 62.51 112.238 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.043 -0.526 . . . . 73.5 110.804 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.01 -33.31 75.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.381 0.61 . . . . 62.35 109.978 172.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.83 -21.65 64.82 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.675 -0.693 . . . . 73.51 111.759 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -85.68 -0.4 55.05 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.913 0.338 . . . . 65.41 111.913 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.32 123.52 52.39 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.099 0.407 . . . . 63.02 112.099 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 156.3 21.17 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.262 1.974 . . . . 54.42 112.271 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.41 28.41 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.977 0.417 . . . . 42.23 111.733 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.32 -24.64 29.96 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.549 0.574 . . . . 74.32 112.549 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.51 -42.86 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.38 0.61 . . . . 62.22 110.688 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 CA--C 1.539 0.547 0 CA-C-N 116.13 -0.486 . . . . 70.14 111.737 -178.558 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.1 ptt? . . . . . 0 N--CA 1.49 1.561 0 CA-C-O 121.107 0.479 . . . . 65.35 111.723 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -73.89 108.54 6.78 Favored 'General case' 0 CA--C 1.539 0.53 0 O-C-N 122.236 -0.29 . . . . 74.21 111.116 177.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.513 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.2 pt? -65.38 -59.65 3.8 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 111.336 0.125 . . . . 72.54 111.336 177.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.483 ' N ' ' HG ' ' A' ' 3' ' ' LEU . 2.5 m-20 46.9 -86.38 0.01 OUTLIER 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.09 0.774 . . . . 75.31 113.09 177.58 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.5 ptt180 -133.92 -8.12 2.73 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.293 -0.412 . . . . 73.43 111.26 -178.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 74.9 mtm 52.69 -93.25 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 122.846 0.459 . . . . 73.44 112.149 -174.488 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.71 35.83 58.32 Favored Glycine 0 CA--C 1.529 0.937 0 C-N-CA 121.17 -0.538 . . . . 73.44 113.18 -177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 94.1 mttt -86.47 147.2 26.09 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.931 0.396 . . . . 73.11 111.854 -175.349 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.891 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 12.2 m-20 -83.73 153.94 23.88 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.5 -0.318 . . . . 74.41 110.995 177.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.509 ' HG2' ' HE2' ' A' ' 44' ' ' LYS . 13.6 pt-20 -137.91 123.17 19.36 Favored 'General case' 0 N--CA 1.467 0.376 0 CA-C-O 121.209 0.528 . . . . 62.44 110.399 171.431 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.505 ' CE2' ' HB3' ' A' ' 43' ' ' ASP . 90.0 m-85 -102.95 121.01 41.66 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 116.161 -0.472 . . . . 74.52 111.27 179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 88.0 m-85 -80.39 100.55 8.51 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-N 116.26 -0.427 . . . . 64.01 110.64 177.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.602 HG12 ' HA2' ' A' ' 41' ' ' GLY . 5.2 m -105.85 165.34 3.92 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.4 0 CA-C-O 121.224 0.535 . . . . 73.11 111.415 -178.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -129.24 115.97 18.45 Favored 'General case' 0 C--N 1.325 -0.484 0 N-CA-C 109.564 -0.532 . . . . 71.31 109.564 177.59 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.6 mm -65.09 93.31 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.492 0 CA-C-O 121.281 0.562 . . . . 63.53 112.13 -176.079 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 47.4 p -98.56 -37.19 9.64 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 115.572 -0.74 . . . . 55.01 111.233 175.124 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.2 m -89.61 119.5 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.573 0 CA-C-O 121.194 0.521 . . . . 74.54 111.252 178.008 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -131.67 160.83 34.29 Favored 'General case' 0 CA--C 1.545 0.784 0 N-CA-C 112.397 0.517 . . . . 75.51 112.397 -174.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.69 9.85 70.55 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 116.097 1.199 . . . . 75.33 116.097 171.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.455 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 91.4 mttt -71.75 86.56 0.95 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-N 118.144 0.972 . . . . 74.13 112.013 176.525 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -82.98 109.2 16.87 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.102 0.477 . . . . 73.3 111.035 175.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.401 HG23 ' O ' ' A' ' 22' ' ' VAL . 19.9 m -88.89 86.99 2.7 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 CA-C-O 122.094 0.95 . . . . 72.2 111.323 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.1 t-160 -65.12 -4.55 5.05 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 115.54 -0.754 . . . . 72.14 111.865 -178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -63.64 -10.57 19.55 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 116.154 -0.475 . . . . 65.22 111.461 175.54 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 55.3 mmtt -82.23 14.13 3.09 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 112.641 0.608 . . . . 75.3 112.641 176.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 28' ' ' ASN . . . -50.31 -45.71 54.88 Favored 'General case' 0 CA--C 1.543 0.68 0 N-CA-C 111.835 0.309 . . . . 71.21 111.835 178.371 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 44.79 -80.26 0.0 OUTLIER 'General case' 0 N--CA 1.478 0.954 0 N-CA-C 113.612 0.967 . . . . 72.0 113.612 176.152 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.432 ' N ' ' O ' ' A' ' 26' ' ' ALA . 27.5 t-20 -66.11 -35.77 81.38 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.366 0.603 . . . . 71.22 111.142 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.65 34.19 1.02 Allowed Glycine 0 CA--C 1.524 0.608 0 CA-C-N 115.982 -0.554 . . . . 61.04 112.536 -177.33 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.513 ' HB2' ' CD2' ' A' ' 32' ' ' TYR . 26.3 mt-30 -116.4 -177.74 3.25 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 121.148 0.499 . . . . 65.23 111.341 -178.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 54.1 mtpt -97.75 10.1 40.92 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.604 0.594 . . . . 71.05 112.604 -176.036 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.513 ' CD2' ' HB2' ' A' ' 30' ' ' GLN . 54.4 p90 -71.63 139.22 49.22 Favored 'General case' 0 N--CA 1.472 0.645 0 CA-C-O 121.051 0.453 . . . . 71.23 111.181 179.351 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 87.2 mttt -135.59 131.5 35.96 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 116.322 -0.399 . . . . 74.05 111.896 -172.643 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -85.65 159.86 19.72 Favored 'General case' 0 CA--C 1.539 0.555 0 N-CA-C 110.076 -0.342 . . . . 61.15 110.076 172.313 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.455 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 96.2 m-85 -108.18 139.61 42.6 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 122.203 -0.311 . . . . 72.3 111.37 178.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -102.56 125.28 49.23 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-O 120.848 0.356 . . . . 73.43 111.625 -176.734 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 91.0 m-85 -123.46 89.31 3.07 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 116.399 -0.364 . . . . 75.22 110.88 174.267 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.9 tttt -101.05 121.56 42.01 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-N 116.422 -0.354 . . . . 74.12 110.658 176.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -155.74 176.54 12.49 Favored 'General case' 0 CA--C 1.538 0.5 0 N-CA-C 112.477 0.547 . . . . 73.13 112.477 -172.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 85.6 m -93.91 117.85 30.66 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-N 116.116 -0.493 . . . . 63.12 111.155 178.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.602 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -98.27 133.84 11.48 Favored Glycine 0 CA--C 1.521 0.43 0 C-N-CA 121.212 -0.518 . . . . 45.14 113.13 -179.855 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -102.96 116.54 32.74 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.78 0.324 . . . . 63.22 111.181 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.505 ' HB3' ' CE2' ' A' ' 11' ' ' TYR . 1.0 OUTLIER -82.19 -179.86 7.56 Favored 'General case' 0 N--CA 1.472 0.663 0 N-CA-C 112.691 0.626 . . . . 72.02 112.691 -179.462 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.509 ' HE2' ' HG2' ' A' ' 10' ' ' GLU . 68.6 mttm -66.04 -33.39 75.68 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 115.828 -0.624 . . . . 64.1 111.91 -179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -66.6 -50.57 62.6 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.333 0.587 . . . . 72.05 110.567 178.242 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 122.84 41.01 0.47 Allowed Glycine 0 CA--C 1.524 0.645 0 CA-C-N 115.809 -0.632 . . . . 65.02 112.764 -179.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 61.9 mttm -106.28 -179.28 3.89 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 120.907 0.384 . . . . 61.32 110.804 178.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.2 mt-10 -119.04 107.61 13.72 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 121.112 0.482 . . . . 73.5 110.961 176.394 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 tptt -98.34 135.76 39.48 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-N 116.311 -0.404 . . . . 70.25 110.984 -179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 30.2 tt0 -95.11 117.64 30.55 Favored 'General case' 0 N--CA 1.468 0.464 0 N-CA-C 110.37 -0.234 . . . . 74.24 110.37 176.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.456 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.2 pt? -141.5 140.59 33.54 Favored 'General case' 0 N--CA 1.467 0.419 0 CA-C-O 121.214 0.53 . . . . 75.11 111.806 -179.303 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -126.36 110.35 13.26 Favored 'General case' 0 CA--C 1.536 0.438 0 CA-C-N 115.929 -0.578 . . . . 72.14 110.255 174.063 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.2 p90 -109.19 135.26 50.59 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-O 121.141 0.496 . . . . 71.15 110.959 179.087 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.453 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 34.5 p -99.25 131.11 45.51 Favored 'General case' 0 C--O 1.236 0.371 0 CA-C-N 115.993 -0.548 . . . . 74.44 111.032 178.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -116.23 141.78 47.7 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.265 -0.425 . . . . 72.51 111.502 -179.035 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -62.94 -35.81 81.34 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 121.071 0.462 . . . . 73.23 110.707 177.043 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.458 ' HB3' ' HE2' ' A' ' 57' ' ' LYS . 47.6 mtpt -110.28 160.83 16.19 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 116.387 -0.37 . . . . 50.01 111.371 177.04 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -85.21 123.26 30.5 Favored 'General case' 0 CA--C 1.541 0.627 0 N-CA-C 109.559 -0.534 . . . . 64.42 109.559 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.2 pp -94.08 -174.52 3.42 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.981 0.734 . . . . 71.03 112.981 -172.045 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.3 ttm180 -75.19 111.52 10.53 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 121.365 0.602 . . . . 73.11 112.51 -174.5 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -78.81 157.4 28.41 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 115.661 -0.7 . . . . 72.34 111.518 178.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 43.2 tt0 68.56 2.52 3.42 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 123.036 0.535 . . . . 72.34 112.066 -177.4 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.63 163.58 13.73 Favored 'General case' 0 CA--C 1.538 0.513 0 O-C-N 121.93 -0.482 . . . . 73.22 111.936 179.2 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.32 109.88 22.31 Favored 'General case' 0 N--CA 1.467 0.394 0 CA-C-N 115.864 -0.607 . . . . 61.4 109.862 175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.545 HD21 ' HB2' ' A' ' 78' ' ' TRP . 2.7 tt -102.26 123.21 45.68 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.002 0.43 . . . . 73.14 111.086 -171.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -87.98 105.43 17.45 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.403 -0.362 . . . . 72.25 110.658 177.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 53.7 t -97.71 121.97 48.8 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 112.111 0.412 . . . . 45.54 112.111 -176.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.48 ' HB3' ' O ' ' A' ' 77' ' ' ALA . 0.0 OUTLIER -72.84 149.47 43.54 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 120.832 0.349 . . . . 71.2 111.135 176.393 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.891 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 53.4 t-80 -142.26 135.87 29.24 Favored 'General case' 0 CA--C 1.541 0.629 0 CA-C-O 121.246 0.546 . . . . 55.35 112.192 -178.686 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.8 m -144.75 147.11 32.56 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.954 -0.566 . . . . 64.53 110.082 173.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -58.18 -38.09 76.02 Favored 'General case' 0 CA--C 1.547 0.844 0 N-CA-C 113.658 0.985 . . . . 74.32 113.658 -172.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 59.5 mtmt -74.82 -13.01 60.52 Favored 'General case' 0 N--CA 1.475 0.8 0 N-CA-C 114.414 1.264 . . . . 73.44 114.414 -171.473 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 56.6 tttp -151.2 2.82 0.43 Allowed 'General case' 0 N--CA 1.479 1.007 0 O-C-N 121.412 -0.805 . . . . 73.15 112.907 178.366 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.575 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 71.71 -82.15 0.5 Allowed Glycine 0 CA--C 1.527 0.804 0 C-N-CA 120.973 -0.632 . . . . 52.31 113.387 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 85.7 t -129.12 147.07 33.38 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.743 0 CA-C-O 120.934 0.397 . . . . 43.53 111.769 -175.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.436 ' HB2' ' HE2' ' A' ' 68' ' ' TYR . 48.9 m -151.43 -60.45 0.17 Allowed 'General case' 0 N--CA 1.479 0.984 0 CA-C-O 121.131 0.491 . . . . 73.1 111.327 176.018 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.48 ' O ' ' HB3' ' A' ' 68' ' ' TYR . . . -101.57 145.51 28.93 Favored 'General case' 0 N--CA 1.469 0.479 0 CA-C-O 120.962 0.41 . . . . 64.05 111.819 -179.537 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.545 ' HB2' HD21 ' A' ' 65' ' ' LEU . 40.0 p-90 -160.85 151.46 18.24 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.322 -0.399 . . . . 73.04 111.55 179.714 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.7 mt-10 -132.44 147.85 52.39 Favored 'General case' 0 N--CA 1.476 0.867 0 CA-C-O 121.506 0.67 . . . . 72.04 112.443 -178.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.5 mt-10 -96.27 119.56 34.98 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.443 -0.799 . . . . 74.13 111.394 -176.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.6 m -133.86 177.28 7.25 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.796 0 CA-C-O 121.442 0.639 . . . . 72.42 111.926 178.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 34.5 mtmm -118.67 162.79 17.82 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-N 116.006 -0.543 . . . . 75.2 110.514 176.131 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.82 -20.91 62.55 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-O 120.834 0.35 . . . . 71.11 111.892 -177.609 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -73.6 -33.74 64.73 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 121.01 0.433 . . . . 72.03 111.208 177.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.5 mt-10 -80.21 -26.34 39.2 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.116 -0.493 . . . . 64.0 111.005 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 94.1 mt -75.35 154.73 86.04 Favored Pre-proline 0 CA--C 1.541 0.616 0 CA-C-N 116.214 -0.448 . . . . 73.13 111.537 176.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 39.4 Cg_exo -61.28 140.41 88.38 Favored 'Trans proline' 0 CA--C 1.538 0.712 0 C-N-CA 122.386 2.057 . . . . 74.33 112.469 175.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.91 -26.26 46.67 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 120.926 0.393 . . . . 73.0 111.654 179.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -55.37 -29.93 59.39 Favored 'General case' 0 CA--C 1.543 0.673 0 CA-C-N 116.158 -0.474 . . . . 70.34 111.814 176.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 96.7 t -60.28 -38.13 76.33 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-O 121.051 0.453 . . . . 74.43 110.792 176.63 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -72.14 -30.8 65.38 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-N 116.001 -0.545 . . . . 73.4 110.741 176.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -78.6 -9.56 59.41 Favored 'General case' 0 CA--C 1.54 0.571 0 CA-C-O 121.292 0.568 . . . . 52.3 110.793 175.274 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.443 ' HG3' HD12 ' A' ' 94' ' ' LEU . 59.6 tptt -90.7 -60.79 1.82 Allowed 'General case' 0 CA--C 1.54 0.594 0 CA-C-N 115.932 -0.576 . . . . 71.11 109.958 174.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.443 HD12 ' HG3' ' A' ' 93' ' ' LYS . 10.3 mp -120.16 133.31 55.53 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.342 -0.39 . . . . 70.23 110.824 174.577 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 100.61 18.19 21.59 Favored Glycine 0 CA--C 1.528 0.867 0 C-N-CA 120.978 -0.63 . . . . 51.14 113.631 179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.3 t -73.65 141.07 16.72 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.557 0 CA-C-O 121.089 0.471 . . . . 71.2 111.897 -179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -115.28 161.71 18.11 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.239 -0.437 . . . . 65.52 111.542 178.225 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.6 pp -75.09 170.8 15.31 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.329 -0.396 . . . . 63.01 110.858 171.683 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 99' ' ' GLU . 44.4 tt0 64.84 11.9 7.31 Favored 'General case' 0 CA--C 1.548 0.9 0 CA-C-O 121.498 0.666 . . . . 73.34 111.369 179.229 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -84.41 -6.05 59.34 Favored 'General case' 0 CA--C 1.54 0.562 0 O-C-N 121.775 -0.578 . . . . 63.31 111.932 -176.226 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 43.2 m80 -83.59 18.15 1.99 Allowed 'General case' 0 N--CA 1.473 0.717 0 O-C-N 122.09 -0.382 . . . . 73.23 111.259 172.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 51.2 t-80 -57.77 102.96 0.11 Allowed 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 122.827 0.451 . . . . 55.24 111.908 178.321 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.1 p80 -146.11 145.18 30.43 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-N 116.425 -0.352 . . . . 75.33 110.868 177.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 35.1 m80 -69.89 152.41 44.55 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.81 0.338 . . . . 54.42 111.077 178.423 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 58.3 t-80 . . . . . 0 C--O 1.25 1.119 0 CA-C-O 118.717 -0.659 . . . . 63.33 111.424 179.331 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.6 pmm? . . . . . 0 N--CA 1.492 1.65 0 CA-C-O 120.844 0.354 . . . . 63.13 111.321 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -66.69 85.54 0.12 Allowed 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 121.313 0.578 . . . . 73.01 112.38 -175.083 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.601 HD12 ' HB2' ' A' ' 77' ' ' ALA . 2.4 pt? -91.43 2.15 56.62 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 115.936 -0.575 . . . . 72.32 111.674 178.489 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 -49.28 -40.47 34.63 Favored 'General case' 0 N--CA 1.472 0.666 0 N-CA-C 113.197 0.814 . . . . 74.4 113.197 -175.357 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.408 HH11 ' HD3' ' A' ' 5' ' ' ARG . 55.8 mmt-85 -125.25 43.54 3.02 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.359 0.503 . . . . 73.44 112.359 -177.366 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.46 ' SD ' ' HA ' ' A' ' 3' ' ' LEU . 87.3 mtp -96.98 101.6 13.21 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.386 -0.37 . . . . 73.42 110.386 172.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -142.27 62.57 0.52 Allowed Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.349 -0.929 . . . . 40.04 113.786 -179.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.44 ' HD2' ' HA ' ' A' ' 8' ' ' LYS . 15.9 tptm -81.0 -125.26 0.02 OUTLIER 'General case' 0 CA--C 1.551 0.993 0 O-C-N 122.496 -0.414 . . . . 73.35 110.576 175.596 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -70.55 106.46 3.47 Favored 'General case' 0 CA--C 1.541 0.63 0 O-C-N 121.873 -0.517 . . . . 73.2 111.343 179.755 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -98.67 118.79 36.19 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-O 121.455 0.645 . . . . 55.45 110.652 176.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 22.7 m-85 -93.48 139.62 30.52 Favored 'General case' 0 N--CA 1.467 0.421 0 CA-C-N 116.0 -0.546 . . . . 71.25 111.315 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 56.1 m-85 -93.04 100.21 12.68 Favored 'General case' 0 CA--C 1.536 0.405 0 CA-C-N 116.115 -0.493 . . . . 74.43 110.773 -179.665 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 34.2 m -108.92 162.31 6.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.565 0 CA-C-O 120.953 0.406 . . . . 62.45 111.354 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? -133.7 143.14 48.34 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.514 -0.312 . . . . 71.54 110.457 179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.472 HD13 HD11 ' A' ' 39' ' ' LEU . 40.2 mm -69.72 92.96 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 121.206 0.527 . . . . 70.02 112.05 -176.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.8 p -86.82 -65.47 1.01 Allowed 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.124 -0.489 . . . . 73.3 111.331 177.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -95.76 109.39 22.56 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.728 0 CA-C-O 121.291 0.567 . . . . 60.41 111.819 178.166 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -114.89 -178.75 3.44 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 121.256 0.55 . . . . 73.11 111.971 -178.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.9 7.94 63.11 Favored Glycine 0 CA--C 1.533 1.212 0 C-N-CA 121.158 -0.544 . . . . 61.4 114.016 178.073 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.479 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 65.1 mttm -80.04 155.39 27.61 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 116.99 0.395 . . . . 51.23 110.983 175.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.6 pt-20 -142.13 147.45 36.72 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 120.969 0.414 . . . . 54.42 111.842 -178.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.9 m -92.35 81.49 1.67 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.503 0 CA-C-O 122.041 0.924 . . . . 71.43 110.594 174.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -80.72 -13.31 59.11 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.524 -0.762 . . . . 63.11 111.621 -175.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.517 ' O ' ' HB2' ' A' ' 25' ' ' LYS . 30.1 t -67.91 69.05 0.12 Allowed 'General case' 0 C--N 1.319 -0.756 0 CA-C-N 115.453 -0.794 . . . . 75.54 112.488 -176.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.517 ' HB2' ' O ' ' A' ' 24' ' ' SER . 2.0 tpmt? 165.37 -29.52 0.0 OUTLIER 'General case' 0 N--CA 1.479 1.024 0 CA-C-O 121.731 0.777 . . . . 75.34 111.105 -178.677 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -79.99 -14.26 58.71 Favored 'General case' 0 C--N 1.318 -0.765 0 N-CA-C 113.321 0.86 . . . . 62.22 113.321 -171.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.433 ' HA ' HE21 ' A' ' 30' ' ' GLN . 7.9 m-20 -60.24 -22.65 63.29 Favored 'General case' 0 CA--C 1.544 0.739 0 N-CA-C 114.142 1.164 . . . . 74.01 114.142 -171.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -88.29 6.86 35.03 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.89 -0.506 . . . . 64.43 111.975 177.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 173.86 60.25 0.05 OUTLIER Glycine 0 CA--C 1.523 0.576 0 N-CA-C 111.636 -0.586 . . . . 75.44 111.636 -178.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.433 HE21 ' HA ' ' A' ' 27' ' ' ASP . 64.2 mt-30 -63.54 86.89 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.718 0 N-CA-C 113.161 0.8 . . . . 70.03 113.161 -169.226 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.7 ttmm -142.05 -1.2 1.24 Allowed 'General case' 0 N--CA 1.473 0.676 0 CA-C-N 115.883 -0.599 . . . . 74.52 110.804 172.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.1 p90 -136.36 114.58 11.58 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.396 -0.365 . . . . 75.21 111.04 -175.702 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.2 mtmt -142.96 113.81 7.59 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-N 116.507 -0.315 . . . . 74.33 110.864 -179.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.4 ' O ' HG22 ' A' ' 22' ' ' VAL . 26.2 m-20 -86.37 149.19 25.2 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 120.888 0.375 . . . . 73.3 110.582 177.241 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 72.8 m-85 -77.27 154.02 33.35 Favored 'General case' 0 CA--C 1.536 0.413 0 CA-C-O 121.357 0.599 . . . . 71.14 111.992 -179.249 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.479 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 37.4 tt0 -119.89 131.97 55.41 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-N 115.747 -0.661 . . . . 75.12 111.21 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.436 ' HE2' ' HB3' ' A' ' 55' ' ' ALA . 97.5 m-85 -123.28 103.91 8.81 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 120.826 0.346 . . . . 70.22 111.073 178.469 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 52.9 tttp -95.25 87.19 4.76 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-O 121.124 0.488 . . . . 53.0 110.443 177.013 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.472 HD11 HD13 ' A' ' 15' ' ' ILE . 35.4 mt -106.06 162.03 13.97 Favored 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.183 0.516 . . . . 73.31 112.176 -173.797 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 56.7 m -109.67 117.4 33.81 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.323 -0.399 . . . . 74.14 111.024 177.322 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -97.92 130.3 10.19 Favored Glycine 0 CA--C 1.523 0.539 0 C-N-CA 121.34 -0.457 . . . . 61.21 112.851 178.69 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.4 m-85 -90.68 132.32 35.86 Favored 'General case' 0 CA--C 1.537 0.464 0 CA-C-O 121.172 0.51 . . . . 64.31 111.689 -179.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.536 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 30.2 t70 -77.71 168.15 20.42 Favored 'General case' 0 CA--C 1.543 0.69 0 CA-C-N 115.849 -0.614 . . . . 75.54 111.842 -178.006 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 89.2 mttt -59.31 -30.01 68.04 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 116.077 -0.511 . . . . 70.45 112.363 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -90.43 -8.65 50.0 Favored 'General case' 0 CA--C 1.544 0.747 0 CA-C-O 121.246 0.546 . . . . 72.3 110.888 176.091 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 101.39 25.1 8.42 Favored Glycine 0 CA--C 1.527 0.84 0 CA-C-N 116.152 -0.476 . . . . 41.42 113.681 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.536 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 66.8 mmtt -89.5 173.43 8.34 Favored 'General case' 0 N--CA 1.474 0.727 0 O-C-N 122.182 -0.599 . . . . 73.21 111.485 -179.373 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -108.93 129.98 55.44 Favored 'General case' 0 N--CA 1.471 0.589 0 N-CA-C 112.309 0.485 . . . . 71.13 112.309 -176.184 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -133.25 140.53 47.55 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 116.303 -0.408 . . . . 75.42 110.396 172.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 35.4 tt0 -82.23 113.47 20.07 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.032 0.444 . . . . 73.34 111.803 -178.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.587 HD12 HG11 ' A' ' 67' ' ' VAL . 4.1 mm? -99.55 82.8 2.69 Favored 'General case' 0 CA--C 1.535 0.38 0 CA-C-O 121.492 0.663 . . . . 50.45 110.203 173.063 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 42.3 tt0 -103.43 99.27 9.1 Favored 'General case' 0 CA--C 1.535 0.371 0 CA-C-N 115.736 -0.666 . . . . 54.12 110.477 179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.8 p90 -128.25 173.03 10.49 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.16 -0.473 . . . . 73.03 111.496 -177.332 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 67.5 p -121.72 158.37 28.9 Favored 'General case' 0 N--CA 1.467 0.379 0 CA-C-O 121.306 0.575 . . . . 75.22 112.305 -177.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.436 ' HB3' ' HE2' ' A' ' 37' ' ' TYR . . . -147.37 137.47 23.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.638 -0.71 . . . . 74.55 110.005 176.217 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.3 tt0 -67.16 -34.58 77.86 Favored 'General case' 0 CA--C 1.539 0.536 0 O-C-N 122.193 -0.317 . . . . 71.23 111.841 -173.574 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 47.5 mtpt -129.0 153.6 47.42 Favored 'General case' 0 N--CA 1.47 0.552 0 CA-C-O 120.934 0.397 . . . . 72.4 111.36 175.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 64.2 t30 -67.71 133.14 48.78 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 116.248 -0.433 . . . . 61.43 111.372 -176.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 2.5 pp -105.15 -165.24 1.11 Allowed 'General case' 0 CA--C 1.544 0.734 0 CA-C-N 116.262 -0.426 . . . . 74.41 112.05 -177.053 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -61.42 115.84 4.2 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.854 0.359 . . . . 74.34 111.775 -178.578 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.464 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 48.0 mtpt -69.98 -50.39 42.19 Favored 'General case' 0 N--CA 1.471 0.619 0 N-CA-C 112.442 0.534 . . . . 71.34 112.442 -176.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -94.42 21.07 7.51 Favored 'General case' 0 CA--C 1.539 0.528 0 N-CA-C 112.401 0.519 . . . . 63.31 112.401 -173.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.15 179.76 4.17 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-O 120.864 0.364 . . . . 75.03 111.393 176.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.553 ' HB2' HG23 ' A' ' 81' ' ' VAL . 69.7 m-85 -113.38 161.93 16.7 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.411 -0.359 . . . . 75.32 110.779 178.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.503 HD23 ' HA ' ' A' ' 80' ' ' GLU . 87.6 mt -130.75 123.79 29.99 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 120.886 0.374 . . . . 75.4 111.859 -179.337 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 61.8 mtt180 -81.99 91.39 6.6 Favored 'General case' 0 N--CA 1.467 0.377 0 CA-C-O 120.843 0.354 . . . . 70.04 110.366 171.028 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.587 HG11 HD12 ' A' ' 51' ' ' LEU . 60.0 t -85.12 129.21 38.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 121.031 0.443 . . . . 72.32 111.327 -179.544 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.497 ' HD2' ' H ' ' A' ' 76' ' ' SER . 0.6 OUTLIER -69.18 137.63 53.44 Favored 'General case' 0 CA--C 1.538 0.519 0 CA-C-O 121.181 0.515 . . . . 72.31 111.656 177.971 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -141.73 147.57 37.61 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-N 116.02 -0.537 . . . . 74.01 110.722 176.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.4 m -146.45 -169.11 3.19 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 116.204 -0.453 . . . . 73.2 110.786 175.178 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -55.38 -34.05 64.0 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-O 121.162 0.506 . . . . 71.14 111.119 177.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.457 ' O ' ' HB3' ' A' ' 73' ' ' LYS . 0.2 OUTLIER -69.17 -14.8 63.19 Favored 'General case' 0 CA--C 1.541 0.604 0 N-CA-C 112.855 0.687 . . . . 64.03 112.855 178.64 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.457 ' HB3' ' O ' ' A' ' 72' ' ' LYS . 39.6 ttmt 67.28 -72.87 0.08 Allowed 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 109.148 -0.686 . . . . 72.24 109.148 -164.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 58.63 -79.76 0.01 OUTLIER Glycine 0 CA--C 1.528 0.878 0 N-CA-C 115.665 1.026 . . . . 43.4 115.665 168.346 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 93.7 t 68.22 102.71 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.676 0 C-N-CA 123.0 0.52 . . . . 71.02 110.985 -171.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.497 ' H ' ' HD2' ' A' ' 68' ' ' TYR . 93.0 p -123.57 -42.08 2.23 Favored 'General case' 0 N--CA 1.472 0.652 0 N-CA-C 112.198 0.444 . . . . 74.41 112.198 -177.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.601 ' HB2' HD12 ' A' ' 3' ' ' LEU . . . -129.6 148.22 51.47 Favored 'General case' 0 N--CA 1.47 0.537 0 N-CA-C 112.548 0.573 . . . . 54.03 112.548 -177.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 32.3 p-90 -147.93 152.35 37.38 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-N 115.867 -0.606 . . . . 73.01 111.496 177.38 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.5 mm-40 -126.78 149.57 49.58 Favored 'General case' 0 N--CA 1.476 0.842 0 CA-C-O 120.888 0.375 . . . . 73.11 111.608 177.648 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.503 ' HA ' HD23 ' A' ' 65' ' ' LEU . 52.0 mt-10 -85.02 108.31 17.56 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.949 -0.569 . . . . 71.43 111.254 -179.362 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.553 HG23 ' HB2' ' A' ' 64' ' ' PHE . 35.4 m -112.18 171.83 3.27 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 121.113 0.482 . . . . 63.24 111.578 178.663 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 47.3 mtmt -118.2 167.09 11.83 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 121.391 0.615 . . . . 74.23 112.589 -173.642 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.417 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -60.7 -14.6 21.94 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 115.722 -0.672 . . . . 74.5 112.47 178.349 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -59.46 -37.71 78.86 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 112.303 0.483 . . . . 70.31 112.303 -175.613 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.46 ' HG3' ' HG ' ' A' ' 86' ' ' LEU . 10.4 pt-20 -93.41 3.69 55.19 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 120.829 0.347 . . . . 63.41 111.687 178.259 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.534 ' N ' ' HD3' ' A' ' 87' ' ' PRO . 80.2 mt -136.51 52.96 6.74 Favored Pre-proline 0 CA--C 1.548 0.868 0 CA-C-N 116.399 -0.364 . . . . 64.33 111.79 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.534 ' HD3' ' N ' ' A' ' 86' ' ' LEU . 8.6 Cg_exo -72.08 172.17 15.27 Favored 'Trans proline' 0 CA--C 1.542 0.91 0 C-N-CA 122.309 2.006 . . . . 72.22 113.243 -177.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.56 -37.21 62.68 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.476 0.547 . . . . 44.34 112.476 -178.438 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.434 ' HE2' ' HG2' ' A' ' 87' ' ' PRO . 61.2 pttt -58.12 -24.41 58.66 Favored 'General case' 0 N--CA 1.473 0.678 0 N-CA-C 112.261 0.467 . . . . 60.02 112.261 -179.355 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 87.7 t -77.97 -56.07 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.522 0 CA-C-O 120.96 0.41 . . . . 73.11 110.988 176.538 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 18.4 ptpt -71.23 -4.61 26.65 Favored 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 116.271 -0.422 . . . . 60.45 111.566 178.391 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -61.55 -46.77 88.5 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 122.859 0.463 . . . . 64.32 111.141 173.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.583 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 4.0 mppt? -96.96 -55.93 2.71 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-N 116.57 -0.286 . . . . 74.54 111.763 178.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.401 ' HB2' ' O ' ' A' ' 93' ' ' LYS . 91.9 mt 67.39 106.2 0.05 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 CA-C-O 121.09 0.471 . . . . 52.14 111.637 -173.749 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 82.86 -44.73 3.3 Favored Glycine 0 CA--C 1.532 1.137 0 C-N-CA 121.07 -0.586 . . . . 75.34 113.835 177.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.583 ' HB ' ' HB3' ' A' ' 93' ' ' LYS . 31.4 t -58.16 139.28 18.02 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.721 0 CA-C-O 121.043 0.449 . . . . 73.53 112.092 -179.292 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -121.54 105.07 10.13 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-N 116.368 -0.378 . . . . 72.31 111.896 -177.715 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.471 HD23 ' N ' ' A' ' 98' ' ' LEU . 1.7 pt? -134.65 105.89 6.71 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.341 0.591 . . . . 65.1 110.405 175.636 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 mp0 -79.73 -52.99 7.24 Favored 'General case' 0 CA--C 1.538 0.507 0 CA-C-N 116.122 -0.49 . . . . 74.34 111.427 -176.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 97.8 m-70 -140.23 151.2 44.97 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-O 120.794 0.331 . . . . 74.23 111.107 176.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 41.7 m80 -82.61 132.4 35.19 Favored 'General case' 0 N--CA 1.471 0.6 0 N-CA-C 112.448 0.536 . . . . 72.43 112.448 -178.077 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.0 m80 -136.83 98.4 3.77 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.87 -0.605 . . . . 74.2 110.143 171.2 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 13.2 t60 -65.11 -32.44 74.14 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.445 -0.343 . . . . 72.41 111.779 -176.003 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 23.1 p80 -174.97 164.17 3.36 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-O 121.097 0.475 . . . . 72.12 111.722 175.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 22.5 m-70 . . . . . 0 C--O 1.246 0.898 0 CA-C-O 118.675 -0.678 . . . . 74.02 110.053 168.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.7 mmt . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 120.673 0.273 . . . . 72.14 111.034 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -77.74 93.75 4.34 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.214 0.531 . . . . 51.15 110.713 178.531 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.569 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.4 pt? -92.69 0.6 57.45 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-N 116.171 -0.468 . . . . 64.4 111.493 177.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 66.7 m-20 -84.92 -42.61 14.83 Favored 'General case' 0 CA--C 1.537 0.466 0 CA-C-N 116.346 -0.388 . . . . 64.53 111.76 -176.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 79.7 mtm180 -108.8 -57.35 2.15 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-N 116.473 -0.33 . . . . 74.04 111.498 -178.123 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 53.1 mtt 59.0 -169.48 0.13 Allowed 'General case' 0 CA--C 1.544 0.738 0 CA-C-O 121.317 0.58 . . . . 64.5 112.51 -177.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 140.85 21.89 0.28 Allowed Glycine 0 CA--C 1.531 1.034 0 CA-C-N 115.979 -0.555 . . . . 71.23 113.525 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.6 mptt 65.39 148.64 0.04 OUTLIER 'General case' 0 N--CA 1.479 0.98 0 CA-C-O 121.531 0.681 . . . . 72.03 112.657 -179.691 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.632 ' HA ' ' NZ ' ' A' ' 44' ' ' LYS . 71.4 m-20 -108.48 133.87 52.04 Favored 'General case' 0 C--O 1.235 0.317 0 CA-C-O 121.166 0.508 . . . . 74.04 110.861 173.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.422 ' HG2' ' O ' ' A' ' 10' ' ' GLU . 0.1 OUTLIER -126.12 102.34 7.17 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.586 0.708 . . . . 75.12 111.098 -174.799 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.568 ' HB2' ' HB ' ' A' ' 67' ' ' VAL . 90.9 m-85 -92.46 104.18 16.52 Favored 'General case' 0 C--N 1.327 -0.386 0 O-C-N 121.927 -0.483 . . . . 73.23 110.548 -179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 58.8 m-85 -87.11 101.6 13.64 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.11 0.481 . . . . 71.24 111.028 178.021 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.403 ' CG1' ' HA2' ' A' ' 41' ' ' GLY . 36.0 m -123.85 173.86 9.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.061 -0.518 . . . . 74.32 111.912 -176.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -122.22 170.08 10.26 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 120.931 0.396 . . . . 74.01 110.714 175.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 49.6 mm -70.55 90.89 0.33 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 121.132 0.491 . . . . 72.44 112.035 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.3 p -80.41 -67.3 0.78 Allowed 'General case' 0 N--CA 1.469 0.509 0 CA-C-N 116.266 -0.424 . . . . 43.22 110.9 176.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.6 m -96.17 119.72 44.6 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-O 121.191 0.519 . . . . 74.22 111.288 175.736 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.6 p-10 -130.39 160.69 33.26 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.111 0.482 . . . . 71.01 111.882 179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.78 8.45 68.09 Favored Glycine 0 CA--C 1.532 1.134 0 N-CA-C 114.581 0.593 . . . . 44.15 114.581 177.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.442 ' HD3' ' HB3' ' A' ' 36' ' ' GLU . 66.0 tttm -70.28 91.29 0.73 Allowed 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 117.697 0.749 . . . . 63.44 110.431 177.51 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -79.29 96.48 5.97 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 115.949 -0.569 . . . . 65.32 111.501 -175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 34' ' ' ASP . 17.1 m -75.08 78.95 0.51 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-O 122.274 1.035 . . . . 74.43 110.801 176.716 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.461 ' NE2' ' HB2' ' A' ' 30' ' ' GLN . 68.6 t60 -92.37 9.52 33.79 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 114.886 -1.052 . . . . 70.52 111.169 -178.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 38.4 t -92.73 67.13 4.48 Favored 'General case' 0 CA--C 1.54 0.566 0 N-CA-C 112.381 0.512 . . . . 41.41 112.381 -174.772 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.488 ' O ' ' HG2' ' A' ' 25' ' ' LYS . 86.5 tttt -170.01 14.35 0.02 OUTLIER 'General case' 0 N--CA 1.478 0.937 0 CA-C-O 121.088 0.471 . . . . 64.2 111.267 174.192 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -64.41 -62.24 1.72 Allowed 'General case' 0 CA--C 1.535 0.393 0 N-CA-C 112.62 0.6 . . . . 60.51 112.62 -172.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.3 t70 61.43 94.9 0.04 OUTLIER 'General case' 0 CA--C 1.548 0.89 0 CA-C-O 121.034 0.445 . . . . 44.22 112.15 177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 26.2 m-80 57.94 30.06 18.58 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 112.735 0.643 . . . . 73.03 112.735 175.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 176.81 60.75 0.06 OUTLIER Glycine 0 CA--C 1.527 0.817 0 C-N-CA 120.644 -0.789 . . . . 74.14 113.363 -177.681 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.461 ' HB2' ' NE2' ' A' ' 23' ' ' HIS . 23.5 pt20 -89.13 86.88 6.98 Favored 'General case' 0 CA--C 1.539 0.536 0 N-CA-C 112.784 0.661 . . . . 73.11 112.784 -176.117 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 96.9 mttt -133.74 22.57 3.93 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-N 116.171 -0.468 . . . . 74.12 111.558 177.344 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 40.6 p90 -142.44 158.21 43.94 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.19 0.519 . . . . 73.05 111.651 179.524 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -140.76 152.76 45.5 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-N 115.874 -0.603 . . . . 74.22 111.646 176.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.447 ' HB2' HG23 ' A' ' 22' ' ' VAL . 8.7 m-20 -131.3 150.97 51.93 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.905 -0.589 . . . . 74.44 110.12 173.125 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 90.5 m-85 -104.28 129.68 52.1 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.617 0.246 . . . . 75.11 111.381 -179.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.442 ' HB3' ' HD3' ' A' ' 20' ' ' LYS . 42.0 tt0 -100.56 127.42 46.94 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.88 0.372 . . . . 74.31 111.343 179.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 60.4 m-85 -117.8 94.5 4.55 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.032 0.444 . . . . 72.05 111.287 176.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.53 ' HA ' ' HA ' ' A' ' 52' ' ' GLU . 87.9 tttt -94.82 93.01 7.23 Favored 'General case' 0 CA--C 1.536 0.429 0 CA-C-O 121.231 0.538 . . . . 74.14 109.809 173.386 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 26.4 mt -104.55 146.7 28.52 Favored 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 116.025 -0.534 . . . . 73.34 111.62 -172.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 84.9 m -82.65 99.61 9.69 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-O 120.997 0.427 . . . . 74.44 111.618 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.403 ' HA2' ' CG1' ' A' ' 13' ' ' VAL . . . -88.25 130.47 10.13 Favored Glycine 0 CA--C 1.525 0.686 0 CA-C-N 116.239 -0.437 . . . . 54.24 113.085 178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -90.36 117.42 29.07 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-O 121.325 0.583 . . . . 65.33 111.352 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -75.38 164.87 25.95 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-N 115.665 -0.698 . . . . 41.33 111.84 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.632 ' NZ ' ' HA ' ' A' ' 9' ' ' ASP . 63.1 mttp -55.93 -34.31 65.51 Favored 'General case' 0 N--CA 1.47 0.567 0 N-CA-C 112.144 0.424 . . . . 70.22 112.144 179.301 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 63.5 m-20 -76.86 0.96 18.88 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 112.201 0.445 . . . . 61.1 112.201 179.115 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 87.46 5.18 79.46 Favored Glycine 0 CA--C 1.525 0.668 0 C-N-CA 121.393 -0.432 . . . . 54.44 112.815 -177.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 93.4 mttt -74.44 156.86 36.52 Favored 'General case' 0 N--CA 1.468 0.453 0 O-C-N 122.622 -0.34 . . . . 70.11 111.688 -178.633 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -110.99 102.29 10.78 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 121.562 0.696 . . . . 71.35 111.073 178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 96.6 mttt -105.98 145.09 31.79 Favored 'General case' 0 N--CA 1.468 0.446 0 CA-C-N 115.816 -0.629 . . . . 64.42 110.928 -179.284 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.48 115.99 28.26 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-O 121.461 0.648 . . . . 71.1 111.713 179.36 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.421 HD22 ' N ' ' A' ' 51' ' ' LEU . 3.2 mm? -101.63 105.49 16.43 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.253 -0.43 . . . . 73.53 110.663 178.197 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.53 ' HA ' ' HA ' ' A' ' 38' ' ' LYS . 9.5 pt-20 -98.48 117.29 32.59 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.139 0.495 . . . . 64.54 111.531 179.255 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 40.2 p90 -140.35 139.87 35.46 Favored 'General case' 0 N--CA 1.467 0.38 0 CA-C-O 121.001 0.429 . . . . 73.23 111.34 176.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 36.9 p -89.35 143.99 26.41 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.202 0.525 . . . . 75.23 111.451 178.132 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -126.77 165.53 19.11 Favored 'General case' 0 CA--C 1.535 0.395 0 CA-C-O 121.463 0.649 . . . . 65.4 112.045 -176.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.4 pt20 -83.51 -25.39 31.11 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-N 115.501 -0.772 . . . . 71.42 112.605 -178.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.543 ' NZ ' ' HB3' ' A' ' 57' ' ' LYS . 7.9 mtpm? -138.09 170.84 15.33 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 121.084 0.469 . . . . 70.11 111.938 -173.776 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 80.3 m-20 -72.26 103.39 3.36 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-N 115.807 -0.633 . . . . 64.31 109.601 170.188 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.0 mt -63.28 149.54 45.36 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-O 120.796 0.331 . . . . 61.02 111.474 -176.506 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 60' ' ' ARG . 54.1 mtt180 -57.15 109.68 0.7 Allowed 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.553 0.575 . . . . 75.51 112.553 -175.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.466 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 28.4 mtpp -61.29 137.72 58.24 Favored 'General case' 0 CA--C 1.542 0.668 0 CA-C-N 116.323 -0.399 . . . . 75.1 110.769 175.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.466 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 51.8 mm-40 73.72 10.63 4.74 Favored 'General case' 0 N--CA 1.482 1.14 0 C-N-CA 123.459 0.703 . . . . 64.1 112.829 -173.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -94.92 155.73 16.64 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-O 120.804 0.335 . . . . 65.43 110.875 173.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -101.22 117.42 34.95 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-O 121.163 0.506 . . . . 32.31 111.559 -177.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.517 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 92.3 mt -93.04 119.6 32.45 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.244 -0.434 . . . . 62.43 111.711 179.294 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.452 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 42.9 ttm180 -82.04 90.29 6.5 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.384 -0.371 . . . . 71.33 110.08 173.211 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.568 ' HB ' ' HB2' ' A' ' 11' ' ' TYR . 59.6 t -84.6 123.18 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.576 0.703 . . . . 74.41 111.928 -177.577 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 8.1 t80 -88.59 126.66 35.39 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 115.105 -0.952 . . . . 73.41 111.404 178.538 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 9' ' ' ASP . 11.7 t-160 -74.56 121.32 21.39 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.995 -0.548 . . . . 70.41 110.876 -179.559 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 34.1 t -129.59 177.21 7.38 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-O 121.103 0.478 . . . . 73.51 112.126 -176.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -95.9 -54.39 3.35 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.854 -0.612 . . . . 70.14 112.02 -176.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 18.8 ptpt -48.94 -41.04 32.54 Favored 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 113.883 1.068 . . . . 74.44 113.883 -170.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 26.4 tptp -150.77 28.28 0.7 Allowed 'General case' 0 N--CA 1.471 0.605 0 CA-C-O 121.483 0.659 . . . . 53.2 111.05 -177.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.03 -47.95 2.66 Favored Glycine 0 CA--C 1.53 0.975 0 C-N-CA 121.081 -0.581 . . . . 74.21 113.11 -177.159 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -117.31 146.31 21.93 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 120.907 0.384 . . . . 71.2 110.876 176.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 42.6 t -135.88 -35.94 0.77 Allowed 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 121.116 0.484 . . . . 71.43 111.255 177.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -138.4 146.62 42.44 Favored 'General case' 0 CA--C 1.537 0.461 0 CA-C-N 116.381 -0.372 . . . . 70.34 111.678 -179.227 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.452 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 63.4 p-90 -151.78 144.44 24.28 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 121.023 0.439 . . . . 75.31 111.289 176.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.517 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 37.9 mt-10 -115.32 143.24 45.57 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-O 121.032 0.444 . . . . 72.32 111.191 176.437 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' HA ' HD23 ' A' ' 65' ' ' LEU . 42.6 tt0 -101.25 91.94 4.73 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.972 -0.558 . . . . 74.53 110.242 -179.493 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.412 ' HB ' ' HG3' ' A' ' 85' ' ' GLU . 30.3 m -112.89 176.02 1.95 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.596 0 CA-C-O 121.365 0.602 . . . . 75.33 112.436 -175.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 ptpt -119.1 170.12 9.34 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.935 -0.575 . . . . 75.41 112.078 -176.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.421 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -60.74 -21.9 63.47 Favored 'General case' 0 N--CA 1.477 0.895 0 N-CA-C 112.099 0.407 . . . . 64.35 112.099 178.882 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -61.15 -24.16 66.08 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-O 121.27 0.557 . . . . 75.22 110.812 174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.412 ' HG3' ' HB ' ' A' ' 81' ' ' VAL . 26.9 mm-40 -86.42 -51.17 6.38 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.873 -0.603 . . . . 63.14 111.034 174.87 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.444 ' HB3' HG21 ' A' ' 90' ' ' VAL . 82.9 mt -93.78 114.91 64.3 Favored Pre-proline 0 CA--C 1.541 0.634 0 CA-C-N 115.946 -0.57 . . . . 71.15 111.822 -177.203 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_endo -64.32 162.21 31.24 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.403 2.069 . . . . 61.03 113.035 -178.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.65 -21.47 4.0 Favored 'General case' 0 N--CA 1.473 0.718 0 N-CA-C 112.624 0.602 . . . . 70.14 112.624 -178.303 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.442 ' HE3' ' HA ' ' A' ' 89' ' ' LYS . 0.7 OUTLIER -45.55 -32.25 2.18 Favored 'General case' 0 N--CA 1.475 0.779 0 C-N-CA 122.704 0.402 . . . . 63.41 111.804 176.066 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.444 HG21 ' HB3' ' A' ' 86' ' ' LEU . 67.4 t -60.53 -59.55 3.99 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.68 0 CA-C-O 120.827 0.346 . . . . 62.22 111.374 176.507 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.9 mttt -74.75 -25.38 59.05 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.355 0.502 . . . . 64.4 112.355 -176.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.02 -45.42 18.42 Favored 'General case' 0 N--CA 1.47 0.553 0 N-CA-C 112.17 0.433 . . . . 73.33 112.17 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.422 ' O ' ' HB2' ' A' ' 94' ' ' LEU . 4.6 mptp? -93.75 -60.53 1.74 Allowed 'General case' 0 CA--C 1.538 0.502 0 O-C-N 122.135 -0.353 . . . . 71.43 111.692 -178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.564 HD22 HG13 ' A' ' 96' ' ' VAL . 4.9 tt 175.44 -42.42 0.01 OUTLIER 'General case' 0 N--CA 1.477 0.876 0 CA-C-O 121.043 0.449 . . . . 45.11 110.473 -176.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 120.35 -13.79 10.21 Favored Glycine 0 CA--C 1.524 0.601 0 CA-C-N 116.055 -0.521 . . . . 35.21 111.814 -173.57 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.564 HG13 HD22 ' A' ' 94' ' ' LEU . 29.0 m -59.47 152.64 4.4 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.538 0 CA-C-O 121.246 0.546 . . . . 73.13 112.199 177.128 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -89.07 126.7 35.55 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-N 116.256 -0.429 . . . . 44.11 110.958 179.671 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 98' ' ' LEU . 1.5 pt? -138.81 84.54 2.02 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.492 0.663 . . . . 73.1 111.11 -178.755 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.531 ' HG3' ' H ' ' A' ' 101' ' ' HIS . 8.1 pt-20 -149.76 -26.41 0.26 Allowed 'General case' 0 N--CA 1.471 0.607 0 N-CA-C 112.906 0.706 . . . . 62.21 112.906 -173.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 36.6 t-80 62.28 27.28 16.33 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-O 121.472 0.653 . . . . 75.53 110.482 -178.209 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.531 ' H ' ' HG3' ' A' ' 99' ' ' GLU . 3.8 t-160 -85.41 106.71 16.97 Favored 'General case' 0 CA--C 1.537 0.459 0 CA-C-N 115.925 -0.579 . . . . 74.13 111.452 -176.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.7 t-80 -177.81 102.94 0.05 OUTLIER 'General case' 0 N--CA 1.468 0.439 0 CA-C-N 116.074 -0.512 . . . . 73.34 110.126 173.777 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 41.0 t60 -70.14 120.02 15.21 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-O 121.162 0.506 . . . . 72.23 112.265 -174.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . 0.471 ' O ' ' HB2' ' A' ' 105' ' ' HIS . 1.8 p80 -138.45 108.98 6.54 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 115.736 -0.666 . . . . 74.34 109.452 171.592 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . 0.471 ' HB2' ' O ' ' A' ' 104' ' ' HIS . 60.9 m80 . . . . . 0 C--O 1.253 1.273 0 CA-C-O 118.379 -0.819 . . . . 63.54 111.394 -169.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.421 ' HG3' ' O ' ' A' ' 1' ' ' MET . 25.3 ptt? . . . . . 0 N--CA 1.488 1.433 0 CA-C-O 121.204 0.526 . . . . 75.32 111.548 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -84.39 127.1 33.81 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-O 121.11 0.481 . . . . 64.54 111.54 178.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 78.1 mt -81.34 8.07 10.05 Favored 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 116.351 -0.386 . . . . 74.11 111.954 -178.055 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.9 m-80 -70.8 115.9 10.48 Favored 'General case' 0 N--CA 1.469 0.487 0 N-CA-C 111.791 0.293 . . . . 73.23 111.791 -179.378 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 76.3 mtm180 52.51 65.47 1.5 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.901 -0.591 . . . . 71.11 112.374 176.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.7 mtp -87.69 12.24 13.21 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 112.107 0.41 . . . . 74.44 112.107 177.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -107.18 132.47 11.15 Favored Glycine 0 CA--C 1.529 0.951 0 C-N-CA 120.771 -0.728 . . . . 63.53 113.894 -177.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.407 ' HB3' ' H ' ' A' ' 9' ' ' ASP . 13.9 mptt -83.94 -141.38 0.07 Allowed 'General case' 0 CA--C 1.554 1.11 0 C-N-CA 122.482 0.313 . . . . 74.33 110.175 171.25 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.699 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 4.7 m-20 -69.82 143.43 52.9 Favored 'General case' 0 CA--C 1.544 0.721 0 O-C-N 121.645 -0.659 . . . . 74.41 111.623 -179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.559 ' HG2' HH21 ' A' ' 66' ' ' ARG . 7.1 tp10 -126.81 107.81 10.47 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.353 -0.385 . . . . 62.21 110.92 -176.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.464 ' HB2' HG23 ' A' ' 67' ' ' VAL . 9.3 m-85 -96.17 129.79 43.39 Favored 'General case' 0 N--CA 1.473 0.708 0 CA-C-O 121.139 0.495 . . . . 72.31 111.796 -178.336 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 67.4 m-85 -100.29 101.91 13.03 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-N 116.076 -0.511 . . . . 75.33 111.568 -178.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.4 m -122.87 -179.56 2.11 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 CA-C-N 116.429 -0.35 . . . . 72.12 111.586 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 -134.71 160.65 37.5 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 120.807 0.337 . . . . 53.42 111.097 174.442 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.5 mm -64.9 107.3 0.67 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.669 0 CA-C-O 121.141 0.496 . . . . 74.05 111.986 -178.308 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 54.7 p -86.99 -64.56 1.13 Allowed 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 116.102 -0.499 . . . . 73.15 111.631 179.207 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.9 m -128.66 137.67 56.68 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.528 0 CA-C-O 120.928 0.394 . . . . 65.54 111.859 -179.61 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -131.02 -173.94 3.24 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.175 0.512 . . . . 64.45 111.44 176.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 73.9 -6.4 19.86 Favored Glycine 0 CA--C 1.529 0.917 0 N-CA-C 114.603 0.601 . . . . 65.23 114.603 178.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.44 ' HB3' ' HE2' ' A' ' 20' ' ' LYS . 47.6 mtpt -70.62 90.47 0.76 Allowed 'General case' 0 N--CA 1.469 0.475 0 CA-C-N 117.765 0.783 . . . . 74.4 110.365 172.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.535 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 9.8 pt-20 -82.1 108.33 15.49 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.706 0.765 . . . . 73.25 112.048 -175.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.438 HG23 ' O ' ' A' ' 22' ' ' VAL . 22.6 m -89.26 100.24 10.48 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 CA-C-O 121.928 0.87 . . . . 72.44 111.373 -178.69 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 m170 -72.06 34.1 0.06 Allowed 'General case' 0 CA--C 1.55 0.979 0 CA-C-N 115.415 -0.811 . . . . 74.33 111.443 174.674 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t -87.9 30.85 0.81 Allowed 'General case' 0 N--CA 1.477 0.911 0 N-CA-C 112.429 0.529 . . . . 65.2 112.429 -170.594 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 65.5 mttp -136.13 27.97 3.17 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.217 0.532 . . . . 73.2 110.058 175.438 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.484 ' HA ' ' HB2' ' A' ' 30' ' ' GLN . . . -112.11 10.16 20.29 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 113.529 0.937 . . . . 71.33 113.529 -170.574 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -55.74 -29.87 60.26 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.382 0.882 . . . . 73.35 113.382 -176.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 48.0 t30 -77.06 -18.37 58.12 Favored 'General case' 0 N--CA 1.473 0.709 0 CA-C-O 121.032 0.444 . . . . 75.22 111.785 178.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.67 45.43 0.43 Allowed Glycine 0 CA--C 1.524 0.639 0 C-N-CA 121.412 -0.423 . . . . 60.11 112.271 -176.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.484 ' HB2' ' HA ' ' A' ' 26' ' ' ALA . 28.9 mm-40 -115.73 177.52 4.64 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-O 120.747 0.308 . . . . 73.44 111.427 -177.223 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -140.66 2.92 1.84 Allowed 'General case' 0 CA--C 1.547 0.847 0 N-CA-C 113.057 0.762 . . . . 65.2 113.057 -176.071 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 47.4 p90 -75.84 163.35 27.32 Favored 'General case' 0 N--CA 1.478 0.947 0 N-CA-C 112.27 0.471 . . . . 71.11 112.27 -176.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.535 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -128.74 161.47 29.65 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 113.014 0.746 . . . . 74.32 113.014 -170.456 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.425 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 14.6 m-20 -130.58 145.08 51.81 Favored 'General case' 0 CA--C 1.545 0.779 0 CA-C-N 115.193 -0.912 . . . . 65.32 109.777 166.521 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.2 m-85 -84.31 115.33 22.43 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-O 120.632 0.253 . . . . 52.11 111.504 -178.685 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -78.68 136.34 37.42 Favored 'General case' 0 N--CA 1.471 0.62 0 N-CA-C 112.125 0.417 . . . . 74.21 112.125 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.454 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 92.7 m-85 -126.66 100.21 6.11 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-N 116.077 -0.51 . . . . 72.53 110.544 174.612 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.483 ' HG2' ' HB3' ' A' ' 52' ' ' GLU . 13.9 tmtt? -110.65 124.12 51.3 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-N 116.098 -0.501 . . . . 71.51 110.158 -177.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -155.81 165.71 35.69 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.381 0.61 . . . . 75.01 112.597 -174.434 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 37.2 m -90.02 115.95 27.68 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-N 116.247 -0.433 . . . . 74.24 111.25 178.32 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.79 109.94 3.42 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.157 -0.544 . . . . 63.4 112.775 178.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.49 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 2.3 p90 -110.8 122.36 47.64 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-O 121.154 0.502 . . . . 61.13 111.68 177.179 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.403 ' CG ' ' H ' ' A' ' 44' ' ' LYS . 28.0 t70 -156.13 -176.57 6.03 Favored 'General case' 0 CA--C 1.547 0.848 0 CA-C-N 115.81 -0.632 . . . . 75.34 110.563 -173.852 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.403 ' H ' ' CG ' ' A' ' 43' ' ' ASP . 34.0 tptt 82.22 -61.86 0.16 Allowed 'General case' 0 N--CA 1.471 0.597 0 C-N-CA 123.847 0.859 . . . . 74.32 111.385 174.485 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 27.0 t70 -162.63 35.04 0.11 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-O 121.434 0.635 . . . . 72.22 111.081 178.347 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 84.75 44.17 6.53 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 121.059 -0.591 . . . . 65.43 113.761 176.734 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 91.6 mttt -124.51 144.93 49.84 Favored 'General case' 0 N--CA 1.471 0.583 0 O-C-N 122.49 -0.418 . . . . 73.32 110.444 175.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 40.8 mt-10 -94.93 140.86 29.35 Favored 'General case' 0 N--CA 1.473 0.691 0 CA-C-O 121.043 0.449 . . . . 75.12 111.353 -175.434 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.8 ttmm -138.27 149.0 45.3 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.065 0.459 . . . . 63.32 111.327 177.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -86.0 108.98 18.47 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.043 0.449 . . . . 63.5 111.715 -179.41 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -114.7 133.37 55.93 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 120.881 0.372 . . . . 75.53 111.012 177.229 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.483 ' HB3' ' HG2' ' A' ' 38' ' ' LYS . 10.4 pt-20 -150.4 114.41 5.07 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 121.333 0.587 . . . . 73.54 111.678 178.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 42.5 p90 -125.67 159.5 32.08 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 116.142 -0.481 . . . . 74.12 111.189 -178.409 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.425 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 71.7 p -116.33 118.69 33.44 Favored 'General case' 0 N--CA 1.475 0.791 0 CA-C-O 121.08 0.467 . . . . 74.21 112.256 -178.286 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.66 146.16 25.6 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.029 0.443 . . . . 72.15 111.507 178.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 -73.91 -24.22 59.66 Favored 'General case' 0 CA--C 1.542 0.648 0 CA-C-O 121.215 0.531 . . . . 73.21 111.431 179.01 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.8 tttm -120.77 150.09 41.53 Favored 'General case' 0 N--CA 1.469 0.497 0 CA-C-N 116.01 -0.541 . . . . 72.01 110.532 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 27.1 t-20 -71.67 115.49 10.92 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.977 0.418 . . . . 73.42 110.031 175.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.7 mt -78.43 -174.04 3.6 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 116.15 -0.477 . . . . 74.22 112.21 -175.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.409 ' C ' ' HD2' ' A' ' 61' ' ' LYS . 92.6 mtt180 -57.7 178.16 0.09 Allowed 'General case' 0 N--CA 1.474 0.73 0 CA-C-O 121.237 0.541 . . . . 73.51 111.596 176.551 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.51 ' N ' ' HD2' ' A' ' 61' ' ' LYS . 2.7 mptp? -120.16 -72.03 0.71 Allowed 'General case' 0 N--CA 1.47 0.537 0 O-C-N 122.105 -0.372 . . . . 74.41 110.809 173.176 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 -79.21 73.67 5.8 Favored 'General case' 0 CA--C 1.54 0.594 0 CA-C-O 121.548 0.69 . . . . 65.51 110.975 175.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -164.2 165.09 22.36 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.831 -0.622 . . . . 42.03 111.16 178.253 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 82.9 m-85 -103.12 163.06 12.45 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 121.545 0.688 . . . . 75.33 111.958 -178.295 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.55 HD21 ' HB2' ' A' ' 78' ' ' TRP . 3.5 tt -148.14 126.44 12.26 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.6 -0.727 . . . . 65.05 109.588 -175.642 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.559 HH21 ' HG2' ' A' ' 10' ' ' GLU . 77.5 mtp180 -88.97 121.93 31.82 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 116.619 -0.264 . . . . 74.42 110.447 179.377 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.464 HG23 ' HB2' ' A' ' 11' ' ' TYR . 28.3 m -112.62 120.06 61.85 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.369 0 CA-C-O 122.202 1.001 . . . . 72.2 112.022 -176.124 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.45 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 24.2 t80 -69.92 99.21 1.37 Allowed 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 114.33 -1.305 . . . . 73.31 111.655 -176.061 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.699 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 38.3 t-80 -80.1 98.25 7.19 Favored 'General case' 0 CA--C 1.533 0.323 0 CA-C-O 121.0 0.428 . . . . 72.12 111.391 179.268 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.8 t -99.05 154.0 18.44 Favored 'General case' 0 N--CA 1.467 0.407 0 CA-C-N 116.071 -0.513 . . . . 54.01 110.338 172.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -61.94 -16.4 50.69 Favored 'General case' 0 CA--C 1.542 0.656 0 N-CA-C 112.809 0.67 . . . . 74.32 112.809 -176.759 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -72.92 -10.89 60.3 Favored 'General case' 0 CA--C 1.544 0.742 0 N-CA-C 112.0 0.37 . . . . 74.54 112.0 176.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 98.0 mttt 67.35 178.62 0.23 Allowed 'General case' 0 N--CA 1.476 0.86 0 CA-C-O 121.166 0.507 . . . . 63.35 112.01 -176.33 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 72.64 1.52 53.55 Favored Glycine 0 CA--C 1.529 0.928 0 CA-C-N 116.092 -0.504 . . . . 72.14 113.795 177.716 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 74.1 t 66.4 125.56 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.472 0.638 0 CA-C-O 121.655 0.74 . . . . 62.54 112.222 -177.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.45 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 45.2 t -81.63 -37.56 27.37 Favored 'General case' 0 N--CA 1.473 0.693 0 CA-C-N 116.016 -0.538 . . . . 75.33 111.477 -179.406 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . 0.42 ' H ' ' HB3' ' A' ' 68' ' ' TYR . . . -154.57 157.51 38.37 Favored 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 116.463 -0.335 . . . . 73.54 111.001 179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.55 ' HB2' HD21 ' A' ' 65' ' ' LEU . 66.1 p-90 -136.25 119.42 16.6 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-O 121.062 0.458 . . . . 75.41 111.272 179.688 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 4.0 mm-40 -108.87 125.8 52.38 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 120.892 0.377 . . . . 75.21 110.673 -178.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.9 tt0 -88.06 121.37 30.39 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.78 0.324 . . . . 61.25 111.307 -175.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -131.04 -178.5 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.875 0 CA-C-O 121.572 0.701 . . . . 54.31 112.817 -173.258 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 33.7 mtmm -115.33 167.29 10.98 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 115.835 -0.621 . . . . 74.22 110.783 177.132 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 2.2 pptp? -70.02 -20.86 63.24 Favored 'General case' 0 N--CA 1.475 0.814 0 N-CA-C 112.185 0.439 . . . . 72.24 112.185 -177.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -68.28 -21.35 64.8 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-O 121.029 0.442 . . . . 75.5 111.5 176.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.0 mt-10 -96.06 4.85 52.25 Favored 'General case' 0 CA--C 1.538 0.501 0 CA-C-N 116.237 -0.438 . . . . 74.11 111.987 -175.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 47.0 mt -101.41 150.2 37.01 Favored Pre-proline 0 CA--C 1.539 0.53 0 CA-C-N 116.348 -0.387 . . . . 74.12 111.049 178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.439 ' HG2' HG23 ' A' ' 90' ' ' VAL . 15.8 Cg_endo -57.54 143.04 95.53 Favored 'Trans proline' 0 CA--C 1.54 0.798 0 C-N-CA 122.278 1.985 . . . . 51.23 112.289 176.064 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.99 -32.35 61.67 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 112.299 0.481 . . . . 65.1 112.299 -175.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.864 ' HB3' HG23 ' A' ' 96' ' ' VAL . 40.3 mmtm -56.3 -35.45 67.53 Favored 'General case' 0 N--CA 1.469 0.512 0 N-CA-C 112.234 0.457 . . . . 70.01 112.234 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.439 HG23 ' HG2' ' A' ' 87' ' ' PRO . 66.6 t -68.3 -40.43 82.52 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.648 0 CA-C-O 121.077 0.465 . . . . 52.34 111.333 179.34 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -80.64 -25.92 38.03 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.975 -0.557 . . . . 71.21 111.608 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -95.68 -54.25 3.42 Favored 'General case' 0 N--CA 1.47 0.548 0 N-CA-C 112.921 0.712 . . . . 73.1 112.921 -175.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 56.6 tptt -109.82 -43.34 4.04 Favored 'General case' 0 CA--C 1.541 0.599 0 N-CA-C 113.058 0.762 . . . . 60.13 113.058 -168.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.9 tt 71.97 123.1 0.03 OUTLIER 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 123.174 0.589 . . . . 64.13 110.659 -174.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.27 -46.47 1.16 Allowed Glycine 0 N--CA 1.468 0.781 0 C-N-CA 121.485 -0.388 . . . . 72.33 112.689 -178.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.864 HG23 ' HB3' ' A' ' 89' ' ' LYS . 30.3 m -84.44 161.23 3.23 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.679 0 O-C-N 122.761 -0.258 . . . . 64.33 110.852 175.182 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 13.7 ptmm? -144.18 0.05 1.02 Allowed 'General case' 0 N--CA 1.478 0.938 0 N-CA-C 114.477 1.288 . . . . 74.13 114.477 -167.353 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 22.6 tp -103.65 132.24 50.08 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.691 -0.631 . . . . 52.14 112.61 -173.546 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.564 ' OE2' ' HG2' ' A' ' 89' ' ' LYS . 81.6 mm-40 -105.7 -86.11 0.48 Allowed 'General case' 0 CA--C 1.542 0.665 0 N-CA-C 112.005 0.372 . . . . 74.24 112.005 178.344 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 73.7 m-70 50.61 87.71 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.842 0 N-CA-C 112.886 0.698 . . . . 72.31 112.886 -174.03 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 40.3 m80 -116.71 108.68 16.2 Favored 'General case' 0 N--CA 1.469 0.51 0 CA-C-O 120.875 0.369 . . . . 70.12 110.936 173.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 68.0 m80 62.64 85.54 0.13 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-N 115.81 -0.632 . . . . 71.14 111.611 -175.652 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -72.02 107.12 4.57 Favored 'General case' 0 CA--C 1.537 0.463 0 N-CA-C 109.147 -0.686 . . . . 73.4 109.147 175.277 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 59.0 m80 -66.01 94.9 0.25 Allowed 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 113.39 0.885 . . . . 75.32 113.39 -170.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.4 t-80 . . . . . 0 C--O 1.255 1.35 0 CA-C-N 115.405 -0.816 . . . . 72.13 113.028 171.893 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.528 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.526 0 CA-C-O 121.154 0.502 . . . . 75.22 111.397 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -90.55 76.14 6.61 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 120.962 0.41 . . . . 73.34 111.767 -177.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 3' ' ' LEU . 2.3 pt? -55.93 -19.88 13.89 Favored 'General case' 0 N--CA 1.478 0.932 0 N-CA-C 112.482 0.549 . . . . 64.54 112.482 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -62.68 -28.05 69.67 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-O 120.962 0.41 . . . . 75.03 111.743 179.243 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 1.2 ptm180 -122.72 8.99 9.47 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.445 -0.343 . . . . 71.23 111.807 179.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 63.5 mtt -125.15 132.4 53.07 Favored 'General case' 0 N--CA 1.472 0.664 0 CA-C-O 120.951 0.405 . . . . 52.14 111.717 -177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 75.69 35.35 46.37 Favored Glycine 0 CA--C 1.526 0.758 0 C-N-CA 121.262 -0.494 . . . . 51.42 112.813 -178.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.49 ' HE2' ' HA ' ' A' ' 8' ' ' LYS . 11.2 mmpt? -99.97 151.14 21.68 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-O 120.697 0.284 . . . . 52.23 111.328 -177.138 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.485 ' HB3' ' HB3' ' A' ' 69' ' ' HIS . 18.8 m-20 -75.17 112.37 11.37 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.692 0.282 . . . . 62.22 111.721 175.163 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' HB2' ' HG3' ' A' ' 66' ' ' ARG . 13.0 pt-20 -106.61 120.73 42.74 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-O 121.174 0.511 . . . . 74.33 111.256 176.171 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -116.82 134.51 54.69 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 116.192 -0.458 . . . . 74.34 111.292 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 98.1 m-85 -95.16 100.44 12.25 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 121.062 0.458 . . . . 73.53 110.919 176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.6 m -120.42 141.18 41.9 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.589 0 CA-C-O 120.862 0.363 . . . . 62.23 111.853 -176.279 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.3 pt20 -92.19 139.19 30.87 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.761 0.315 . . . . 63.23 110.904 179.398 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.671 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 22.3 mm -66.14 125.24 22.93 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.506 0 CA-C-O 121.04 0.448 . . . . 72.33 111.023 177.368 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 61.8 p -84.52 -71.18 0.53 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.986 -0.552 . . . . 72.44 111.897 -177.527 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.7 m -119.6 148.66 22.47 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.453 0 CA-C-O 120.916 0.389 . . . . 61.1 111.51 -179.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -130.2 172.3 11.95 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.156 0.503 . . . . 42.35 111.513 179.34 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.51 7.29 64.14 Favored Glycine 0 CA--C 1.531 1.088 0 N-CA-C 114.821 0.689 . . . . 61.41 114.821 176.766 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -87.09 91.01 8.56 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 117.77 0.785 . . . . 64.44 110.878 176.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -72.75 138.76 46.7 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 121.057 0.456 . . . . 54.23 111.76 -178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 26.1 m -80.3 64.2 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 CA-C-O 121.642 0.735 . . . . 45.11 111.183 176.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 75.5 t60 -79.21 38.34 0.35 Allowed 'General case' 0 CA--C 1.548 0.894 0 CA-C-N 115.992 -0.549 . . . . 74.21 110.922 -177.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -55.04 -53.23 58.5 Favored 'General case' 0 N--CA 1.473 0.709 0 N-CA-C 112.697 0.628 . . . . 71.4 112.697 -172.403 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -164.84 93.9 0.65 Allowed 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.829 0.824 . . . . 73.45 111.643 -175.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -83.32 8.32 13.87 Favored 'General case' 0 CA--C 1.541 0.632 0 CA-C-N 115.428 -0.805 . . . . 74.33 110.902 172.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -55.92 85.83 0.01 OUTLIER 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.881 -0.599 . . . . 75.1 111.717 179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 3.9 t30 178.46 -47.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.849 -0.614 . . . . 71.31 109.899 -177.094 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 153.93 -40.4 0.67 Allowed Glycine 0 CA--C 1.529 0.953 0 C-N-CA 121.041 -0.599 . . . . 62.31 113.472 -179.631 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.55 HE21 ' N ' ' A' ' 30' ' ' GLN . 0.0 OUTLIER -95.29 151.9 18.85 Favored 'General case' 0 N--CA 1.476 0.834 0 O-C-N 122.391 -0.476 . . . . 70.32 111.548 -179.1 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 9.0 mptt -82.48 129.96 35.01 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-O 120.792 0.33 . . . . 65.51 111.517 -178.542 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 49.2 m-85 -102.33 105.59 16.24 Favored 'General case' 0 C--O 1.236 0.382 0 CA-C-N 116.407 -0.36 . . . . 71.45 110.559 170.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.5 mttm -147.12 80.94 1.53 Allowed 'General case' 0 CA--C 1.542 0.642 0 N-CA-C 112.507 0.558 . . . . 65.13 112.507 -175.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.8 m-20 -115.39 144.71 43.39 Favored 'General case' 0 N--CA 1.471 0.617 0 N-CA-C 109.709 -0.478 . . . . 74.21 109.709 169.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -81.04 132.48 35.37 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-O 121.166 0.508 . . . . 72.33 112.036 -175.197 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.46 ' HA ' HG22 ' A' ' 54' ' ' THR . 33.1 tt0 -87.17 124.36 33.2 Favored 'General case' 0 N--CA 1.471 0.594 0 CA-C-N 115.595 -0.73 . . . . 74.13 111.518 -175.348 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.412 ' HB2' ' O ' ' A' ' 53' ' ' PHE . 98.6 m-85 -120.64 108.04 13.54 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-O 120.985 0.422 . . . . 75.11 111.595 177.088 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -117.86 116.09 26.27 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-N 116.007 -0.542 . . . . 70.04 110.562 178.716 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -143.62 154.7 43.82 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.012 0.434 . . . . 54.44 112.155 -176.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 44.7 m -108.7 123.55 49.17 Favored 'General case' 0 N--CA 1.469 0.502 0 CA-C-O 120.969 0.414 . . . . 73.45 111.863 -178.68 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -104.17 126.95 8.93 Favored Glycine 0 CA--C 1.525 0.708 0 CA-C-N 116.332 -0.394 . . . . 42.14 112.662 179.443 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 78.3 m-85 -103.25 106.26 16.74 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 120.757 0.313 . . . . 52.25 111.158 179.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 47' ' ' LYS . 26.2 t0 -163.08 174.1 12.67 Favored 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 116.649 -0.25 . . . . 74.03 110.937 -179.073 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.537 ' O ' ' HG2' ' A' ' 47' ' ' LYS . 40.8 ttmt 61.02 70.85 0.59 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.351 0.596 . . . . 73.41 111.131 -178.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 65.75 18.99 11.32 Favored 'General case' 0 N--CA 1.474 0.749 0 CA-C-N 115.69 -0.686 . . . . 72.24 112.679 176.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.86 20.88 17.47 Favored Glycine 0 CA--C 1.528 0.871 0 C-N-CA 121.228 -0.511 . . . . 53.45 114.122 176.323 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.537 ' HG2' ' O ' ' A' ' 44' ' ' LYS . 75.9 mmtt -69.47 121.36 16.84 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 117.149 0.475 . . . . 61.42 110.883 175.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -100.81 102.61 13.72 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 121.459 0.647 . . . . 72.45 110.872 176.205 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.451 ' O ' HD12 ' A' ' 51' ' ' LEU . 27.5 tptp -104.46 131.22 52.07 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.161 -0.472 . . . . 70.34 111.091 -179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -88.73 95.65 10.35 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.367 0.603 . . . . 72.35 110.615 172.392 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.575 HD22 HG21 ' A' ' 67' ' ' VAL . 3.9 mp -88.08 144.3 26.58 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-O 121.12 0.486 . . . . 73.24 111.219 -176.361 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 1.2 tm-20 -134.61 129.57 35.14 Favored 'General case' 0 CA--C 1.535 0.383 0 CA-C-N 116.144 -0.48 . . . . 73.42 110.988 -178.448 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.412 ' O ' ' HB2' ' A' ' 37' ' ' TYR . 21.1 p90 -150.97 130.4 12.91 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.302 -0.408 . . . . 74.5 111.302 177.118 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.46 HG22 ' HA ' ' A' ' 36' ' ' GLU . 44.6 p -100.14 129.73 46.2 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.958 0.408 . . . . 72.12 111.616 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -114.41 144.79 42.74 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.312 -0.403 . . . . 73.13 111.751 -177.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.9 pt20 -64.16 -28.69 69.93 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 112.109 0.411 . . . . 72.4 112.109 -179.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -134.87 156.87 48.19 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 120.865 0.364 . . . . 75.34 111.76 -176.298 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.7 p-10 -58.88 120.45 9.06 Favored 'General case' 0 CA--C 1.54 0.569 0 N-CA-C 112.814 0.672 . . . . 55.0 112.814 -176.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.1 mt -85.59 170.51 12.51 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.087 -0.506 . . . . 63.21 110.764 174.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.4 mtm180 -88.04 133.66 33.92 Favored 'General case' 0 CA--C 1.536 0.432 0 CA-C-O 120.979 0.418 . . . . 73.45 110.959 178.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.76 ' HD3' ' H ' ' A' ' 61' ' ' LYS . 0.1 OUTLIER -100.92 170.52 8.24 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 112.15 0.426 . . . . 72.34 112.15 -174.542 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.413 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 0.7 OUTLIER 74.33 -43.74 0.54 Allowed 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 123.42 0.688 . . . . 74.43 111.47 -175.386 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.91 161.12 30.46 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.001 0.429 . . . . 71.24 111.538 177.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 56.5 m-85 -100.38 157.54 16.55 Favored 'General case' 0 CA--C 1.539 0.525 0 CA-C-O 121.261 0.553 . . . . 71.51 112.186 -176.08 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.527 HD11 HG12 ' A' ' 15' ' ' ILE . 2.8 mp -131.4 145.37 51.78 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-N 116.08 -0.509 . . . . 61.34 110.39 173.214 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.409 ' HG3' ' HB2' ' A' ' 10' ' ' GLU . 39.2 ttm180 -81.44 98.28 8.16 Favored 'General case' 0 CA--C 1.533 0.3 0 N-CA-C 109.651 -0.5 . . . . 61.42 109.651 170.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.575 HG21 HD22 ' A' ' 51' ' ' LEU . 22.1 m -88.79 125.42 41.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 121.944 0.878 . . . . 74.22 111.867 -179.658 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.424 ' HE1' ' HD3' ' A' ' 8' ' ' LYS . 28.7 t80 -69.51 99.6 1.28 Allowed 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.519 -1.219 . . . . 70.5 110.572 176.731 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.485 ' HB3' ' HB3' ' A' ' 9' ' ' ASP . 13.0 t-80 -78.06 109.98 12.61 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-N 115.878 -0.601 . . . . 55.02 111.94 -177.807 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 29.4 t -125.11 132.69 53.08 Favored 'General case' 0 N--CA 1.468 0.449 0 CA-C-N 115.643 -0.708 . . . . 63.02 110.95 176.159 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -57.43 -17.33 12.54 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.015 0.376 . . . . 72.34 112.015 178.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 57.9 mttm -56.67 -62.48 1.7 Allowed 'General case' 0 CA--C 1.543 0.673 0 N-CA-C 111.997 0.369 . . . . 74.52 111.997 176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.8 tmtm? -139.12 19.86 2.61 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-O 121.832 0.825 . . . . 74.31 111.376 -174.104 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.478 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.22 -67.09 2.81 Favored Glycine 0 CA--C 1.525 0.706 0 C-N-CA 121.124 -0.56 . . . . 34.34 112.577 -177.577 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 58.4 t -128.52 110.86 22.18 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.626 0 CA-C-O 120.823 0.344 . . . . 50.51 111.387 178.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 68.7 m -103.65 -6.74 21.31 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 120.861 0.362 . . . . 50.24 111.372 176.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.88 151.0 23.12 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.602 -0.272 . . . . 54.34 111.418 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.5 ' HB3' HG12 ' A' ' 67' ' ' VAL . 14.2 p-90 -156.73 141.33 16.82 Favored 'General case' 0 N--CA 1.471 0.582 0 CA-C-O 120.832 0.349 . . . . 72.31 111.912 -177.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -136.72 147.72 46.91 Favored 'General case' 0 N--CA 1.474 0.726 0 CA-C-N 116.398 -0.365 . . . . 74.54 111.135 176.784 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 23.7 tt0 -79.18 139.86 37.88 Favored 'General case' 0 N--CA 1.473 0.707 0 N-CA-C 112.846 0.684 . . . . 73.34 112.846 -172.677 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 19.1 m -143.72 127.27 13.06 Favored 'Isoleucine or valine' 0 CA--C 1.548 0.876 0 C-N-CA 123.136 0.575 . . . . 73.4 110.667 173.301 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -73.87 134.49 43.28 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 121.801 -0.562 . . . . 70.24 111.656 -178.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.459 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -61.66 -18.48 59.73 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 116.034 -0.53 . . . . 73.31 111.707 -177.181 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -66.76 -20.35 65.94 Favored 'General case' 0 CA--C 1.54 0.585 0 N-CA-C 112.272 0.471 . . . . 72.03 112.272 -178.428 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -115.5 5.64 14.51 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 112.461 0.541 . . . . 71.34 112.461 -173.534 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.459 HD13 ' HA ' ' A' ' 83' ' ' LYS . 10.9 mp -78.82 143.09 61.68 Favored Pre-proline 0 N--CA 1.474 0.75 0 CA-C-O 120.657 0.265 . . . . 71.12 111.337 176.428 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.414 ' O ' HG12 ' A' ' 90' ' ' VAL . 24.8 Cg_endo -59.81 142.65 99.03 Favored 'Trans proline' 0 CA--C 1.541 0.863 0 C-N-CA 122.992 2.461 . . . . 61.23 113.771 -176.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -64.28 -28.53 69.78 Favored 'General case' 0 CA--C 1.541 0.617 0 N-CA-C 112.783 0.661 . . . . 44.35 112.783 -177.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.415 ' HD3' ' H ' ' A' ' 89' ' ' LYS . 4.1 mppt? -60.48 -35.5 76.06 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.379 0.511 . . . . 42.21 112.379 -176.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.414 HG12 ' O ' ' A' ' 87' ' ' PRO . 12.9 p -82.71 -33.62 10.97 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.656 0 CA-C-O 120.969 0.414 . . . . 42.42 110.955 176.635 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.531 ' O ' ' HD3' ' A' ' 91' ' ' LYS . 6.0 tmtm? -63.92 -26.85 68.78 Favored 'General case' 0 CA--C 1.544 0.737 0 CA-C-O 121.209 0.528 . . . . 74.24 110.136 177.113 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -53.11 -25.34 12.74 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 115.907 -0.588 . . . . 74.55 111.647 174.567 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.468 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 10.7 mptt -104.93 -41.94 5.47 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-O 120.996 0.427 . . . . 74.51 110.889 175.768 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -80.19 88.45 5.46 Favored 'General case' 0 CA--C 1.542 0.658 0 CA-C-O 121.334 0.587 . . . . 75.34 110.568 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.4 -45.06 1.36 Allowed Glycine 0 CA--C 1.526 0.731 0 CA-C-N 116.094 -0.503 . . . . 43.11 112.787 -179.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 57.4 t -92.45 155.88 3.07 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 120.93 0.395 . . . . 71.13 110.716 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 45.0 mmtm -101.57 110.63 22.66 Favored 'General case' 0 N--CA 1.467 0.398 0 O-C-N 122.169 -0.332 . . . . 71.23 111.693 177.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.461 HD23 ' H ' ' A' ' 98' ' ' LEU . 1.9 pt? -56.77 97.91 0.03 OUTLIER 'General case' 0 CA--C 1.546 0.814 0 CA-C-O 121.853 0.835 . . . . 63.34 111.098 174.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -96.54 -51.08 4.47 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 115.408 -0.814 . . . . 70.12 111.799 -175.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 61.73 103.45 0.03 OUTLIER 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 121.038 0.447 . . . . 63.54 111.9 -176.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -77.78 103.45 7.73 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-O 121.208 0.528 . . . . 74.31 111.764 178.036 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 -71.88 146.76 47.68 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 116.013 -0.54 . . . . 75.15 111.025 177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 17.5 m-70 -82.02 130.6 35.13 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.163 0.506 . . . . 74.2 111.996 -177.47 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 2.1 p-80 -144.21 136.34 26.39 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 116.104 -0.498 . . . . 74.33 110.876 176.467 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 52.7 m80 . . . . . 0 C--O 1.256 1.401 0 CA-C-O 118.788 -0.625 . . . . 55.11 111.636 -178.403 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 94.0 mmm . . . . . 0 N--CA 1.49 1.57 0 CA-C-O 120.99 0.424 . . . . 62.34 110.924 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -93.42 80.06 4.38 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.251 0.548 . . . . 72.4 110.878 -177.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 86.0 mt -81.08 12.5 3.35 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.418 0.525 . . . . 62.42 112.418 -175.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 85.1 m-20 -111.68 14.46 21.19 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 120.745 0.307 . . . . 73.22 111.798 179.556 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.459 ' HA ' ' HB2' ' A' ' 71' ' ' ASP . 93.1 mtt180 -125.32 8.17 7.82 Favored 'General case' 0 N--CA 1.473 0.683 0 CA-C-O 120.879 0.371 . . . . 72.14 111.514 179.615 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 13.0 ptm -136.8 21.33 3.07 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 113.354 0.872 . . . . 72.21 113.354 -167.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.422 ' O ' ' ND1' ' A' ' 69' ' ' HIS . . . -73.25 72.84 1.13 Allowed Glycine 0 CA--C 1.528 0.889 0 C-N-CA 119.651 -1.261 . . . . 61.32 112.626 -177.645 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.445 ' HA ' ' O ' ' A' ' 69' ' ' HIS . 21.3 pttp -69.72 144.61 52.75 Favored 'General case' 0 CA--C 1.539 0.532 0 N-CA-C 112.819 0.674 . . . . 73.03 112.819 -173.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -168.69 -179.58 3.85 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 115.623 -0.717 . . . . 64.42 110.48 -177.079 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -122.91 114.17 20.1 Favored 'General case' 0 CA--C 1.54 0.566 0 CA-C-O 121.007 0.432 . . . . 52.2 111.115 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.695 ' HE1' ' HB2' ' A' ' 69' ' ' HIS . 79.0 m-85 -92.2 136.14 33.43 Favored 'General case' 0 N--CA 1.472 0.672 0 O-C-N 122.219 -0.3 . . . . 74.43 110.944 178.173 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 m-85 -96.75 100.17 11.73 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-O 121.07 0.462 . . . . 71.12 110.709 175.56 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.6 m -120.88 148.14 24.29 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 N-CA-C 112.371 0.508 . . . . 73.32 112.371 -175.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.636 ' NE2' ' H ' ' A' ' 15' ' ' ILE . 0.0 OUTLIER -93.56 148.05 22.44 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 109.67 -0.493 . . . . 74.45 109.67 176.017 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.636 ' H ' ' NE2' ' A' ' 14' ' ' GLN . 23.7 mm -65.6 93.15 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.526 0 CA-C-O 121.117 0.484 . . . . 73.32 111.847 -177.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 73.7 p -80.23 -59.73 2.6 Favored 'General case' 0 N--CA 1.467 0.396 0 CA-C-N 116.257 -0.429 . . . . 75.02 111.558 177.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.1 m -119.46 125.44 74.4 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.572 0 CA-C-O 121.106 0.479 . . . . 62.15 111.892 -179.123 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -131.28 164.97 24.42 Favored 'General case' 0 CA--C 1.543 0.681 0 CA-C-O 121.143 0.497 . . . . 63.43 111.997 -179.02 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.89 9.18 65.61 Favored Glycine 0 CA--C 1.53 1.017 0 N-CA-C 114.794 0.678 . . . . 73.21 114.794 174.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -68.73 95.64 0.68 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-N 117.573 0.687 . . . . 70.41 111.519 -178.095 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.526 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 42.9 mt-10 -75.21 106.32 6.67 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-O 121.303 0.573 . . . . 73.43 112.144 -176.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.3 m -84.4 83.91 1.97 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 CA-C-O 121.826 0.822 . . . . 53.42 112.634 -177.033 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.733 ' HB3' ' HD3' ' A' ' 33' ' ' LYS . 7.6 p80 -89.65 5.88 43.8 Favored 'General case' 0 N--CA 1.472 0.638 0 CA-C-N 115.791 -0.641 . . . . 70.3 111.019 173.333 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -64.2 -18.74 64.8 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 115.721 -0.672 . . . . 71.4 111.581 174.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -102.68 27.21 7.14 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-O 121.013 0.435 . . . . 33.12 111.709 178.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -138.77 98.11 3.48 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.043 0.449 . . . . 71.45 110.265 177.672 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -89.28 123.29 33.35 Favored 'General case' 0 CA--C 1.538 0.491 0 N-CA-C 112.56 0.578 . . . . 73.22 112.56 -171.541 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.632 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.7 OUTLIER 63.87 10.83 5.51 Favored 'General case' 0 N--CA 1.476 0.855 0 N-CA-C 112.716 0.636 . . . . 63.21 112.716 171.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.97 39.2 0.46 Allowed Glycine 0 CA--C 1.523 0.588 0 C-N-CA 121.479 -0.391 . . . . 62.35 112.253 178.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -74.88 86.14 2.24 Favored 'General case' 0 CA--C 1.539 0.524 0 CA-C-O 121.552 0.692 . . . . 70.0 112.472 -175.621 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -107.22 -6.37 17.33 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 115.74 -0.664 . . . . 71.44 110.488 172.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 25.5 p90 -130.01 142.01 50.68 Favored 'General case' 0 CA--C 1.539 0.529 0 CA-C-N 115.254 -0.885 . . . . 65.0 110.926 -176.186 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.733 ' HD3' ' HB3' ' A' ' 23' ' ' HIS . 11.9 pttp -163.57 129.36 3.11 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-O 121.218 0.532 . . . . 74.14 112.244 -178.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.526 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 4.8 m-20 -86.16 175.32 8.58 Favored 'General case' 0 N--CA 1.472 0.662 0 CA-C-N 115.903 -0.589 . . . . 72.3 111.163 179.137 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -105.27 107.52 18.54 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.985 0.421 . . . . 55.41 111.642 -177.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -77.28 140.53 40.07 Favored 'General case' 0 N--CA 1.468 0.43 0 CA-C-O 121.179 0.514 . . . . 72.22 111.679 176.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 65.7 m-85 -121.9 96.67 5.15 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-N 116.079 -0.509 . . . . 71.41 110.678 175.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.445 ' HD2' ' HB3' ' A' ' 52' ' ' GLU . 56.2 tptt -80.53 90.72 5.71 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 116.21 -0.45 . . . . 65.54 110.679 178.614 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 23.0 mt -113.51 123.87 51.04 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 120.885 0.374 . . . . 71.44 111.735 -174.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.4 m -81.64 114.07 20.08 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.887 0.375 . . . . 73.51 111.23 175.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -98.64 142.37 16.05 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 121.178 -0.534 . . . . 72.33 113.167 -179.283 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 71.5 m-85 -105.96 106.46 16.98 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-O 121.066 0.46 . . . . 75.42 111.238 179.406 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.522 ' HB2' ' CE2' ' A' ' 11' ' ' TYR . 33.3 t70 -88.81 156.46 18.94 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 116.052 -0.522 . . . . 71.54 112.14 -177.723 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.0 tmtt? 70.85 -66.6 0.28 Allowed 'General case' 0 CA--C 1.542 0.656 0 CA-C-N 115.566 -0.743 . . . . 71.32 111.409 174.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 22.6 t70 -154.1 -44.44 0.09 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 120.767 0.318 . . . . 54.01 111.163 177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -159.94 23.02 0.28 Allowed Glycine 0 CA--C 1.533 1.18 0 C-N-CA 120.704 -0.76 . . . . 54.24 114.218 179.142 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.673 ' HA ' ' HE2' ' A' ' 47' ' ' LYS . 10.9 mmpt? -91.19 119.36 31.22 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-N 117.306 0.553 . . . . 74.02 110.351 178.185 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -96.78 132.68 42.25 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 113.118 0.785 . . . . 64.13 113.118 -169.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 41.2 mtpt -128.74 153.06 47.74 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 115.569 -0.741 . . . . 73.42 109.752 171.091 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.3 mp0 -87.67 112.62 22.54 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-O 120.874 0.369 . . . . 73.05 111.495 -177.725 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -110.23 109.15 19.51 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 116.47 -0.332 . . . . 71.35 110.932 176.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -120.74 133.56 55.33 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.081 0.467 . . . . 70.11 111.136 178.035 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.537 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 49.9 p90 -138.52 156.05 47.85 Favored 'General case' 0 N--CA 1.468 0.463 0 CA-C-O 120.907 0.385 . . . . 74.51 111.628 -179.752 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 51.8 p -100.03 117.33 34.08 Favored 'General case' 0 N--CA 1.471 0.58 0 CA-C-O 120.995 0.426 . . . . 74.22 111.001 176.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -102.26 150.93 22.8 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-O 121.283 0.563 . . . . 64.3 112.127 -179.124 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -66.81 -29.58 69.55 Favored 'General case' 0 CA--C 1.542 0.665 0 CA-C-N 115.516 -0.765 . . . . 73.31 112.247 178.478 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 14.0 ptmm? -143.5 165.38 27.71 Favored 'General case' 0 N--CA 1.469 0.478 0 CA-C-O 121.36 0.6 . . . . 73.12 112.391 -172.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 92.3 m-20 -71.29 147.36 48.21 Favored 'General case' 0 CA--C 1.538 0.494 0 CA-C-N 115.714 -0.676 . . . . 65.5 109.942 169.563 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.1 pp -121.59 -178.66 3.86 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 111.875 0.324 . . . . 61.42 111.875 -178.361 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 60' ' ' ARG . 5.7 mpt_? -70.13 105.84 3.06 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 121.284 0.564 . . . . 64.41 111.448 -177.689 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 26.0 mtpp -59.22 -23.51 62.36 Favored 'General case' 0 CA--C 1.541 0.618 0 CA-C-N 115.789 -0.641 . . . . 71.31 112.658 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.8 mm-40 -96.85 13.65 27.95 Favored 'General case' 0 CA--C 1.541 0.615 0 N-CA-C 112.229 0.455 . . . . 72.33 112.229 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -107.22 171.25 7.48 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.137 0.494 . . . . 72.14 112.14 -178.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.498 ' CE1' ' HB3' ' A' ' 83' ' ' LYS . 24.9 m-85 -111.57 133.64 53.7 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.166 -0.47 . . . . 71.34 111.021 176.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.8 mt -99.67 125.16 45.48 Favored 'General case' 0 C--N 1.327 -0.403 0 N-CA-C 112.253 0.464 . . . . 74.32 112.253 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.527 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 14.2 mtp180 -89.54 92.69 9.2 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 115.805 -0.634 . . . . 75.1 109.996 170.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.548 HG22 ' HB2' ' A' ' 11' ' ' TYR . 31.1 m -90.85 145.65 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.584 0 CA-C-O 121.776 0.798 . . . . 70.2 112.804 -175.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 88.4 t80 -88.59 116.89 27.16 Favored 'General case' 0 CA--C 1.539 0.533 0 CA-C-N 114.669 -1.15 . . . . 65.31 111.747 -174.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.695 ' HB2' ' HE1' ' A' ' 11' ' ' TYR . 20.2 t-160 -74.34 129.44 37.8 Favored 'General case' 0 CA--C 1.537 0.449 0 CA-C-O 121.397 0.618 . . . . 74.42 112.565 -176.613 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.447 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 67.7 m -147.42 109.03 4.35 Favored 'General case' 0 N--CA 1.47 0.535 0 N-CA-C 109.16 -0.682 . . . . 60.02 109.16 168.425 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.459 ' HB2' ' HA ' ' A' ' 5' ' ' ARG . 16.4 m-20 -56.11 -25.71 46.98 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.558 0.948 . . . . 63.1 113.558 -170.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.11 19.15 19.26 Favored 'General case' 0 N--CA 1.477 0.889 0 O-C-N 121.748 -0.595 . . . . 74.33 112.578 178.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.447 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.1 OUTLIER -143.67 -15.09 0.64 Allowed 'General case' 0 N--CA 1.479 1.02 0 N-CA-C 112.087 0.403 . . . . 64.15 112.087 179.127 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 73.78 -83.63 0.69 Allowed Glycine 0 CA--C 1.527 0.839 0 C-N-CA 121.2 -0.524 . . . . 64.02 112.58 -174.603 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.537 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 95.6 t -136.54 113.65 13.52 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.551 0 CA-C-O 120.742 0.306 . . . . 70.25 111.341 -179.776 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.6 t -93.73 -14.38 26.36 Favored 'General case' 0 N--CA 1.474 0.769 0 CA-C-O 120.638 0.256 . . . . 65.31 111.507 177.502 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -163.29 155.44 17.93 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-N 116.627 -0.26 . . . . 60.4 111.026 -179.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 40.8 p-90 -151.27 142.52 23.28 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.145 0.498 . . . . 74.43 111.997 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.527 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 33.3 mt-10 -110.78 143.7 40.9 Favored 'General case' 0 N--CA 1.469 0.524 0 CA-C-N 116.076 -0.511 . . . . 55.12 110.701 178.142 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -103.22 105.0 15.2 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 120.847 0.356 . . . . 71.43 110.953 -179.003 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.434 ' HB ' ' OE2' ' A' ' 85' ' ' GLU . 34.4 m -120.36 -179.81 1.88 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 N-CA-C 112.273 0.472 . . . . 63.22 112.273 -175.819 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.8 168.98 9.31 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-O 121.063 0.459 . . . . 75.03 111.505 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.542 ' HA ' HD13 ' A' ' 86' ' ' LEU . 0.0 OUTLIER -75.4 -19.8 59.31 Favored 'General case' 0 CA--C 1.541 0.611 0 N-CA-C 112.636 0.606 . . . . 62.25 112.636 178.343 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -72.16 -10.39 59.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.991 -0.443 . . . . 64.45 112.086 179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.434 ' OE2' ' HB ' ' A' ' 81' ' ' VAL . 45.0 mt-10 -87.76 -1.87 58.24 Favored 'General case' 0 N--CA 1.47 0.545 0 N-CA-C 111.823 0.305 . . . . 73.22 111.823 178.165 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.542 HD13 ' HA ' ' A' ' 83' ' ' LYS . 7.1 mp -92.98 131.32 33.58 Favored Pre-proline 0 CA--C 1.539 0.541 0 CA-C-N 116.736 -0.211 . . . . 73.53 110.69 176.067 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -55.13 145.37 65.13 Favored 'Trans proline' 0 CA--C 1.54 0.81 0 C-N-CA 122.598 2.199 . . . . 64.45 112.795 178.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.96 -39.0 71.13 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 112.146 0.424 . . . . 73.2 112.146 -176.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.549 ' HA ' ' HB2' ' A' ' 92' ' ' GLU . 46.6 mtpt -57.38 -21.78 38.34 Favored 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 112.5 0.556 . . . . 72.12 112.5 -178.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 89.1 t -63.46 -51.92 64.51 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.515 0 CA-C-O 121.019 0.438 . . . . 74.14 110.655 176.112 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -69.32 -33.68 73.51 Favored 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.225 0.536 . . . . 64.11 110.566 176.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.549 ' HB2' ' HA ' ' A' ' 89' ' ' LYS . 41.5 mm-40 -63.59 -15.31 57.78 Favored 'General case' 0 CA--C 1.538 0.512 0 N-CA-C 112.528 0.566 . . . . 71.31 112.528 178.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 65.3 pttt -112.11 -10.02 13.92 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 122.228 -0.295 . . . . 61.51 111.782 172.053 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 58.2 tp -137.92 105.06 5.44 Favored 'General case' 0 N--CA 1.474 0.76 0 CA-C-O 121.01 0.433 . . . . 63.11 111.68 -178.503 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 85.6 44.49 6.11 Favored Glycine 0 CA--C 1.525 0.707 0 C-N-CA 121.35 -0.453 . . . . 71.12 112.53 -176.74 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 9.2 t -76.25 130.64 36.03 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.469 0 CA-C-O 121.079 0.466 . . . . 40.44 112.019 -175.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.692 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 5.1 mmpt? -149.37 110.15 4.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-N 116.009 -0.542 . . . . 63.34 111.161 178.673 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.1 tt -168.23 84.84 0.19 Allowed 'General case' 0 CA--C 1.54 0.586 0 CA-C-O 121.248 0.547 . . . . 75.21 110.756 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -131.56 -47.01 0.97 Allowed 'General case' 0 N--CA 1.47 0.537 0 CA-C-N 115.897 -0.592 . . . . 73.45 109.733 173.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 61.74 -161.83 0.29 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-N 115.519 -0.764 . . . . 64.44 111.941 178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -68.96 -20.05 64.18 Favored 'General case' 0 N--CA 1.47 0.556 0 CA-C-O 120.778 0.323 . . . . 73.33 111.347 179.323 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 20.6 t-80 70.15 -8.07 0.89 Allowed 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 123.501 0.72 . . . . 74.25 112.797 174.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 79.1 m80 -98.72 131.43 44.88 Favored 'General case' 0 N--CA 1.468 0.43 0 O-C-N 122.11 -0.369 . . . . 72.02 110.881 178.264 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.2 p80 -169.0 156.18 7.14 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.468 -0.333 . . . . 74.5 111.604 -175.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 68.0 m80 . . . . . 0 C--O 1.251 1.167 0 CA-C-O 119.3 -0.381 . . . . 73.21 110.763 170.929 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.0 ttt . . . . . 0 N--CA 1.49 1.541 0 CA-C-O 120.926 0.393 . . . . 64.33 110.584 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -89.64 106.02 18.18 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-O 120.922 0.391 . . . . 71.33 111.368 -175.642 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.418 ' HA ' ' HB2' ' A' ' 6' ' ' MET . 98.8 mt -79.44 -13.39 59.62 Favored 'General case' 0 N--CA 1.469 0.514 0 N-CA-C 111.9 0.333 . . . . 72.31 111.9 -179.067 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.7 m120 -49.19 -47.96 45.59 Favored 'General case' 0 N--CA 1.473 0.715 0 N-CA-C 112.695 0.628 . . . . 45.54 112.695 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.449 ' HD3' ' H ' ' A' ' 5' ' ' ARG . 0.0 OUTLIER -105.49 12.87 30.91 Favored 'General case' 0 N--CA 1.474 0.746 0 N-CA-C 112.243 0.46 . . . . 74.24 112.243 -179.874 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.418 ' HB2' ' HA ' ' A' ' 3' ' ' LEU . 23.7 mmt -95.84 157.19 16.01 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-O 120.734 0.302 . . . . 72.13 111.234 177.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.03 -105.3 0.19 Allowed Glycine 0 CA--C 1.526 0.768 0 C-N-CA 120.989 -0.624 . . . . 63.04 113.104 -179.089 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -144.4 125.88 14.92 Favored 'General case' 0 N--CA 1.469 0.522 0 CA-C-O 120.839 0.352 . . . . 73.41 111.125 -179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.469 ' H ' ' HB3' ' A' ' 69' ' ' HIS . 10.8 m-20 -119.28 156.75 29.39 Favored 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 121.011 0.434 . . . . 65.1 112.015 -176.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.438 ' O ' ' HG3' ' A' ' 10' ' ' GLU . 6.7 pt-20 -106.5 102.14 11.55 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-O 121.183 0.516 . . . . 74.03 110.252 172.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.521 ' HB3' ' HA3' ' A' ' 41' ' ' GLY . 51.9 m-85 -93.46 123.1 36.54 Favored 'General case' 0 N--CA 1.468 0.426 0 O-C-N 121.976 -0.453 . . . . 73.54 111.878 -178.608 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 83.0 m-85 -76.63 103.63 6.71 Favored 'General case' 0 CA--C 1.537 0.448 0 CA-C-N 116.067 -0.515 . . . . 71.52 110.437 174.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 23.4 m -102.37 165.71 2.83 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.463 0 CA-C-O 121.244 0.545 . . . . 44.42 112.363 -176.399 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.7 tm0? -125.55 140.29 52.87 Favored 'General case' 0 CA--C 1.539 0.55 0 CA-C-N 115.756 -0.656 . . . . 64.03 109.705 176.664 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.431 HD11 HD11 ' A' ' 65' ' ' LEU . 46.8 mm -67.16 100.45 0.43 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.106 0.479 . . . . 65.43 112.093 -177.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.5 p -84.72 -67.7 0.78 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 121.112 0.482 . . . . 60.3 110.892 175.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.0 m -114.28 131.13 67.19 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-N 116.186 -0.461 . . . . 74.34 111.373 177.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -131.03 159.74 36.63 Favored 'General case' 0 CA--C 1.544 0.722 0 N-CA-C 112.869 0.692 . . . . 72.34 112.869 -174.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.96 9.02 70.33 Favored Glycine 0 CA--C 1.533 1.172 0 N-CA-C 115.778 1.071 . . . . 74.33 115.778 171.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -71.15 100.32 2.04 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 118.372 1.086 . . . . 50.04 111.191 179.708 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -83.0 124.07 30.06 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.154 -0.475 . . . . 65.22 111.469 179.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.453 HG23 ' O ' ' A' ' 22' ' ' VAL . 28.4 m -78.11 81.42 0.87 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 CA-C-O 121.973 0.892 . . . . 75.14 111.267 176.246 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 46.1 m-70 -73.91 51.45 0.39 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 115.809 -0.632 . . . . 52.51 111.457 176.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.8 t -59.42 -29.43 67.75 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 111.889 0.329 . . . . 53.33 111.889 -178.096 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.409 ' HB3' ' NZ ' ' A' ' 25' ' ' LYS . 5.3 ttpm? 67.54 92.09 0.08 Allowed 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.336 0.589 . . . . 74.25 111.812 176.797 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -85.73 81.91 8.42 Favored 'General case' 0 C--O 1.237 0.426 0 CA-C-N 115.976 -0.556 . . . . 44.22 110.685 175.301 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -56.55 98.26 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.349 0 CA-C-O 121.478 0.656 . . . . 74.5 111.017 178.286 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 175.25 -27.06 0.0 OUTLIER 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 115.213 -0.903 . . . . 74.42 109.895 -173.377 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 147.28 -33.97 1.31 Allowed Glycine 0 CA--C 1.521 0.446 0 CA-C-N 115.497 -0.774 . . . . 62.55 112.096 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -81.16 95.28 6.85 Favored 'General case' 0 CA--C 1.537 0.469 0 CA-C-O 121.678 0.752 . . . . 64.44 112.232 -177.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 62.2 mttp -96.18 83.37 3.59 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.71 -0.677 . . . . 53.2 110.175 174.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 46.5 p90 -102.86 147.49 26.82 Favored 'General case' 0 CA--C 1.542 0.641 0 CA-C-N 115.573 -0.74 . . . . 70.12 112.25 -172.565 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.76 106.08 9.12 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.278 -0.419 . . . . 72.12 110.914 173.863 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.402 ' HB2' HG22 ' A' ' 22' ' ' VAL . 47.3 m-20 -98.75 132.07 44.41 Favored 'General case' 0 N--CA 1.467 0.383 0 CA-C-O 120.795 0.331 . . . . 75.41 110.747 174.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 75.0 m-85 -88.2 108.28 19.21 Favored 'General case' 0 CA--C 1.536 0.436 0 CA-C-N 116.354 -0.384 . . . . 73.52 110.787 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -96.8 125.14 41.04 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-O 120.954 0.407 . . . . 55.15 111.83 -175.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.526 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 30.5 m-85 -119.62 117.01 27.18 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 116.138 -0.483 . . . . 70.33 110.693 178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 29.3 ttpp -113.01 118.89 36.07 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.065 0.459 . . . . 75.12 110.977 175.702 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -143.81 171.34 14.35 Favored 'General case' 0 CA--C 1.539 0.557 0 CA-C-N 115.879 -0.6 . . . . 73.53 111.76 -173.66 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 88.8 m -107.53 129.84 54.93 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.286 0.476 . . . . 72.13 112.286 -175.049 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.521 ' HA3' ' HB3' ' A' ' 11' ' ' TYR . . . -116.5 140.74 16.26 Favored Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.155 -0.475 . . . . 75.35 112.809 177.429 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -129.59 140.46 51.19 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 120.835 0.35 . . . . 74.32 111.609 -179.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 28.9 t70 -152.01 165.33 34.99 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 116.214 -0.448 . . . . 75.24 111.614 -177.332 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.2 tttt 52.6 -86.29 0.01 OUTLIER 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.792 0.837 . . . . 62.32 112.899 178.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.538 ' HB2' ' HG3' ' A' ' 47' ' ' LYS . 23.1 m-20 -85.16 -5.12 59.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 120.945 0.402 . . . . 61.44 111.75 -177.37 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . 0.517 ' HA3' HG22 ' A' ' 96' ' ' VAL . . . 81.13 19.01 68.0 Favored Glycine 0 CA--C 1.526 0.744 0 C-N-CA 121.182 -0.532 . . . . 53.11 112.717 -176.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.538 ' HG3' ' HB2' ' A' ' 45' ' ' ASP . 66.9 mttm -71.9 146.05 48.11 Favored 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.646 0.26 . . . . 75.51 111.056 179.336 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -96.01 106.41 18.57 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 121.256 0.55 . . . . 74.44 112.196 -173.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.8 tptp -99.84 136.45 39.74 Favored 'General case' 0 CA--C 1.535 0.393 0 CA-C-N 115.943 -0.571 . . . . 44.32 110.179 174.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -93.05 131.58 37.93 Favored 'General case' 0 N--CA 1.47 0.549 0 CA-C-O 120.994 0.426 . . . . 75.15 111.086 175.758 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mp -134.9 150.44 50.42 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.995 0.426 . . . . 71.12 111.095 -179.025 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -138.28 134.62 34.58 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.811 0.339 . . . . 62.42 111.159 177.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 54.4 p90 -138.86 142.88 38.59 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 120.995 0.426 . . . . 75.44 111.57 179.092 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 40.5 p -99.55 109.42 21.94 Favored 'General case' 0 N--CA 1.471 0.599 0 CA-C-O 121.067 0.461 . . . . 74.4 110.913 176.311 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -97.61 150.34 21.25 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 121.332 0.587 . . . . 33.41 112.076 -176.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -74.36 -18.83 60.62 Favored 'General case' 0 CA--C 1.544 0.733 0 CA-C-N 115.56 -0.745 . . . . 72.52 111.79 179.122 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 mtpp -129.47 160.52 32.9 Favored 'General case' 0 N--CA 1.471 0.593 0 CA-C-O 120.933 0.397 . . . . 75.13 111.698 -174.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.526 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 8.4 m120 -83.52 101.67 11.59 Favored 'General case' 0 CA--C 1.534 0.345 0 CA-C-O 120.948 0.404 . . . . 73.22 110.839 171.109 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.515 HD22 HD21 ' A' ' 65' ' ' LEU . 1.8 pp -71.07 -175.02 1.06 Allowed 'General case' 0 CA--C 1.542 0.663 0 CA-C-N 116.168 -0.469 . . . . 64.13 111.954 179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 85.6 mtt180 -101.38 144.05 30.67 Favored 'General case' 0 N--CA 1.468 0.44 0 N-CA-C 112.92 0.711 . . . . 63.22 112.92 -176.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.423 ' O ' ' HB2' ' A' ' 62' ' ' GLU . 23.1 pttm -90.77 179.39 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 N-CA-C 109.359 -0.608 . . . . 75.25 109.359 165.648 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.423 ' HB2' ' O ' ' A' ' 61' ' ' LYS . 68.9 mm-40 65.96 18.29 11.02 Favored 'General case' 0 N--CA 1.48 1.062 0 CA-C-O 121.45 0.643 . . . . 75.03 110.45 -170.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -135.22 172.69 12.65 Favored 'General case' 0 CA--C 1.534 0.355 0 CA-C-N 115.808 -0.633 . . . . 75.51 111.612 -177.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -125.72 151.75 46.24 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-N 115.93 -0.577 . . . . 64.43 110.119 179.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.515 HD21 HD22 ' A' ' 59' ' ' LEU . 4.2 mp -127.86 144.09 51.1 Favored 'General case' 0 N--CA 1.469 0.515 0 O-C-N 121.871 -0.518 . . . . 63.21 112.239 178.597 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 58.5 mtt180 -86.27 97.55 10.45 Favored 'General case' 0 N--CA 1.464 0.253 0 CA-C-N 115.932 -0.576 . . . . 71.54 109.785 168.415 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 95.6 t -88.08 130.87 36.99 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.521 0.677 . . . . 61.44 111.243 179.352 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.426 ' CD1' ' HB3' ' A' ' 76' ' ' SER . 31.6 t80 -81.3 106.7 13.48 Favored 'General case' 0 CA--C 1.538 0.504 0 CA-C-N 114.894 -1.048 . . . . 74.41 111.786 -173.83 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.469 ' HB3' ' H ' ' A' ' 9' ' ' ASP . 11.5 t-160 -74.23 105.07 5.25 Favored 'General case' 0 CA--C 1.535 0.374 0 CA-C-N 116.417 -0.356 . . . . 75.53 111.241 178.546 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 64.8 p -132.79 100.78 5.03 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 116.234 -0.439 . . . . 63.1 110.799 177.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -65.31 0.31 1.49 Allowed 'General case' 0 N--CA 1.475 0.788 0 N-CA-C 112.902 0.704 . . . . 74.11 112.902 -174.404 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.1 mmtp -78.94 -29.39 44.04 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 120.867 0.365 . . . . 72.35 110.574 171.677 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -139.29 10.4 2.54 Favored 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 122.788 0.435 . . . . 73.02 111.762 -178.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.24 -66.02 1.93 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 120.913 -0.661 . . . . 70.03 112.074 -171.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 84.7 t -129.77 128.46 65.41 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.459 0 C-N-CA 123.006 0.522 . . . . 74.03 110.868 176.77 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.426 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 37.7 t -99.38 -33.88 10.52 Favored 'General case' 0 N--CA 1.472 0.661 0 N-CA-C 112.023 0.379 . . . . 74.3 112.023 178.71 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -160.28 175.4 12.9 Favored 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 112.39 0.515 . . . . 73.34 112.39 -177.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 46.5 p-90 -155.16 140.39 17.58 Favored 'General case' 0 CA--C 1.544 0.739 0 CA-C-N 115.735 -0.666 . . . . 72.42 111.446 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -119.59 134.09 55.37 Favored 'General case' 0 N--CA 1.476 0.873 0 CA-C-O 120.589 0.233 . . . . 74.23 111.322 175.366 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 37.0 tt0 -90.21 109.64 20.71 Favored 'General case' 0 CA--C 1.544 0.73 0 CA-C-O 120.818 0.342 . . . . 60.51 111.187 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 32.0 m -109.56 172.59 2.28 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.645 0 CA-C-O 120.895 0.379 . . . . 63.13 111.104 178.378 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.511 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 0.0 OUTLIER -118.51 145.66 45.13 Favored 'General case' 0 N--CA 1.471 0.613 0 CA-C-O 121.421 0.629 . . . . 75.24 112.232 -177.107 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -62.38 -4.9 2.07 Favored 'General case' 0 N--CA 1.476 0.839 0 N-CA-C 113.444 0.905 . . . . 64.4 113.444 -177.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -75.01 -22.61 58.4 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.026 0.38 . . . . 73.3 112.026 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.511 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.7 pt-20 -98.57 1.16 46.19 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 120.989 0.423 . . . . 74.3 111.891 -178.654 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 87.5 mt -89.39 122.56 68.34 Favored Pre-proline 0 CA--C 1.536 0.438 0 CA-C-N 116.495 -0.321 . . . . 75.12 111.241 -179.478 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.4 Cg_exo -64.24 137.06 54.45 Favored 'Trans proline' 0 CA--C 1.537 0.625 0 C-N-CA 122.772 2.314 . . . . 74.2 112.767 178.649 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -53.61 -39.13 64.66 Favored 'General case' 0 N--CA 1.469 0.519 0 N-CA-C 112.007 0.373 . . . . 73.31 112.007 -179.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.453 ' HB3' ' HE3' ' A' ' 97' ' ' LYS . 24.7 mmtm -60.33 -37.45 80.67 Favored 'General case' 0 CA--C 1.542 0.641 0 N-CA-C 112.393 0.516 . . . . 72.21 112.393 178.255 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.8 t -71.09 -37.58 67.74 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 CA-C-O 121.646 0.736 . . . . 74.24 110.525 176.663 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -76.33 -20.38 57.31 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.617 -0.72 . . . . 75.32 110.888 177.462 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.2 tt0 -64.8 -52.09 58.7 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 115.818 -0.628 . . . . 60.34 111.88 -178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.411 ' HB2' ' O ' ' A' ' 96' ' ' VAL . 1.2 mptp? -86.06 1.53 49.99 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-O 120.804 0.335 . . . . 72.14 110.871 178.447 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.9 tt 64.45 79.3 0.26 Allowed 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.586 0.754 . . . . 73.45 111.133 -178.369 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 80.67 -39.7 2.39 Favored Glycine 0 CA--C 1.531 1.032 0 CA-C-N 116.213 -0.449 . . . . 71.24 114.07 174.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.517 HG22 ' HA3' ' A' ' 46' ' ' GLY . 3.4 t -80.27 117.88 26.92 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.375 0 O-C-N 122.578 -0.366 . . . . 42.23 111.733 -177.498 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.453 ' HE3' ' HB3' ' A' ' 89' ' ' LYS . 63.8 tttm 173.19 149.85 0.07 Allowed 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 115.756 -0.656 . . . . 61.53 111.706 176.531 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 73.3 mt -85.02 120.84 26.98 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.031 -0.531 . . . . 70.1 110.226 172.781 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.453 ' OE2' ' HA ' ' A' ' 101' ' ' HIS . 36.1 tt0 -97.74 -34.46 10.9 Favored 'General case' 0 N--CA 1.469 0.488 0 O-C-N 122.124 -0.36 . . . . 70.34 111.529 179.131 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 12.3 m170 61.25 18.72 9.44 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-O 121.009 0.433 . . . . 63.11 110.739 -173.033 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.453 ' HA ' ' OE2' ' A' ' 99' ' ' GLU . 0.3 OUTLIER 54.87 83.99 0.08 Allowed 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.568 -0.742 . . . . 71.0 110.373 -171.759 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -68.06 113.53 5.81 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-N 115.038 -0.983 . . . . 73.53 112.846 -169.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 75.9 m80 -120.01 104.21 9.96 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 116.094 -0.503 . . . . 62.44 111.154 176.131 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 55.7 t-80 -93.69 -37.49 11.8 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.532 0.682 . . . . 74.41 109.599 173.37 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 38.5 t-80 . . . . . 0 C--O 1.252 1.21 0 CA-C-N 115.285 -0.87 . . . . 70.43 110.761 173.842 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.935 0.398 . . . . 64.4 110.965 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -64.96 119.98 11.75 Favored 'General case' 0 CA--C 1.542 0.652 0 CA-C-O 120.959 0.409 . . . . 70.43 111.43 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 90.1 mt -100.63 16.13 25.86 Favored 'General case' 0 N--CA 1.471 0.603 0 CA-C-O 121.067 0.46 . . . . 60.3 111.469 179.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 15.4 m120 -70.36 -17.34 63.05 Favored 'General case' 0 CA--C 1.541 0.622 0 N-CA-C 112.849 0.685 . . . . 53.42 112.849 -176.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 5' ' ' ARG . 46.6 mtt180 -92.45 -10.53 37.58 Favored 'General case' 0 N--CA 1.471 0.603 0 O-C-N 122.089 -0.382 . . . . 75.24 111.366 179.344 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 96.6 mmm -59.73 129.25 40.98 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-N 116.454 -0.339 . . . . 71.54 111.423 177.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 99.29 -7.58 60.13 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 121.389 -0.434 . . . . 72.42 113.494 178.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 13.5 mptt -109.94 116.62 31.95 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.94 0.4 . . . . 61.32 111.272 178.461 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -128.67 174.98 8.94 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 116.094 -0.503 . . . . 54.0 110.421 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -106.0 136.55 45.46 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.549 0.69 . . . . 73.41 111.707 178.218 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -100.41 124.44 45.92 Favored 'General case' 0 N--CA 1.468 0.464 0 CA-C-N 115.99 -0.55 . . . . 71.53 110.658 175.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -75.88 107.61 8.18 Favored 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 120.939 0.4 . . . . 72.42 111.199 177.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.485 HG12 ' HA2' ' A' ' 41' ' ' GLY . 16.1 m -113.35 140.5 33.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.491 0 CA-C-N 116.12 -0.491 . . . . 71.13 111.112 179.401 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -106.32 138.45 42.47 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.971 0.415 . . . . 62.42 111.239 177.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 37.4 mm -67.39 102.95 0.58 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.567 0 N-CA-C 112.769 0.655 . . . . 62.45 112.769 -174.417 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.5 p -94.09 -67.93 0.83 Allowed 'General case' 0 CA--C 1.54 0.566 0 CA-C-N 115.835 -0.62 . . . . 73.14 112.26 179.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 30.7 m -90.19 140.5 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.73 0 N-CA-C 112.347 0.499 . . . . 74.53 112.347 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.8 p-10 -131.7 155.02 48.38 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-O 120.961 0.41 . . . . 74.54 111.721 179.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.2 8.28 65.05 Favored Glycine 0 CA--C 1.532 1.127 0 N-CA-C 114.905 0.722 . . . . 64.11 114.905 174.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 27.6 tptp -75.12 89.77 2.49 Favored 'General case' 0 CA--C 1.541 0.599 0 CA-C-N 117.554 0.677 . . . . 73.32 110.343 179.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -98.91 123.69 43.34 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 112.629 0.603 . . . . 54.14 112.629 -172.106 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 16.0 m -89.13 84.0 2.28 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.549 0 CA-C-O 121.695 0.759 . . . . 65.45 112.205 -177.566 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.567 ' HA ' ' O ' ' A' ' 32' ' ' TYR . 14.1 t-80 -94.95 -0.07 54.24 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 116.07 -0.514 . . . . 72.44 111.802 178.248 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 28.9 t -69.83 -13.58 62.33 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.272 -0.422 . . . . 75.31 112.07 179.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 96.7 mttt -110.33 55.12 0.65 Allowed 'General case' 0 CA--C 1.538 0.499 0 CA-C-O 121.148 0.499 . . . . 72.11 111.282 -179.598 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' HB2' ' HB2' ' A' ' 32' ' ' TYR . . . -126.66 -72.56 0.64 Allowed 'General case' 0 CA--C 1.538 0.487 0 CA-C-N 116.17 -0.468 . . . . 62.33 112.037 179.759 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.438 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 26.8 t70 62.87 168.76 0.13 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 122.794 0.438 . . . . 71.51 111.162 -175.468 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.472 HD22 ' N ' ' A' ' 28' ' ' ASN . 0.8 OUTLIER 70.81 -34.1 0.29 Allowed 'General case' 0 N--CA 1.48 1.068 0 C-N-CA 122.797 0.439 . . . . 71.34 112.122 -177.13 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.413 ' H ' ' C ' ' A' ' 27' ' ' ASP . . . 120.03 0.15 13.17 Favored Glycine 0 CA--C 1.524 0.621 0 N-CA-C 111.441 -0.663 . . . . 72.2 111.441 -170.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 6.3 tp-100 -60.34 149.28 34.18 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 122.673 0.389 . . . . 75.33 111.241 179.521 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.9 mtpt -93.05 45.23 1.17 Allowed 'General case' 0 N--CA 1.468 0.465 0 N-CA-C 112.806 0.669 . . . . 65.33 112.806 -176.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.567 ' O ' ' HA ' ' A' ' 23' ' ' HIS . 20.2 m-85 -72.52 97.72 2.16 Favored 'General case' 0 N--CA 1.466 0.332 0 CA-C-O 120.929 0.395 . . . . 74.2 110.001 169.821 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' HG3' ' HB2' ' A' ' 23' ' ' HIS . 48.4 tttm -149.68 69.93 1.05 Allowed 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 121.304 0.573 . . . . 70.22 110.457 -174.302 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -86.49 153.42 21.87 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 115.702 -0.681 . . . . 63.34 112.04 -174.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -76.89 124.79 28.25 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-N 116.09 -0.505 . . . . 73.1 111.487 176.484 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -109.24 119.95 41.05 Favored 'General case' 0 CA--C 1.537 0.46 0 CA-C-N 115.775 -0.648 . . . . 71.42 111.279 -175.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 40.3 m-85 -117.1 119.75 36.21 Favored 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.32 -0.4 . . . . 72.24 111.574 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.4 ttpp -115.18 118.44 33.34 Favored 'General case' 0 N--CA 1.467 0.417 0 CA-C-N 116.343 -0.39 . . . . 60.12 110.455 174.553 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.482 ' H ' HD22 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -147.8 154.33 40.34 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-O 121.366 0.603 . . . . 74.24 112.061 -179.249 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 96.2 m -83.61 113.02 20.54 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.126 -0.488 . . . . 64.05 111.346 178.512 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.485 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -89.82 141.94 16.32 Favored Glycine 0 CA--C 1.52 0.4 0 C-N-CA 121.139 -0.553 . . . . 50.43 112.956 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.48 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 97.4 m-85 -106.23 127.73 53.44 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-O 121.134 0.492 . . . . 61.43 111.674 179.594 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -69.95 161.87 29.15 Favored 'General case' 0 CA--C 1.543 0.702 0 CA-C-N 115.705 -0.68 . . . . 63.33 111.904 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.492 ' HE2' ' N ' ' A' ' 45' ' ' ASP . 0.0 OUTLIER -65.02 -9.57 22.92 Favored 'General case' 0 CA--C 1.545 0.761 0 N-CA-C 113.667 0.988 . . . . 55.05 113.667 -177.51 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.492 ' N ' ' HE2' ' A' ' 44' ' ' LYS . 30.2 t70 -96.79 -10.3 26.97 Favored 'General case' 0 N--CA 1.474 0.736 0 CA-C-O 121.19 0.519 . . . . 63.24 110.841 172.72 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 94.53 49.4 2.36 Favored Glycine 0 CA--C 1.525 0.712 0 CA-C-N 116.243 -0.435 . . . . 60.44 113.092 -179.209 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.48 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 62.6 mttp -119.8 153.86 35.11 Favored 'General case' 0 N--CA 1.472 0.667 0 O-C-N 122.643 -0.328 . . . . 73.45 110.845 177.127 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -97.38 154.79 17.23 Favored 'General case' 0 N--CA 1.473 0.713 0 N-CA-C 112.471 0.545 . . . . 74.51 112.471 -175.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 34.4 ttmt -170.06 143.56 2.52 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 115.966 -0.561 . . . . 75.53 111.031 172.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -83.8 115.9 22.46 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-O 120.749 0.309 . . . . 53.44 111.695 -177.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 10.0 mp -111.44 153.69 25.76 Favored 'General case' 0 N--CA 1.473 0.675 0 CA-C-O 121.254 0.55 . . . . 72.13 111.858 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -141.61 144.34 34.14 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-N 116.015 -0.539 . . . . 73.14 110.446 177.623 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.407 ' HE2' HD21 ' A' ' 39' ' ' LEU . 41.8 p90 -165.17 165.03 20.07 Favored 'General case' 0 N--CA 1.47 0.564 0 CA-C-O 121.27 0.557 . . . . 74.41 112.078 177.075 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 53.6 p -104.11 129.99 51.81 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 115.888 -0.597 . . . . 65.21 111.166 177.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -100.64 142.77 31.65 Favored 'General case' 0 CA--C 1.539 0.532 0 CA-C-O 121.277 0.56 . . . . 70.41 112.163 -177.056 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 7.2 tp60 -83.51 -8.18 59.39 Favored 'General case' 0 CA--C 1.545 0.751 0 CA-C-O 121.451 0.643 . . . . 71.12 110.884 176.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.8 ptmt -141.44 163.76 32.06 Favored 'General case' 0 N--CA 1.471 0.577 0 CA-C-N 115.898 -0.592 . . . . 60.24 110.605 179.364 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 33.6 t-20 -79.21 105.67 10.7 Favored 'General case' 0 CA--C 1.539 0.553 0 N-CA-C 108.883 -0.784 . . . . 62.35 108.883 170.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.691 HD13 HD11 ' A' ' 65' ' ' LEU . 46.1 mt -65.47 152.96 42.71 Favored 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 113.064 0.765 . . . . 52.12 113.064 -169.536 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 96.7 mtt180 -65.66 111.44 3.18 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-N 115.976 -0.556 . . . . 64.31 111.624 -179.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -56.89 139.26 52.13 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-O 121.051 0.453 . . . . 74.21 112.172 179.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 64.75 18.02 11.24 Favored 'General case' 0 CA--C 1.547 0.834 0 CA-C-N 115.753 -0.658 . . . . 75.42 111.66 -178.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.73 162.68 12.88 Favored 'General case' 0 N--CA 1.469 0.487 0 O-C-N 122.037 -0.414 . . . . 75.01 110.64 173.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.479 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 55.1 m-85 -110.59 130.1 55.65 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.451 0.643 . . . . 73.03 112.176 -176.342 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.691 HD11 HD13 ' A' ' 59' ' ' LEU . 95.7 mt -100.19 127.59 46.43 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.93 -0.577 . . . . 75.42 110.967 174.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 20.6 mtp180 -81.96 87.34 6.43 Favored 'General case' 0 C--N 1.328 -0.357 0 N-CA-C 109.356 -0.609 . . . . 71.11 109.356 170.193 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 57.5 t -87.29 128.71 39.66 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.357 0 CA-C-O 121.362 0.601 . . . . 64.41 112.016 -175.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -69.19 95.87 0.79 Allowed 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 115.341 -0.845 . . . . 73.45 110.392 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.478 ' HA ' ' O ' ' A' ' 73' ' ' LYS . 53.4 t-80 -94.14 106.43 18.41 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.627 0.603 . . . . 63.01 112.627 -173.4 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 72' ' ' LYS . 46.9 m -97.05 92.04 5.87 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 116.275 -0.42 . . . . 73.02 111.392 177.519 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 69.3 m-20 54.46 -80.24 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.078 0 C-N-CA 123.244 0.617 . . . . 64.45 112.592 177.77 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.841 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 18.1 ptpt -66.93 -67.5 0.45 Allowed 'General case' 0 CA--C 1.545 0.782 0 CA-C-O 121.114 0.483 . . . . 64.02 110.77 175.582 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.841 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 53.2 mtmt -155.44 -64.29 0.12 Allowed 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 123.558 0.743 . . . . 71.54 109.382 -175.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 74.51 -80.94 0.86 Allowed Glycine 0 CA--C 1.525 0.689 0 CA-C-N 116.09 -0.505 . . . . 75.01 113.08 177.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.419 HG12 ' O ' ' A' ' 75' ' ' VAL . 16.1 t 59.48 43.71 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.607 0 CA-C-O 121.73 0.776 . . . . 55.13 111.572 178.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 35.6 t -53.37 -43.22 67.62 Favored 'General case' 0 N--CA 1.472 0.668 0 CA-C-O 121.335 0.588 . . . . 70.24 110.933 174.592 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.18 159.28 42.66 Favored 'General case' 0 CA--C 1.535 0.385 0 CA-C-N 115.801 -0.636 . . . . 72.13 111.102 178.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 61.5 p-90 -140.35 142.73 35.54 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-N 116.272 -0.422 . . . . 73.04 111.3 176.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.455 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 35.3 mt-10 -117.77 137.33 52.8 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-N 116.415 -0.357 . . . . 71.15 110.85 177.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.59 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.0 tt0 -97.11 94.96 7.45 Favored 'General case' 0 CA--C 1.54 0.573 0 CA-C-O 121.03 0.443 . . . . 71.35 111.217 -173.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.0 m -110.33 -179.82 0.97 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.646 0 CA-C-O 121.172 0.511 . . . . 64.13 111.904 -177.005 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 16.7 ptpt -107.88 166.66 10.54 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 121.376 0.608 . . . . 72.41 112.21 -175.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 4.7 tmmm? -78.91 -27.88 43.84 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-N 115.806 -0.633 . . . . 75.25 111.378 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -59.15 -39.07 81.29 Favored 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 112.202 0.445 . . . . 63.32 112.202 179.6 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -82.11 3.56 26.53 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.933 0.716 . . . . 65.01 112.933 -173.588 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 74.5 mt -65.95 142.9 98.25 Favored Pre-proline 0 CA--C 1.542 0.656 0 CA-C-O 120.579 0.228 . . . . 74.54 111.455 178.789 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.641 ' O ' HG12 ' A' ' 90' ' ' VAL . 13.9 Cg_endo -55.04 135.67 69.76 Favored 'Trans proline' 0 C--N 1.354 0.851 0 C-N-CA 122.992 2.461 . . . . 71.21 113.27 -176.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . 0.553 ' O ' ' HG2' ' A' ' 91' ' ' LYS . . . -49.37 -36.52 21.88 Favored 'General case' 0 N--CA 1.474 0.73 0 N-CA-C 113.061 0.763 . . . . 61.53 113.061 -176.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.46 ' HD3' ' HA ' ' A' ' 89' ' ' LYS . 69.7 mmtt -69.15 -22.1 63.96 Favored 'General case' 0 CA--C 1.538 0.499 0 N-CA-C 113.139 0.792 . . . . 75.12 113.139 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.641 HG12 ' O ' ' A' ' 87' ' ' PRO . 5.2 p -73.66 -35.51 44.41 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 O-C-N 121.939 -0.476 . . . . 64.21 110.948 179.62 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . 0.553 ' HG2' ' O ' ' A' ' 88' ' ' ALA . 19.3 ptpt -77.31 -28.49 53.25 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-O 120.84 0.352 . . . . 64.1 110.934 178.21 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.5 mt-10 -73.9 -11.57 60.4 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-O 120.942 0.401 . . . . 74.34 111.095 175.368 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 73.4 mmtt -103.58 -67.87 0.87 Allowed 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.851 0.358 . . . . 72.14 111.304 175.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 7.0 mp -99.53 127.36 45.61 Favored 'General case' 0 N--CA 1.472 0.633 0 CA-C-O 120.76 0.314 . . . . 74.32 110.82 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 71.62 54.82 8.08 Favored Glycine 0 CA--C 1.526 0.777 0 C-N-CA 120.77 -0.729 . . . . 65.53 112.157 -176.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.6 m -63.23 98.74 0.16 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.67 0 CA-C-O 121.941 0.877 . . . . 63.53 112.57 -174.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.629 ' HE2' ' HA ' ' A' ' 97' ' ' LYS . 9.9 mmpt? -106.49 125.89 51.56 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-N 115.537 -0.756 . . . . 74.25 110.251 175.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -78.98 83.49 5.07 Favored 'General case' 0 CA--C 1.536 0.422 0 CA-C-O 121.156 0.503 . . . . 74.32 111.27 -178.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -80.38 26.67 0.36 Allowed 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.087 -0.506 . . . . 74.34 111.521 176.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 19.4 t-160 69.15 -61.47 0.43 Allowed 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.094 0.558 . . . . 73.43 110.521 -172.579 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 36.5 t60 57.14 25.4 10.86 Favored 'General case' 0 N--CA 1.478 0.93 0 N-CA-C 112.254 0.464 . . . . 73.24 112.254 170.356 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -92.01 118.18 30.53 Favored 'General case' 0 CA--C 1.538 0.488 0 N-CA-C 111.865 0.32 . . . . 74.15 111.865 -175.494 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 76.1 t60 61.65 100.26 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.746 0 CA-C-O 121.035 0.445 . . . . 71.43 111.972 175.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 8.4 t-80 -92.57 -27.02 17.62 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.164 0.431 . . . . 73.55 112.164 -173.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 30.9 m-70 . . . . . 0 C--O 1.253 1.272 0 CA-C-O 118.774 -0.632 . . . . 71.31 111.648 175.79 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 43.1 ttm . . . . . 0 N--CA 1.489 1.505 0 N-CA-C 109.998 -0.371 . . . . 73.4 109.998 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 53.9 -171.78 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.807 0 N-CA-C 113.729 1.011 . . . . 50.54 113.729 169.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 1.7 pp -82.8 3.61 28.76 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.907 0.706 . . . . 74.11 112.907 -179.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 31.7 p30 -68.67 -6.21 24.75 Favored 'General case' 0 CA--C 1.546 0.822 0 N-CA-C 112.492 0.552 . . . . 71.43 112.492 -175.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 17.0 ptt180 -127.21 -1.08 6.4 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 111.787 0.291 . . . . 65.52 111.787 178.636 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . 0.492 ' SD ' ' N ' ' A' ' 7' ' ' GLY . 0.0 OUTLIER -123.37 138.51 54.59 Favored 'General case' 0 N--CA 1.472 0.64 0 CA-C-O 120.872 0.367 . . . . 73.44 111.474 -169.818 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.492 ' N ' ' SD ' ' A' ' 6' ' ' MET . . . 162.21 -146.74 12.36 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 120.701 -0.761 . . . . 73.33 113.45 175.596 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 24.4 ttmm -117.66 -85.55 0.64 Allowed 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 122.7 0.4 . . . . 71.34 110.589 179.693 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 26.2 m-20 -140.2 144.73 36.74 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 122.551 0.34 . . . . 74.11 110.099 175.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -115.58 136.86 52.64 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 121.253 0.549 . . . . 73.23 111.828 179.699 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.4 ' O ' HG22 ' A' ' 67' ' ' VAL . 52.4 m-85 -110.6 126.72 54.75 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 116.115 -0.493 . . . . 64.3 110.888 176.568 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 87.8 m-85 -85.73 100.06 11.75 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.937 0.399 . . . . 64.24 110.627 176.521 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.3 m -123.52 133.48 69.05 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.547 0 CA-C-O 120.869 0.366 . . . . 72.43 111.535 -178.49 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.477 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.2 pt20 -88.79 147.62 24.34 Favored 'General case' 0 CA--C 1.535 0.403 0 CA-C-O 121.077 0.465 . . . . 71.41 111.693 -178.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 50.4 mm -69.59 98.75 0.53 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.52 0 CA-C-O 120.897 0.379 . . . . 75.02 111.466 178.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.3 p -66.02 -57.15 8.41 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 121.133 0.492 . . . . 71.52 110.917 176.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -120.05 126.11 74.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.523 0 CA-C-N 116.047 -0.524 . . . . 74.14 111.427 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -107.01 176.35 5.2 Favored 'General case' 0 CA--C 1.537 0.468 0 CA-C-O 120.885 0.374 . . . . 60.13 110.471 176.461 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.64 8.33 67.19 Favored Glycine 0 CA--C 1.531 1.08 0 C-N-CA 121.126 -0.559 . . . . 64.52 114.35 179.451 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.528 ' HB3' ' HB3' ' A' ' 36' ' ' GLU . 55.6 mmtt -74.1 137.36 43.24 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-N 117.574 0.687 . . . . 63.42 110.086 176.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.528 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 36.5 mt-10 -133.94 122.77 23.58 Favored 'General case' 0 CA--C 1.541 0.598 0 N-CA-C 111.691 0.256 . . . . 72.31 111.691 -174.756 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.652 HG13 ' HB2' ' A' ' 36' ' ' GLU . 3.8 m -73.55 78.22 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.515 0 CA-C-O 121.864 0.84 . . . . 71.22 111.158 176.83 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -107.43 91.83 3.82 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.479 -0.782 . . . . 73.4 112.388 -178.274 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.0 t -59.93 -64.78 0.83 Allowed 'General case' 0 N--CA 1.474 0.761 0 CA-C-N 116.245 -0.434 . . . . 72.21 110.871 172.354 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt -113.44 0.12 14.64 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 121.149 0.499 . . . . 73.31 111.167 175.551 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.533 ' O ' ' HB3' ' A' ' 30' ' ' GLN . . . -77.33 32.97 0.15 Allowed 'General case' 0 CA--C 1.543 0.691 0 N-CA-C 113.268 0.84 . . . . 62.03 113.268 -171.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.9 m-20 -113.62 -25.19 8.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-O 121.276 0.56 . . . . 65.12 110.325 171.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 59.2 m-20 -111.92 19.53 17.83 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 115.993 -0.549 . . . . 70.2 111.337 -179.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 163.64 60.05 0.02 OUTLIER Glycine 0 CA--C 1.523 0.576 0 CA-C-N 116.201 -0.454 . . . . 53.51 112.057 -178.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.533 ' HB3' ' O ' ' A' ' 26' ' ' ALA . 11.4 pt20 -84.37 87.02 7.19 Favored 'General case' 0 CA--C 1.54 0.593 0 N-CA-C 113.123 0.786 . . . . 74.44 113.123 -171.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -87.44 -14.3 40.88 Favored 'General case' 0 N--CA 1.469 0.505 0 CA-C-O 122.174 0.987 . . . . 63.22 109.429 167.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -129.24 135.9 49.4 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-N 114.399 -1.273 . . . . 74.42 109.663 176.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.6 tptm -152.14 101.86 2.74 Favored 'General case' 0 N--CA 1.469 0.491 0 O-C-N 122.327 -0.233 . . . . 63.4 110.929 -174.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -112.38 156.76 21.95 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-O 120.728 0.299 . . . . 73.41 111.301 178.257 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.528 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 76.6 m-85 -102.7 164.14 11.81 Favored 'General case' 0 N--CA 1.47 0.528 0 N-CA-C 113.402 0.89 . . . . 73.53 113.402 -171.455 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.652 ' HB2' HG13 ' A' ' 22' ' ' VAL . 41.4 tt0 -133.72 142.35 47.93 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-N 115.573 -0.739 . . . . 70.34 111.074 -170.349 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 90.2 m-85 -143.06 107.84 4.88 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.109 0.48 . . . . 73.33 111.779 178.046 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.473 ' HG3' ' HG3' ' A' ' 52' ' ' GLU . 40.3 ttmt -96.31 101.3 12.91 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 116.322 -0.399 . . . . 73.34 110.388 174.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.407 HD23 ' O ' ' A' ' 38' ' ' LYS . 29.8 mt -123.36 168.46 12.49 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.162 0.506 . . . . 64.1 111.329 -176.629 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.1 m -108.0 112.5 25.1 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.008 0.433 . . . . 73.22 111.207 174.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -69.87 112.82 4.64 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 121.084 -0.579 . . . . 75.23 112.496 176.638 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -89.47 116.03 27.35 Favored 'General case' 0 N--CA 1.466 0.342 0 CA-C-O 121.028 0.442 . . . . 64.15 110.64 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.405 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.3 t70 -70.02 156.89 38.49 Favored 'General case' 0 CA--C 1.539 0.521 0 CA-C-N 116.115 -0.493 . . . . 75.43 112.021 -175.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 86.6 mttt -50.05 -42.15 49.16 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.692 -0.686 . . . . 63.34 112.519 -175.709 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -73.15 -24.44 60.59 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-O 121.03 0.443 . . . . 74.4 111.469 -178.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 119.0 31.16 1.47 Allowed Glycine 0 CA--C 1.527 0.786 0 C-N-CA 121.423 -0.418 . . . . 71.22 113.211 -177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.405 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 32.0 mmtp -96.26 170.91 8.92 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 120.827 0.346 . . . . 75.21 111.249 -178.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -110.48 137.36 48.28 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-O 120.933 0.396 . . . . 74.51 110.856 174.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 36.4 ttmt -140.05 137.64 34.74 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.013 0.435 . . . . 52.2 111.127 -179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.71 123.17 20.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 116.308 -0.406 . . . . 71.25 111.383 -178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.667 HD21 HG21 ' A' ' 67' ' ' VAL . 22.0 tp -136.77 86.75 2.23 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 121.229 0.537 . . . . 70.44 112.216 -173.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.473 ' HG3' ' HG3' ' A' ' 38' ' ' LYS . 8.0 mp0 -105.0 111.04 23.68 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-N 116.309 -0.405 . . . . 74.5 110.71 177.414 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 44.5 p90 -131.54 161.47 32.53 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.337 0.589 . . . . 74.02 112.272 -179.271 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 81.3 p -108.4 169.58 8.55 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 116.079 -0.51 . . . . 72.23 111.447 -179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -144.37 160.42 41.07 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.221 0.534 . . . . 22.24 111.529 179.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -95.98 -1.53 48.87 Favored 'General case' 0 N--CA 1.471 0.598 0 CA-C-N 116.066 -0.516 . . . . 74.42 111.05 177.704 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.4 mmtp -161.04 145.43 13.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.217 -0.447 . . . . 75.23 110.631 -176.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 65.6 t30 -81.64 125.07 30.12 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.53 0.205 . . . . 55.14 110.535 178.287 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.445 HD23 ' H ' ' A' ' 59' ' ' LEU . 0.8 OUTLIER -103.35 -165.92 1.21 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 120.922 0.392 . . . . 72.44 111.53 178.517 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -85.14 128.1 34.53 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.83 0.678 . . . . 73.02 112.83 -172.284 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.513 ' N ' ' HD3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -57.15 153.22 12.13 Favored 'General case' 0 N--CA 1.472 0.673 0 CA-C-N 115.609 -0.723 . . . . 65.4 112.484 177.586 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 67.66 -14.27 0.22 Allowed 'General case' 0 CA--C 1.551 1.016 0 N-CA-C 113.259 0.837 . . . . 64.33 113.259 177.261 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.442 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.92 146.68 51.03 Favored 'General case' 0 N--CA 1.47 0.556 0 O-C-N 121.966 -0.458 . . . . 73.45 111.17 179.1 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.477 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 65.9 m-85 -91.86 114.03 26.46 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-O 121.118 0.485 . . . . 75.14 111.798 -176.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.7 mt -86.29 122.11 29.81 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.158 0.504 . . . . 74.1 111.745 174.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 69.1 ttt180 -81.31 86.22 6.28 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 109.179 -0.674 . . . . 61.42 109.179 171.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.667 HG21 HD21 ' A' ' 51' ' ' LEU . 33.1 m -86.49 128.21 39.69 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.499 0 CA-C-O 122.149 0.976 . . . . 74.34 113.065 -172.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 51.0 t80 -73.46 108.43 6.32 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 114.52 -1.218 . . . . 72.41 110.539 173.016 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.444 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 12.4 t-80 -77.45 110.17 11.99 Favored 'General case' 0 CA--C 1.54 0.567 0 CA-C-N 116.324 -0.398 . . . . 75.44 111.994 -176.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 98.3 p -96.77 164.64 12.48 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 120.984 0.421 . . . . 71.44 110.857 175.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -82.04 -29.78 31.75 Favored 'General case' 0 CA--C 1.54 0.559 0 CA-C-O 121.027 0.441 . . . . 53.05 111.502 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 46.5 mtmt -74.13 -66.97 0.65 Allowed 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.729 0.64 . . . . 75.12 112.729 -174.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.45 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 3.7 mmmp? -117.69 26.87 9.4 Favored 'General case' 0 N--CA 1.475 0.783 0 N-CA-C 112.522 0.564 . . . . 74.23 112.522 -174.343 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.444 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 76.97 -60.17 3.47 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 121.03 -0.605 . . . . 60.43 113.934 178.575 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 87.8 t -127.16 127.97 69.94 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.655 0 O-C-N 122.362 -0.493 . . . . 73.1 111.464 179.661 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -107.94 -22.28 12.49 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-O 121.041 0.448 . . . . 33.11 111.471 177.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -153.41 155.8 37.05 Favored 'General case' 0 N--CA 1.471 0.588 0 CA-C-N 116.477 -0.329 . . . . 71.54 111.169 -179.819 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.534 ' HB3' HG12 ' A' ' 67' ' ' VAL . 25.6 p-90 -156.08 134.44 11.53 Favored 'General case' 0 N--CA 1.471 0.604 0 N-CA-C 112.503 0.557 . . . . 75.05 112.503 -178.167 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 39.6 mm-40 -117.84 148.43 42.12 Favored 'General case' 0 N--CA 1.474 0.732 0 CA-C-N 115.859 -0.609 . . . . 72.33 110.359 176.208 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -91.23 126.52 36.33 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-O 120.975 0.417 . . . . 72.5 111.815 -176.306 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 ' O ' ' A' ' 64' ' ' PHE . 18.9 m -127.8 154.23 38.07 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.769 0 C-N-CA 122.796 0.438 . . . . 71.14 110.571 175.578 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.52 ' HD3' ' N ' ' A' ' 82' ' ' LYS . 3.1 mppt? -107.47 151.29 25.76 Favored 'General case' 0 N--CA 1.473 0.704 0 O-C-N 121.966 -0.459 . . . . 74.3 111.384 -177.475 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -22.5 63.26 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-O 121.127 0.489 . . . . 75.22 111.915 -177.186 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -62.38 -32.4 73.2 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.152 0.501 . . . . 41.13 111.314 177.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.3 mt-10 -83.47 -10.58 58.27 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 115.798 -0.637 . . . . 74.45 112.083 -175.624 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.1 mt -76.15 132.68 73.15 Favored Pre-proline 0 CA--C 1.541 0.607 0 O-C-N 122.315 -0.241 . . . . 74.32 111.046 178.563 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.435 ' HG2' HG22 ' A' ' 90' ' ' VAL . 63.8 Cg_endo -71.72 159.56 50.52 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 122.575 2.183 . . . . 64.12 113.437 179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -63.52 -35.24 79.83 Favored 'General case' 0 N--CA 1.47 0.526 0 CA-C-N 116.074 -0.512 . . . . 73.23 112.295 -176.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.1 tttt -54.38 -41.46 69.22 Favored 'General case' 0 CA--C 1.54 0.589 0 N-CA-C 112.124 0.416 . . . . 70.35 112.124 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.435 HG22 ' HG2' ' A' ' 87' ' ' PRO . 33.6 m -93.58 -38.31 9.5 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 111.905 0.335 . . . . 71.32 111.905 179.64 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 39.1 ttmt -62.03 -56.18 21.62 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 121.121 0.486 . . . . 73.55 111.876 -178.31 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -77.78 6.1 8.15 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 120.962 0.41 . . . . 72.24 112.039 -178.482 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.42 ' C ' ' HD3' ' A' ' 93' ' ' LYS . 1.6 tmtp? -84.16 -39.28 19.61 Favored 'General case' 0 CA--C 1.537 0.453 0 CA-C-O 121.313 0.578 . . . . 74.02 109.888 170.416 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.6 tt -112.71 103.29 11.32 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 115.888 -0.596 . . . . 71.33 110.445 -178.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.6 54.98 1.37 Allowed Glycine 0 CA--C 1.528 0.904 0 C-N-CA 120.865 -0.683 . . . . 70.04 113.416 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 16.6 m -64.88 106.51 0.61 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.111 0.481 . . . . 53.31 111.274 176.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.404 ' C ' HD12 ' A' ' 98' ' ' LEU . 20.9 pttp -96.37 91.11 5.68 Favored 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 121.654 0.74 . . . . 74.44 112.379 -177.777 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.404 HD12 ' C ' ' A' ' 97' ' ' LYS . 6.5 mp -127.98 105.24 8.27 Favored 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 116.143 -0.48 . . . . 75.33 110.817 176.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -85.94 -53.66 4.96 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.3 0.572 . . . . 73.1 110.524 177.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 71.8 m80 -145.67 167.25 23.56 Favored 'General case' 0 N--CA 1.47 0.532 0 CA-C-N 115.77 -0.65 . . . . 72.12 110.356 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 86.2 m-70 -84.49 -51.29 7.02 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.276 0.56 . . . . 62.14 110.354 175.198 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 58.6 t-80 -156.27 144.31 19.66 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.652 -0.704 . . . . 64.41 110.332 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 70.2 m80 -63.72 160.55 16.86 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.074 0.464 . . . . 71.4 111.606 177.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 50.3 p-80 -58.41 151.93 18.91 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-N 116.312 -0.404 . . . . 70.24 111.845 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 54.0 t-80 . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.594 -0.717 . . . . 72.33 111.501 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 12.7 tpt . . . . . 0 N--CA 1.493 1.72 0 CA-C-O 121.181 0.515 . . . . 75.25 110.265 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -154.01 173.63 15.75 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.159 0.504 . . . . 71.32 111.673 -171.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pp -114.19 18.74 16.87 Favored 'General case' 0 CA--C 1.539 0.539 0 CA-C-N 115.83 -0.623 . . . . 65.54 110.627 172.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.9 m-20 -92.31 -75.33 0.49 Allowed 'General case' 0 CA--C 1.535 0.396 0 CA-C-N 115.919 -0.582 . . . . 73.05 111.639 -174.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 30.4 mmt180 -113.09 11.9 19.02 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.898 0.38 . . . . 64.11 111.653 -173.72 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.42 156.7 12.47 Favored 'General case' 0 CA--C 1.543 0.695 0 N-CA-C 112.631 0.604 . . . . 74.32 112.631 178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.74 49.95 0.02 OUTLIER Glycine 0 CA--C 1.526 0.747 0 C-N-CA 121.301 -0.476 . . . . 34.41 112.86 177.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.545 ' HD2' ' HE2' ' A' ' 68' ' ' TYR . 73.4 mmtt 50.47 81.71 0.06 Allowed 'General case' 0 N--CA 1.476 0.852 0 CA-C-O 121.11 0.481 . . . . 71.41 111.902 -175.27 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.424 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 3.6 m-20 -69.4 98.96 1.15 Allowed 'General case' 0 CA--C 1.537 0.475 0 CA-C-N 116.111 -0.495 . . . . 64.23 112.313 -176.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -104.58 107.24 18.09 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.511 0.672 . . . . 72.54 110.226 171.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.424 ' CE1' ' HB3' ' A' ' 9' ' ' ASP . 18.6 m-30 -92.38 124.12 36.2 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 116.07 -0.514 . . . . 70.51 111.17 -175.514 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.425 ' CE1' ' HG2' ' A' ' 66' ' ' ARG . 76.8 m-85 -78.4 99.36 6.36 Favored 'General case' 0 CA--C 1.535 0.372 0 CA-C-O 121.152 0.501 . . . . 64.34 110.612 178.398 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.406 ' O ' ' HA ' ' A' ' 64' ' ' PHE . 31.9 m -111.69 176.01 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.489 0 CA-C-N 115.908 -0.587 . . . . 71.24 111.45 -178.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -134.89 142.65 46.63 Favored 'General case' 0 CA--C 1.538 0.482 0 CA-C-O 120.704 0.288 . . . . 74.33 110.893 175.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.424 HD11 ' CD1' ' A' ' 65' ' ' LEU . 41.7 mm -74.61 99.98 1.53 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 N-CA-C 112.399 0.518 . . . . 73.33 112.399 -176.166 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 70.9 p -84.11 -65.03 1.06 Allowed 'General case' 0 N--CA 1.469 0.477 0 CA-C-O 120.899 0.38 . . . . 74.45 110.728 174.123 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 26.9 m -100.0 129.05 51.26 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 CA-C-O 121.016 0.436 . . . . 72.12 111.43 176.229 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -131.1 167.78 18.54 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-O 121.096 0.474 . . . . 73.43 111.479 -179.023 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.38 8.64 66.66 Favored Glycine 0 CA--C 1.529 0.908 0 N-CA-C 115.282 0.873 . . . . 75.05 115.282 171.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.61 ' HB2' ' HB3' ' A' ' 36' ' ' GLU . 7.8 mtpm? -69.4 91.11 0.54 Allowed 'General case' 0 CA--C 1.54 0.593 0 CA-C-N 117.906 0.853 . . . . 70.22 110.783 179.174 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -70.53 113.58 7.79 Favored 'General case' 0 N--CA 1.471 0.608 0 N-CA-C 112.327 0.491 . . . . 72.44 112.327 -174.483 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 12.8 m -96.16 85.46 1.58 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.8 0.809 . . . . 75.32 111.12 177.407 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.501 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 77.5 t60 -70.24 84.48 0.55 Allowed 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 115.713 -0.676 . . . . 64.24 111.492 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 44.5 t -130.97 -33.09 1.58 Allowed 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 112.299 0.481 . . . . 73.53 112.299 -178.457 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -74.85 25.73 0.09 Allowed 'General case' 0 CA--C 1.552 1.026 0 N-CA-C 112.539 0.57 . . . . 55.42 112.539 -173.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -102.68 18.7 20.73 Favored 'General case' 0 CA--C 1.54 0.564 0 O-C-N 121.708 -0.62 . . . . 73.11 111.937 -178.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -55.11 -37.43 66.87 Favored 'General case' 0 CA--C 1.544 0.741 0 N-CA-C 113.491 0.922 . . . . 65.12 113.491 -174.68 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 21.9 m120 -86.42 -0.29 55.67 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 112.673 0.62 . . . . 53.02 112.673 -178.556 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 118.44 -26.18 7.83 Favored Glycine 0 CA--C 1.526 0.741 0 C-N-CA 121.061 -0.59 . . . . 72.11 113.276 178.21 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -66.89 96.36 0.42 Allowed 'General case' 0 CA--C 1.535 0.383 0 CA-C-O 120.919 0.39 . . . . 52.34 111.411 -178.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 38.4 ttmt -79.52 74.8 6.16 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-O 121.264 0.554 . . . . 73.04 112.364 -174.569 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 55.7 p90 -124.87 -179.93 4.74 Favored 'General case' 0 N--CA 1.471 0.584 0 CA-C-N 116.2 -0.454 . . . . 72.15 111.019 171.027 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 47.4 mtmt -132.51 156.08 47.43 Favored 'General case' 0 N--CA 1.471 0.59 0 N-CA-C 112.784 0.661 . . . . 74.23 112.784 -173.518 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -114.92 156.71 24.51 Favored 'General case' 0 CA--C 1.54 0.562 0 CA-C-N 115.518 -0.764 . . . . 70.14 110.276 173.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 89.1 m-85 -103.83 113.51 27.09 Favored 'General case' 0 N--CA 1.472 0.655 0 N-CA-C 112.676 0.621 . . . . 71.24 112.676 -174.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.61 ' HB3' ' HB2' ' A' ' 20' ' ' LYS . 20.5 tt0 -76.96 138.35 39.6 Favored 'General case' 0 CA--C 1.539 0.542 0 CA-C-N 115.65 -0.704 . . . . 74.25 112.075 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.475 ' OH ' ' HA ' ' A' ' 58' ' ' ASN . 95.4 m-85 -132.39 98.21 4.32 Favored 'General case' 0 CA--C 1.539 0.54 0 CA-C-N 116.019 -0.537 . . . . 74.34 110.117 173.324 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 63.0 tttp -101.98 108.91 20.5 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 116.28 -0.418 . . . . 64.02 111.632 -174.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -148.98 159.94 43.75 Favored 'General case' 0 CA--C 1.547 0.857 0 N-CA-C 112.213 0.449 . . . . 62.32 112.213 -177.688 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 90.6 m -103.89 139.96 38.34 Favored 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 120.794 0.331 . . . . 63.24 111.541 -179.129 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.427 ' O ' ' HA ' ' A' ' 48' ' ' GLU . . . -120.95 140.76 14.39 Favored Glycine 0 CA--C 1.529 0.942 0 C-N-CA 121.304 -0.474 . . . . 74.34 113.354 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 30.7 m-85 -116.08 149.1 39.5 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 122.706 0.403 . . . . 74.1 110.581 178.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 29.9 t70 -167.52 164.49 14.82 Favored 'General case' 0 N--CA 1.477 0.909 0 N-CA-C 112.719 0.636 . . . . 62.05 112.719 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 60.1 mttp 68.23 -79.32 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.88 0 N-CA-C 113.799 1.037 . . . . 74.22 113.799 174.223 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -135.32 -21.82 1.56 Allowed 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.529 0.566 . . . . 64.15 112.529 -174.687 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 159.95 -0.62 0.08 OUTLIER Glycine 0 CA--C 1.527 0.841 0 C-N-CA 119.866 -1.159 . . . . 52.33 115.048 177.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 18.0 ptpt -69.64 145.65 52.27 Favored 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 118.001 0.9 . . . . 71.03 111.373 -179.752 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 13.3 pt-20 -135.75 136.35 40.7 Favored 'General case' 0 C--O 1.237 0.419 0 CA-C-O 121.194 0.521 . . . . 74.23 111.532 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -138.06 146.84 43.46 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-N 116.132 -0.485 . . . . 73.32 110.695 176.06 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -81.98 104.99 12.74 Favored 'General case' 0 N--CA 1.467 0.405 0 CA-C-O 120.921 0.391 . . . . 71.41 111.109 177.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 9.0 mp -89.12 83.0 6.52 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.568 0.699 . . . . 74.33 110.616 177.774 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.445 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -98.91 105.34 17.47 Favored 'General case' 0 CA--C 1.537 0.451 0 CA-C-N 115.509 -0.769 . . . . 72.21 110.984 -178.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.0 p90 -121.49 169.52 10.56 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-O 121.217 0.532 . . . . 70.32 112.164 -176.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 68.3 p -117.13 112.63 21.14 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 116.009 -0.541 . . . . 75.14 111.647 179.686 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.433 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -96.56 159.09 15.12 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-O 121.064 0.459 . . . . 61.44 111.026 178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.7 pt20 -81.3 -3.35 52.25 Favored 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.835 0.68 . . . . 74.15 112.835 -175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -169.22 165.48 10.94 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-O 120.859 0.361 . . . . 73.34 111.714 -177.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.475 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 14.8 m120 -68.7 158.96 33.12 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-O 121.192 0.52 . . . . 73.42 112.331 177.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.4 pp -139.59 -172.38 3.36 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.898 -0.592 . . . . 63.44 111.024 178.433 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -71.19 106.53 3.82 Favored 'General case' 0 N--CA 1.473 0.72 0 CA-C-O 121.35 0.595 . . . . 71.22 111.901 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 49.5 pttt -67.56 150.26 49.05 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.932 -0.576 . . . . 63.32 112.209 -179.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.7 tt0 75.26 -20.59 0.34 Allowed 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 123.784 0.834 . . . . 74.43 112.293 -178.298 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.5 167.09 17.46 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 120.918 0.39 . . . . 71.52 111.617 178.221 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.406 ' HA ' ' O ' ' A' ' 13' ' ' VAL . 49.3 m-85 -96.42 152.58 18.47 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-O 121.464 0.649 . . . . 74.32 112.351 -176.208 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.516 HD23 ' HA ' ' A' ' 80' ' ' GLU . 52.0 mt -130.68 128.68 41.38 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-N 115.637 -0.71 . . . . 71.55 111.672 179.507 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.609 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 54.6 mtp180 -81.04 86.12 6.18 Favored 'General case' 0 CA--C 1.535 0.397 0 N-CA-C 109.049 -0.723 . . . . 71.22 109.049 167.584 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 38.6 t -92.79 118.8 39.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 121.852 0.834 . . . . 63.34 112.25 -173.672 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.545 ' HE2' ' HD2' ' A' ' 8' ' ' LYS . 47.9 t80 -71.16 119.23 15.0 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 114.408 -1.269 . . . . 74.34 110.804 176.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.486 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 41.4 t-80 -96.02 115.77 27.93 Favored 'General case' 0 CA--C 1.534 0.333 0 CA-C-O 121.052 0.454 . . . . 64.53 111.743 -177.797 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.3 p -109.7 141.98 41.53 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.198 -0.455 . . . . 72.33 110.319 175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -66.16 -15.25 62.98 Favored 'General case' 0 CA--C 1.54 0.59 0 CA-C-O 121.054 0.454 . . . . 74.52 110.949 177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 87.7 mttt -57.72 -69.83 0.16 Allowed 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.675 -0.693 . . . . 71.55 111.593 178.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 64.1 mttp -136.7 35.53 2.66 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.229 -0.442 . . . . 62.4 110.974 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.486 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 78.15 -56.42 4.0 Favored Glycine 0 CA--C 1.529 0.91 0 C-N-CA 121.091 -0.575 . . . . 63.01 113.462 -179.553 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 88.9 t -119.05 146.49 23.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.486 0 CA-C-N 117.203 0.502 . . . . 64.01 112.282 -178.344 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.464 ' HB3' ' CD1' ' A' ' 68' ' ' TYR . 34.6 t -127.24 -38.31 1.98 Allowed 'General case' 0 N--CA 1.471 0.621 0 CA-C-N 116.119 -0.491 . . . . 51.44 111.09 175.241 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -149.94 165.36 32.86 Favored 'General case' 0 N--CA 1.473 0.689 0 CA-C-N 116.445 -0.343 . . . . 72.15 111.263 178.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 15.6 p-90 -153.95 134.86 13.8 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.451 0.537 . . . . 75.23 112.451 -178.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.609 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 28.4 mt-10 -113.79 145.28 41.64 Favored 'General case' 0 N--CA 1.47 0.573 0 CA-C-N 116.004 -0.543 . . . . 75.24 109.986 177.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.516 ' HA ' HD23 ' A' ' 65' ' ' LEU . 33.8 tt0 -97.02 134.34 40.51 Favored 'General case' 0 N--CA 1.472 0.652 0 O-C-N 121.793 -0.567 . . . . 62.54 112.272 -177.477 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.6 m -147.37 170.67 3.57 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.623 0 CA-C-N 116.048 -0.524 . . . . 75.4 111.309 178.33 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' HB2' ' HG3' ' A' ' 85' ' ' GLU . 63.3 mttp -111.76 164.62 12.86 Favored 'General case' 0 N--CA 1.47 0.538 0 CA-C-N 116.398 -0.364 . . . . 60.1 110.641 173.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.403 ' HB3' ' CE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -66.61 -21.13 66.13 Favored 'General case' 0 CA--C 1.539 0.522 0 C-N-CA 120.232 -0.587 . . . . 73.32 109.688 172.184 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 12.6 m-20 -71.69 -14.03 61.91 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-N 116.097 -0.501 . . . . 74.24 111.074 175.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.444 ' HG3' ' HB2' ' A' ' 82' ' ' LYS . 30.5 mt-10 -108.61 8.32 27.03 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.859 0.362 . . . . 74.11 111.494 -178.526 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.426 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 92.2 mt -106.53 127.41 28.23 Favored Pre-proline 0 CA--C 1.538 0.51 0 CA-C-N 116.428 -0.351 . . . . 74.42 111.207 179.536 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.426 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 34.9 Cg_exo -61.01 130.32 32.21 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 122.797 2.331 . . . . 43.34 113.1 179.441 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -56.85 -34.28 67.62 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 112.06 0.392 . . . . 71.1 112.06 -179.322 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 61.7 tttp -56.96 -44.27 82.42 Favored 'General case' 0 CA--C 1.538 0.497 0 CA-C-O 121.042 0.449 . . . . 74.54 111.087 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.6 t -69.55 -37.76 75.29 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.193 0.521 . . . . 72.34 110.634 176.588 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 tmtt? -59.54 -37.24 77.88 Favored 'General case' 0 CA--C 1.543 0.678 0 CA-C-N 115.948 -0.569 . . . . 73.21 111.114 177.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -84.36 -25.99 28.76 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 120.727 0.299 . . . . 75.35 111.635 176.236 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 60.2 tptt -62.32 -37.87 87.28 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-O 121.189 0.518 . . . . 62.13 110.995 174.378 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tt -70.76 92.63 0.89 Allowed 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 116.129 -0.487 . . . . 64.23 109.977 177.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 108.1 42.84 1.35 Allowed Glycine 0 CA--C 1.529 0.945 0 C-N-CA 121.05 -0.595 . . . . 73.14 113.396 -179.546 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.0 m -73.73 171.07 1.3 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 O-C-N 122.446 -0.443 . . . . 65.33 111.505 174.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 59.8 pttt -128.06 138.44 52.56 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 116.636 -0.256 . . . . 64.23 111.55 -178.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.431 ' HG ' ' H ' ' A' ' 100' ' ' HIS . 40.6 tp 67.56 153.68 0.09 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-O 121.287 0.565 . . . . 73.21 112.038 -179.62 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -58.61 -32.95 69.48 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-O 120.828 0.347 . . . . 34.53 111.859 178.139 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.431 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 48.6 t60 62.12 9.25 3.03 Favored 'General case' 0 CA--C 1.55 0.956 0 N-CA-C 112.875 0.694 . . . . 61.2 112.875 177.32 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -66.67 125.0 24.43 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 122.17 -0.331 . . . . 75.02 111.064 179.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 50.7 p-80 -140.63 -175.74 4.39 Favored 'General case' 0 CA--C 1.541 0.608 0 CA-C-O 121.171 0.51 . . . . 72.32 112.052 -175.628 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 58.9 t-80 -76.58 112.84 13.55 Favored 'General case' 0 CA--C 1.536 0.419 0 CA-C-N 116.303 -0.408 . . . . 74.23 111.017 178.664 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 35.7 p80 -108.72 167.01 10.38 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.807 0.337 . . . . 73.02 110.981 178.747 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 18.8 p80 . . . . . 0 C--O 1.253 1.262 0 CA-C-N 116.52 -0.309 . . . . 53.45 110.621 173.037 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.5 ptp . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 112.014 0.376 . . . . 74.24 112.014 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -75.12 75.57 2.29 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.371 0.605 . . . . 75.2 111.478 -178.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 2.0 pp -70.05 -5.09 24.26 Favored 'General case' 0 CA--C 1.543 0.707 0 N-CA-C 112.599 0.592 . . . . 75.42 112.599 -177.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 62.1 m-20 -61.53 -65.93 0.62 Allowed 'General case' 0 N--CA 1.471 0.615 0 N-CA-C 112.069 0.396 . . . . 71.42 112.069 -178.77 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 78.1 mtt180 -93.75 2.31 56.29 Favored 'General case' 0 N--CA 1.472 0.66 0 N-CA-C 112.299 0.481 . . . . 75.12 112.299 -178.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 90.4 mtp -94.35 -44.48 7.9 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-O 120.916 0.389 . . . . 74.52 110.812 173.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 65.61 -149.04 51.52 Favored Glycine 0 CA--C 1.527 0.785 0 CA-C-N 116.085 -0.507 . . . . 70.33 113.649 179.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -141.81 164.76 29.33 Favored 'General case' 0 N--CA 1.47 0.538 0 C-N-CA 122.78 0.432 . . . . 60.0 110.574 178.28 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.744 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 13.3 m-20 -95.5 134.96 37.75 Favored 'General case' 0 CA--C 1.537 0.464 0 N-CA-C 112.358 0.503 . . . . 72.41 112.358 -175.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -140.67 132.84 28.05 Favored 'General case' 0 CA--C 1.535 0.399 0 N-CA-C 109.382 -0.599 . . . . 74.0 109.382 165.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 39.6 m-85 -120.23 133.96 55.37 Favored 'General case' 0 N--CA 1.468 0.473 0 CA-C-O 120.966 0.413 . . . . 73.42 111.588 -174.02 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 66.0 m-85 -85.49 100.69 12.07 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 116.267 -0.424 . . . . 62.22 110.505 176.576 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.586 HG21 HD13 ' A' ' 39' ' ' LEU . 23.1 m -112.0 167.97 5.2 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.526 0 CA-C-O 121.327 0.584 . . . . 71.53 112.166 -177.485 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 5.9 mm-40 -112.45 158.06 20.32 Favored 'General case' 0 N--CA 1.466 0.357 0 CA-C-N 115.822 -0.626 . . . . 74.13 110.571 174.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.401 HG13 ' HA ' ' A' ' 61' ' ' LYS . 46.3 mm -70.86 84.65 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 CA-C-O 121.294 0.569 . . . . 64.12 110.668 179.052 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 74.9 p -71.9 -58.27 3.6 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-N 115.816 -0.629 . . . . 72.02 111.832 -179.228 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 m -112.35 106.25 20.38 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.647 0 CA-C-O 121.369 0.604 . . . . 73.34 111.595 179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.7 p-10 -103.52 149.07 25.21 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 116.102 -0.499 . . . . 72.35 111.194 177.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.04 9.53 66.85 Favored Glycine 0 CA--C 1.529 0.932 0 C-N-CA 121.057 -0.592 . . . . 72.32 114.28 179.011 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.507 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 12.2 tmtt? -77.42 84.92 3.83 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 117.337 0.569 . . . . 71.03 109.912 -177.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.403 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 13.0 pt-20 -84.0 150.91 25.32 Favored 'General case' 0 N--CA 1.471 0.576 0 N-CA-C 112.833 0.679 . . . . 74.23 112.833 -172.077 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.4 m -122.0 97.49 4.94 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.497 0 CA-C-O 121.577 0.703 . . . . 65.31 111.483 -178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.654 ' HB2' ' HG2' ' A' ' 33' ' ' LYS . 85.9 t60 -108.32 78.19 1.15 Allowed 'General case' 0 N--CA 1.467 0.425 0 CA-C-N 115.676 -0.693 . . . . 62.33 110.973 177.132 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 18.5 t -150.24 71.97 1.09 Allowed 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.937 0.399 . . . . 52.32 110.789 179.685 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 25' ' ' LYS . 0.0 OUTLIER -178.64 41.58 0.0 OUTLIER 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 116.049 -0.523 . . . . 73.13 110.651 -177.883 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -77.67 -30.05 51.85 Favored 'General case' 0 N--CA 1.472 0.668 0 N-CA-C 112.531 0.567 . . . . 63.25 112.531 -177.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 60.58 -82.35 0.02 OUTLIER 'General case' 0 N--CA 1.474 0.774 0 C-N-CA 122.787 0.435 . . . . 54.32 111.818 -178.731 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 64.7 t30 -108.27 -14.04 14.77 Favored 'General case' 0 CA--C 1.541 0.603 0 CA-C-O 121.045 0.45 . . . . 54.45 111.34 179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 146.56 24.37 0.1 OUTLIER Glycine 0 CA--C 1.528 0.882 0 C-N-CA 121.137 -0.554 . . . . 34.41 113.739 -179.702 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.3 tt0 -81.88 92.84 6.77 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-O 121.595 0.712 . . . . 72.15 110.066 176.748 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.507 ' HA ' ' HE1' ' A' ' 23' ' ' HIS . 93.6 mttt -88.19 38.29 0.85 Allowed 'General case' 0 C--N 1.321 -0.636 0 CA-C-N 115.459 -0.791 . . . . 72.13 113.042 -167.506 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 5.0 p90 -76.19 163.93 26.58 Favored 'General case' 0 CA--C 1.543 0.707 0 CA-C-O 120.911 0.386 . . . . 74.0 111.616 179.782 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.654 ' HG2' ' HB2' ' A' ' 23' ' ' HIS . 30.3 mtmt -147.36 117.89 7.48 Favored 'General case' 0 N--CA 1.472 0.64 0 N-CA-C 112.072 0.397 . . . . 63.31 112.072 -176.519 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 17.3 m-20 -103.37 178.33 4.59 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-N 116.139 -0.482 . . . . 74.34 110.438 173.299 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.457 ' O ' ' HA ' ' A' ' 54' ' ' THR . 90.5 m-85 -115.4 150.13 36.88 Favored 'General case' 0 N--CA 1.47 0.527 0 CA-C-O 120.68 0.276 . . . . 72.12 110.994 175.897 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.507 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 38.0 tt0 -119.77 106.86 12.52 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.052 0.453 . . . . 61.22 111.4 -172.515 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 81.3 m-85 -90.8 89.41 7.47 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-O 121.545 0.688 . . . . 75.33 111.465 178.484 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.1 ttmm -84.27 92.72 8.05 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 115.183 -0.917 . . . . 74.25 109.757 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.586 HD13 HG21 ' A' ' 13' ' ' VAL . 26.0 mt -114.61 166.69 11.45 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.938 0.718 . . . . 72.42 112.938 -168.511 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 24.0 m -116.44 110.89 19.24 Favored 'General case' 0 N--CA 1.469 0.507 0 CA-C-N 115.904 -0.589 . . . . 73.31 110.275 171.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.532 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -92.44 137.64 13.8 Favored Glycine 0 CA--C 1.519 0.337 0 C-N-CA 121.096 -0.573 . . . . 74.13 112.865 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.498 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 67.1 m-85 -89.86 123.57 33.93 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-O 121.167 0.508 . . . . 71.04 110.845 179.29 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -68.51 169.49 10.82 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-N 115.524 -0.762 . . . . 72.24 112.482 -170.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.731 ' H ' ' HD3' ' A' ' 44' ' ' LYS . 2.4 mppt? -59.17 -25.18 63.7 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 116.01 -0.541 . . . . 65.45 111.591 -178.496 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 67.8 m-20 -92.31 -10.99 36.31 Favored 'General case' 0 CA--C 1.54 0.592 0 N-CA-C 111.964 0.357 . . . . 60.14 111.964 176.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 100.43 28.82 6.95 Favored Glycine 0 CA--C 1.529 0.923 0 C-N-CA 121.321 -0.466 . . . . 44.4 113.28 -177.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.498 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 89.0 mttt -96.08 178.33 5.44 Favored 'General case' 0 N--CA 1.473 0.675 0 O-C-N 122.643 -0.327 . . . . 55.33 111.17 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -102.11 122.82 44.87 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-O 120.783 0.325 . . . . 63.23 110.896 175.396 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.594 ' HD3' ' N ' ' A' ' 50' ' ' GLU . 5.7 tmtm? -124.67 140.8 52.6 Favored 'General case' 0 CA--C 1.543 0.684 0 CA-C-O 120.915 0.388 . . . . 63.51 110.098 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.594 ' N ' ' HD3' ' A' ' 49' ' ' LYS . 0.4 OUTLIER -84.4 121.66 27.86 Favored 'General case' 0 CA--C 1.543 0.682 0 CA-C-O 120.831 0.348 . . . . 73.43 111.817 -176.7 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.422 HD22 ' C ' ' A' ' 50' ' ' GLU . 3.7 mm? -123.53 142.88 50.58 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-O 120.843 0.354 . . . . 65.34 110.997 176.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -156.51 125.91 6.17 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 120.779 0.323 . . . . 74.11 111.223 177.363 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 45.0 p90 -147.4 146.58 29.65 Favored 'General case' 0 N--CA 1.469 0.492 0 CA-C-O 121.228 0.537 . . . . 61.24 111.678 177.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.457 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 71.5 p -93.65 117.23 29.81 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 116.026 -0.534 . . . . 75.21 111.513 178.255 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.8 137.93 35.93 Favored 'General case' 0 N--CA 1.467 0.42 0 CA-C-O 120.923 0.392 . . . . 70.11 111.541 179.684 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.413 ' OE1' ' N ' ' A' ' 56' ' ' GLN . 7.9 pm0 -69.81 -21.49 63.39 Favored 'General case' 0 N--CA 1.472 0.627 0 CA-C-O 121.215 0.531 . . . . 75.34 111.185 177.438 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -128.27 143.15 51.0 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-N 115.818 -0.628 . . . . 63.44 110.727 -179.605 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 5.9 t30 -77.78 109.22 11.6 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 120.88 0.372 . . . . 63.41 110.254 174.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 40.2 mt -67.82 168.62 11.19 Favored 'General case' 0 CA--C 1.542 0.64 0 CA-C-O 121.224 0.535 . . . . 71.33 112.006 -177.677 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 55.0 mtt180 -75.22 132.06 40.83 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.538 0.685 . . . . 71.41 112.47 -178.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.406 ' HG2' ' H ' ' A' ' 61' ' ' LYS . 44.2 pttt -78.03 156.36 30.15 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.52 -0.764 . . . . 73.23 112.609 -177.508 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' HG2' ' O ' ' A' ' 62' ' ' GLU . 39.5 tt0 73.52 3.51 4.57 Favored 'General case' 0 N--CA 1.48 1.054 0 C-N-CA 123.891 0.877 . . . . 73.22 111.851 -176.55 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.57 145.94 24.19 Favored 'General case' 0 CA--C 1.538 0.486 0 O-C-N 121.909 -0.494 . . . . 71.31 111.544 177.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.559 ' HE1' ' HB3' ' A' ' 83' ' ' LYS . 79.1 m-85 -85.13 107.95 17.46 Favored 'General case' 0 N--CA 1.468 0.451 0 CA-C-O 121.342 0.592 . . . . 72.41 110.752 177.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.72 HD21 ' HB2' ' A' ' 78' ' ' TRP . 1.3 tt -90.38 115.79 27.83 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 115.864 -0.607 . . . . 71.41 111.148 -174.357 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -81.65 97.13 7.74 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 120.796 0.332 . . . . 75.21 110.359 173.42 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 27.3 m -90.24 129.42 41.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-O 121.563 0.697 . . . . 64.31 111.862 -178.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.427 ' CD2' ' HB3' ' A' ' 76' ' ' SER . 68.8 t80 -94.04 122.9 37.02 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.196 -0.911 . . . . 74.33 111.587 -176.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.744 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 52.1 t-80 -114.91 143.12 45.64 Favored 'General case' 0 CA--C 1.54 0.563 0 CA-C-O 121.386 0.612 . . . . 75.4 111.788 -176.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.504 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 73.0 m -138.42 152.35 48.29 Favored 'General case' 0 N--CA 1.469 0.519 0 CA-C-N 116.282 -0.417 . . . . 61.2 111.046 176.666 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -55.71 -70.95 0.1 Allowed 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 113.035 0.754 . . . . 71.45 113.035 -174.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -88.12 24.05 1.95 Allowed 'General case' 0 N--CA 1.473 0.686 0 N-CA-C 112.334 0.494 . . . . 73.3 112.334 -176.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.504 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 0.5 OUTLIER -138.94 -16.65 1.1 Allowed 'General case' 0 N--CA 1.474 0.748 0 N-CA-C 111.937 0.347 . . . . 64.31 111.937 -179.809 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.493 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 65.23 -82.54 0.07 OUTLIER Glycine 0 CA--C 1.528 0.892 0 C-N-CA 120.98 -0.628 . . . . 75.52 112.398 -175.768 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 60.9 t -120.68 144.09 30.66 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.553 0 CA-C-N 116.975 0.388 . . . . 65.05 110.691 177.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.427 ' HB3' ' CD2' ' A' ' 68' ' ' TYR . 43.9 t -133.58 -39.31 0.9 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.175 0.435 . . . . 63.52 112.175 -178.446 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -148.6 170.14 18.76 Favored 'General case' 0 N--CA 1.473 0.687 0 CA-C-O 120.719 0.295 . . . . 62.21 111.719 -178.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.72 ' HB2' HD21 ' A' ' 65' ' ' LEU . 27.5 p-90 -159.85 142.65 13.75 Favored 'General case' 0 N--CA 1.473 0.682 0 CA-C-O 121.288 0.566 . . . . 72.04 112.47 178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -129.42 149.88 51.01 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 116.051 -0.522 . . . . 72.21 110.753 178.446 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -115.14 117.77 31.46 Favored 'General case' 0 N--CA 1.473 0.707 0 O-C-N 122.138 -0.351 . . . . 74.51 111.819 -178.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 33.6 m -116.36 168.64 7.72 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 CA-C-O 120.811 0.339 . . . . 72.34 111.013 176.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.2 mmmm -110.3 161.87 15.19 Favored 'General case' 0 N--CA 1.472 0.632 0 O-C-N 122.022 -0.424 . . . . 72.41 111.445 -179.423 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.559 ' HB3' ' HE1' ' A' ' 64' ' ' PHE . 0.0 OUTLIER -56.07 -26.27 48.77 Favored 'General case' 0 N--CA 1.476 0.831 0 N-CA-C 113.322 0.86 . . . . 73.04 113.322 -176.143 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . 0.543 ' N ' ' HD2' ' A' ' 83' ' ' LYS . 28.4 t70 -61.7 -29.62 70.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.056 0.455 . . . . 73.1 112.066 -179.696 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.5 mt-10 -85.23 2.73 42.6 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.574 0.583 . . . . 64.22 112.574 -174.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.6 mt -106.1 141.64 23.16 Favored Pre-proline 0 N--CA 1.473 0.69 0 N-CA-C 112.126 0.417 . . . . 62.53 112.126 -176.806 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 58.7 Cg_endo -72.3 163.84 37.44 Favored 'Trans proline' 0 CA--C 1.542 0.921 0 C-N-CA 122.678 2.252 . . . . 75.02 112.863 175.596 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -75.78 -57.96 3.57 Favored 'General case' 0 CA--C 1.539 0.556 0 N-CA-C 113.025 0.75 . . . . 75.51 113.025 -173.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 31.4 mmtm -51.18 -32.97 25.24 Favored 'General case' 0 N--CA 1.475 0.823 0 N-CA-C 113.817 1.043 . . . . 62.31 113.817 -172.667 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 14.0 p -70.39 -45.22 75.96 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.754 0 CA-C-O 120.97 0.414 . . . . 74.21 111.643 177.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 22.0 ptmt -84.14 -8.81 58.98 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.015 0.436 . . . . 72.32 111.178 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -71.23 -5.96 36.05 Favored 'General case' 0 CA--C 1.545 0.787 0 CA-C-O 121.353 0.597 . . . . 72.41 111.122 178.728 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 57.5 mtmt -110.06 -32.8 6.88 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 116.207 -0.451 . . . . 74.31 111.709 174.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.428 HD12 ' N ' ' A' ' 94' ' ' LEU . 6.8 mp -93.92 124.48 37.95 Favored 'General case' 0 CA--C 1.542 0.639 0 CA-C-O 120.927 0.394 . . . . 75.22 111.411 -179.178 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 70.76 55.39 8.37 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 121.146 -0.55 . . . . 51.14 113.023 -178.352 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 27.7 t -107.75 141.73 22.26 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.394 0 CA-C-O 121.333 0.587 . . . . 74.52 112.211 -178.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -159.51 -39.13 0.06 Allowed 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.253 -0.885 . . . . 63.23 110.198 174.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 88.7 mt -78.64 104.14 9.05 Favored 'General case' 0 CA--C 1.539 0.552 0 CA-C-N 116.152 -0.476 . . . . 73.44 110.9 177.164 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.401 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 37.7 tt0 -56.87 -23.74 46.71 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 112.98 0.733 . . . . 73.3 112.98 -177.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.401 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 68.0 m80 66.08 -157.94 0.26 Allowed 'General case' 0 CA--C 1.54 0.594 0 N-CA-C 109.811 -0.44 . . . . 70.0 109.811 -169.676 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 8.7 m-70 -123.42 136.59 54.69 Favored 'General case' 0 C--N 1.327 -0.371 0 O-C-N 121.896 -0.503 . . . . 72.04 110.69 175.465 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -68.1 84.83 0.24 Allowed 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.247 0.546 . . . . 70.32 111.34 -176.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -166.33 123.7 1.37 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.879 -0.6 . . . . 64.43 111.111 -176.747 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.1 p-80 -91.78 144.8 25.13 Favored 'General case' 0 N--CA 1.47 0.529 0 CA-C-O 120.624 0.249 . . . . 71.02 110.687 177.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 . . . . . 0 C--O 1.253 1.252 0 CA-C-O 118.887 -0.578 . . . . 61.54 111.142 177.857 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.476 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.491 1.616 0 CA-C-O 121.084 0.469 . . . . 72.03 111.024 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -93.07 116.34 28.95 Favored 'General case' 0 CA--C 1.538 0.491 0 CA-C-O 121.14 0.495 . . . . 74.13 112.08 -173.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.618 ' H ' HD23 ' A' ' 3' ' ' LEU . 2.7 pt? -97.84 0.93 47.61 Favored 'General case' 0 N--CA 1.471 0.585 0 CA-C-N 116.335 -0.393 . . . . 52.05 111.787 179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 36.5 m-80 -98.46 -65.13 0.98 Allowed 'General case' 0 CA--C 1.539 0.537 0 O-C-N 122.269 -0.269 . . . . 72.24 111.515 178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 64.3 mtm180 -93.73 82.27 4.31 Favored 'General case' 0 N--CA 1.468 0.465 0 CA-C-O 121.282 0.563 . . . . 60.04 110.328 177.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 2.0 ppp? -119.27 165.07 14.72 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 115.769 -0.651 . . . . 72.14 112.34 -176.35 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 59.25 -143.33 46.13 Favored Glycine 0 CA--C 1.531 1.049 0 CA-C-N 115.824 -0.626 . . . . 52.42 114.393 173.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.564 ' HD2' ' N ' ' A' ' 8' ' ' LYS . 0.2 OUTLIER 66.07 -176.48 0.19 Allowed 'General case' 0 N--CA 1.473 0.685 0 C-N-CA 123.318 0.647 . . . . 74.04 111.92 -177.87 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 17.2 m-20 -121.79 121.32 36.96 Favored 'General case' 0 CA--C 1.539 0.541 0 N-CA-C 113.397 0.888 . . . . 75.41 113.397 -169.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 9.0 mp0 -97.31 114.67 26.48 Favored 'General case' 0 CA--C 1.538 0.49 0 CA-C-N 116.037 -0.529 . . . . 60.21 110.024 169.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 82.1 m-85 -93.24 121.31 34.47 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-O 121.044 0.449 . . . . 73.11 111.396 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.8 m-85 -85.31 99.88 11.44 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-N 115.985 -0.552 . . . . 75.24 110.879 179.09 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.613 HG21 HD13 ' A' ' 39' ' ' LEU . 30.7 m -128.12 152.13 35.83 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.405 0 CA-C-N 115.93 -0.577 . . . . 74.51 111.111 -178.237 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.56 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 3.9 pt20 -95.55 139.96 31.08 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 120.875 0.369 . . . . 73.23 110.894 177.661 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.487 HD11 HD13 ' A' ' 65' ' ' LEU . 46.2 mm -76.15 114.96 17.03 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.421 0 CA-C-O 120.971 0.415 . . . . 74.12 111.365 -179.394 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 66.4 p -102.42 -66.61 0.92 Allowed 'General case' 0 CA--C 1.537 0.476 0 CA-C-N 116.291 -0.413 . . . . 75.24 111.583 178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.4 m -94.81 130.7 43.27 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.588 0 CA-C-O 121.523 0.678 . . . . 74.43 112.802 -177.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.9 p30 -131.31 -174.86 3.51 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.621 -0.718 . . . . 75.33 111.174 179.155 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 9.2 70.14 Favored Glycine 0 CA--C 1.532 1.147 0 N-CA-C 115.251 0.86 . . . . 63.14 115.251 173.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 25.5 mmtp -69.6 94.75 0.8 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-N 117.523 0.661 . . . . 73.13 111.722 179.157 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -79.67 107.28 12.33 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 122.133 -0.354 . . . . 60.32 111.748 177.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.434 HG22 ' O ' ' A' ' 34' ' ' ASP . 31.3 m -92.85 58.89 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.672 0 CA-C-O 121.618 0.723 . . . . 73.43 111.385 175.55 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 2.6 p-80 -98.08 37.67 1.4 Allowed 'General case' 0 N--CA 1.47 0.562 0 CA-C-N 115.854 -0.612 . . . . 75.22 110.92 -178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.8 t -50.66 -34.53 26.77 Favored 'General case' 0 N--CA 1.477 0.899 0 N-CA-C 114.078 1.14 . . . . 75.54 114.078 -170.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.5 tttm -108.42 22.05 16.46 Favored 'General case' 0 CA--C 1.547 0.838 0 O-C-N 121.996 -0.44 . . . . 63.44 111.739 -175.471 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.462 ' HB1' ' HA ' ' A' ' 31' ' ' LYS . . . -70.71 -24.45 62.65 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.727 0.64 . . . . 72.05 112.727 -177.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 -60.63 -16.95 43.93 Favored 'General case' 0 N--CA 1.473 0.693 0 N-CA-C 112.767 0.655 . . . . 64.22 112.767 -176.614 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -77.0 -6.79 54.02 Favored 'General case' 0 CA--C 1.542 0.669 0 N-CA-C 112.205 0.446 . . . . 73.4 112.205 179.702 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 134.15 -41.81 1.42 Allowed Glycine 0 CA--C 1.528 0.851 0 C-N-CA 121.106 -0.569 . . . . 73.44 113.889 174.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -90.47 111.55 22.86 Favored 'General case' 0 N--CA 1.467 0.415 0 O-C-N 122.329 -0.512 . . . . 64.44 111.21 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 93.9 mttt -90.78 77.19 6.3 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 121.343 0.592 . . . . 74.54 111.606 -177.274 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.0 p90 -79.65 129.54 34.57 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 115.914 -0.585 . . . . 73.21 111.105 178.283 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 1.7 mptm? -118.63 103.61 9.86 Favored 'General case' 0 N--CA 1.472 0.673 0 N-CA-C 112.872 0.693 . . . . 72.2 112.872 -179.445 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.434 ' O ' HG22 ' A' ' 22' ' ' VAL . 6.4 m-20 -109.85 128.07 55.09 Favored 'General case' 0 CA--C 1.541 0.6 0 CA-C-N 116.041 -0.527 . . . . 64.42 109.949 169.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.439 ' O ' ' HA ' ' A' ' 54' ' ' THR . 54.9 m-85 -89.29 114.73 26.15 Favored 'General case' 0 N--CA 1.47 0.534 0 N-CA-C 111.772 0.286 . . . . 75.42 111.772 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' HB3' ' CB ' ' A' ' 20' ' ' LYS . 20.9 tt0 -78.78 139.7 38.37 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 120.949 0.404 . . . . 63.24 111.282 175.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.444 ' HE1' ' HB3' ' A' ' 55' ' ' ALA . 93.8 m-85 -118.87 110.03 16.71 Favored 'General case' 0 CA--C 1.534 0.352 0 CA-C-O 121.009 0.433 . . . . 72.54 110.402 174.091 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.5 tppt? -96.57 113.05 24.58 Favored 'General case' 0 N--CA 1.468 0.443 0 CA-C-N 115.956 -0.565 . . . . 70.22 111.292 -175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.613 HD13 HG21 ' A' ' 13' ' ' VAL . 0.9 OUTLIER -152.12 167.82 27.28 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.99 0.424 . . . . 73.25 111.817 179.81 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 60.8 m -116.3 120.92 40.44 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 111.965 0.358 . . . . 75.33 111.965 -174.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -91.09 147.1 18.7 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 121.401 -0.428 . . . . 70.31 112.408 175.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.465 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 96.6 m-85 -113.03 106.9 15.24 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 121.232 0.539 . . . . 75.3 112.057 -178.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.673 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 21.5 t70 -81.28 137.53 35.79 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.02 -0.536 . . . . 71.0 110.387 177.487 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.413 ' O ' ' HG2' ' A' ' 44' ' ' LYS . 20.6 ttmm 60.96 14.98 5.7 Favored 'General case' 0 CA--C 1.549 0.905 0 CA-C-O 120.944 0.402 . . . . 73.22 110.925 -179.396 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 34.3 t70 68.2 5.51 4.71 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-O 121.191 0.52 . . . . 63.41 111.818 -178.209 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . -132.25 -42.53 0.18 Allowed Glycine 0 CA--C 1.527 0.831 0 C-N-CA 121.208 -0.52 . . . . 41.15 113.455 -178.048 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.673 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.4 mmtt -71.2 135.21 47.43 Favored 'General case' 0 CA--C 1.536 0.441 0 O-C-N 122.546 -0.385 . . . . 74.15 111.393 179.681 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -97.28 142.56 29.02 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-O 120.788 0.327 . . . . 74.14 111.025 177.629 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.707 ' HE3' ' H ' ' A' ' 50' ' ' GLU . 0.0 OUTLIER -144.16 130.02 19.35 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 121.058 0.456 . . . . 75.24 111.066 176.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.707 ' H ' ' HE3' ' A' ' 49' ' ' LYS . 4.2 mp0 -71.31 115.81 10.9 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-N 115.948 -0.569 . . . . 72.01 111.099 177.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 11.2 mp -113.55 117.97 33.14 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.052 0.453 . . . . 73.32 111.344 176.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -130.55 115.01 16.18 Favored 'General case' 0 CA--C 1.538 0.514 0 CA-C-O 121.091 0.472 . . . . 75.3 110.964 176.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 39.6 p90 -127.13 160.87 29.89 Favored 'General case' 0 N--CA 1.469 0.523 0 CA-C-N 116.169 -0.469 . . . . 73.41 111.026 179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.439 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 70.2 p -115.86 145.72 42.62 Favored 'General case' 0 N--CA 1.473 0.68 0 N-CA-C 112.544 0.572 . . . . 54.11 112.544 -176.66 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.444 ' HB3' ' HE1' ' A' ' 37' ' ' TYR . . . -133.99 163.26 29.93 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.007 -0.542 . . . . 35.44 111.055 176.269 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -91.19 -8.09 49.55 Favored 'General case' 0 N--CA 1.474 0.761 0 N-CA-C 111.938 0.348 . . . . 65.12 111.938 -179.645 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 ptmt -145.31 169.77 17.6 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.406 -0.361 . . . . 74.01 111.265 -177.598 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 26.0 p30 -73.33 143.54 46.87 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 120.947 0.403 . . . . 63.13 110.458 173.651 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 59.7 mt -105.91 -80.17 0.56 Allowed 'General case' 0 N--CA 1.467 0.41 0 CA-C-O 120.891 0.377 . . . . 72.55 111.425 -176.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.1 mmt85 -151.88 173.93 14.21 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 116.229 -0.441 . . . . 74.55 111.087 -177.38 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.502 ' O ' ' HB3' ' A' ' 62' ' ' GLU . 29.5 mtpp -139.91 138.21 35.46 Favored 'General case' 0 N--CA 1.468 0.458 0 N-CA-C 109.332 -0.618 . . . . 74.13 109.332 170.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.502 ' HB3' ' O ' ' A' ' 61' ' ' LYS . 39.2 tt0 74.46 -36.29 0.32 Allowed 'General case' 0 N--CA 1.479 1.01 0 C-N-CA 122.693 0.397 . . . . 74.23 112.053 -176.861 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.21 156.77 38.17 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 120.881 0.372 . . . . 35.21 111.662 179.289 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.56 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 94.6 m-85 -89.88 166.8 13.29 Favored 'General case' 0 N--CA 1.468 0.45 0 CA-C-O 121.45 0.643 . . . . 73.33 111.888 -175.399 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.693 HD21 ' HB2' ' A' ' 78' ' ' TRP . 3.9 tt -154.87 126.71 7.57 Favored 'General case' 0 CA--C 1.543 0.677 0 CA-C-N 116.002 -0.544 . . . . 64.23 110.361 -176.544 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 44.4 mtp180 -80.47 96.35 6.73 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 116.467 -0.333 . . . . 72.42 110.526 177.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 44.1 t -88.22 121.11 38.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 CA-C-O 121.607 0.717 . . . . 73.54 111.819 -179.257 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 80.1 t80 -79.2 106.44 11.24 Favored 'General case' 0 CA--C 1.537 0.463 0 CA-C-N 114.97 -1.014 . . . . 63.31 111.283 -178.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -82.94 114.42 21.21 Favored 'General case' 0 CA--C 1.534 0.344 0 CA-C-N 116.037 -0.529 . . . . 72.2 111.812 -177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.4 m -68.03 173.64 4.42 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-N 116.184 -0.462 . . . . 60.01 110.485 173.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 37.3 t70 -50.83 -42.43 58.43 Favored 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 112.03 0.382 . . . . 65.04 112.03 -177.684 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 94.4 mttt -110.83 -72.21 0.73 Allowed 'General case' 0 N--CA 1.472 0.63 0 CA-C-O 121.136 0.494 . . . . 64.44 112.147 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 18.6 ptpt -156.73 -156.04 0.58 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 116.222 -0.445 . . . . 74.12 111.179 -172.606 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 78.56 -48.38 3.17 Favored Glycine 0 CA--C 1.533 1.184 0 N-CA-C 114.43 0.532 . . . . 64.12 114.43 177.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 99.6 t 72.48 114.21 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.474 0.76 0 CA-C-O 121.422 0.63 . . . . 73.11 111.816 179.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 45.4 t -86.32 -28.73 23.52 Favored 'General case' 0 N--CA 1.471 0.618 0 N-CA-C 112.491 0.552 . . . . 20.32 112.491 -177.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -152.3 166.96 30.18 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.335 0.494 . . . . 72.54 112.335 -176.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.693 ' HB2' HD21 ' A' ' 65' ' ' LEU . 43.3 p-90 -162.29 140.93 9.06 Favored 'General case' 0 CA--C 1.545 0.754 0 CA-C-N 116.221 -0.445 . . . . 74.13 111.615 179.29 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -124.75 144.06 50.45 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 122.57 0.348 . . . . 71.44 111.22 -179.322 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.2 tm-20 -98.72 131.5 44.83 Favored 'General case' 0 N--CA 1.473 0.722 0 CA-C-O 121.043 0.449 . . . . 73.52 111.762 -176.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.7 m -146.72 134.03 14.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-O 121.112 0.482 . . . . 73.34 111.97 -177.078 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -92.57 159.17 15.61 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.848 -0.533 . . . . 74.05 110.802 174.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.21 -18.12 60.16 Favored 'General case' 0 N--CA 1.475 0.81 0 CA-C-O 121.1 0.476 . . . . 75.14 111.019 178.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -68.81 -38.39 79.89 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-N 115.884 -0.598 . . . . 65.21 110.765 174.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -77.4 -34.41 54.82 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.745 -0.661 . . . . 73.12 111.137 -178.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.2 mt -70.51 147.88 95.03 Favored Pre-proline 0 CA--C 1.54 0.594 0 CA-C-N 115.9 -0.591 . . . . 63.1 111.804 -178.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.413 ' HG2' HG23 ' A' ' 90' ' ' VAL . 37.9 Cg_endo -65.97 147.6 84.85 Favored 'Trans proline' 0 CA--C 1.541 0.835 0 C-N-CA 122.492 2.128 . . . . 64.5 113.095 178.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.19 -28.82 43.2 Favored 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 116.331 -0.395 . . . . 73.43 111.911 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 95.6 mttt -50.34 -38.59 42.75 Favored 'General case' 0 N--CA 1.472 0.638 0 N-CA-C 112.15 0.426 . . . . 61.24 112.15 177.692 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.413 HG23 ' HG2' ' A' ' 87' ' ' PRO . 60.0 t -69.41 -55.99 13.28 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.53 0 CA-C-O 121.069 0.461 . . . . 52.45 111.462 -178.347 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt -71.08 -13.78 62.08 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-O 120.816 0.341 . . . . 71.32 111.617 -179.486 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.0 tt0 -68.09 -16.6 64.09 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.365 0.603 . . . . 72.2 110.498 173.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 23.3 tptm -100.58 -51.91 3.48 Favored 'General case' 0 CA--C 1.54 0.561 0 CA-C-N 116.198 -0.455 . . . . 64.3 110.443 172.601 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.0 mp -103.95 101.21 10.99 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-O 120.807 0.336 . . . . 71.41 111.709 179.244 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 94.83 52.72 1.75 Allowed Glycine 0 CA--C 1.528 0.903 0 N-CA-C 114.641 0.616 . . . . 64.45 114.641 172.362 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 19.7 m -72.72 115.97 14.17 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 O-C-N 122.275 -0.544 . . . . 75.44 111.279 174.701 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 52.6 mtpt -110.98 166.09 11.33 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 120.985 0.421 . . . . 75.21 111.836 -178.073 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.442 HD23 ' H ' ' A' ' 98' ' ' LEU . 2.2 pt? -72.01 27.91 0.05 OUTLIER 'General case' 0 N--CA 1.478 0.952 0 N-CA-C 112.669 0.618 . . . . 73.33 112.669 177.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -82.36 4.28 24.57 Favored 'General case' 0 CA--C 1.542 0.652 0 N-CA-C 113.17 0.804 . . . . 70.21 113.17 -172.689 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 33.5 m80 -68.9 110.27 4.32 Favored 'General case' 0 N--CA 1.47 0.562 0 CA-C-O 120.839 0.352 . . . . 74.24 110.584 178.575 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 61.0 t-80 -111.51 156.23 22.03 Favored 'General case' 0 CA--C 1.543 0.691 0 CA-C-O 120.975 0.417 . . . . 52.12 112.101 -174.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 85.0 t60 -144.91 152.54 40.39 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-O 120.884 0.373 . . . . 63.01 111.387 -179.12 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 60.1 m80 -124.87 138.57 54.25 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 122.656 0.382 . . . . 71.53 110.831 176.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 65.78 177.17 0.21 Allowed 'General case' 0 N--CA 1.476 0.863 0 N-CA-C 110.673 -0.121 . . . . 53.53 110.673 176.111 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 32.8 p80 . . . . . 0 C--O 1.251 1.155 0 O-C-N 121.061 -1.024 . . . . 74.03 111.212 175.028 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 60.1 mtt . . . . . 0 N--CA 1.491 1.609 0 CA-C-O 120.687 0.28 . . . . 71.12 111.067 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 16.7 m-20 -127.14 77.86 1.77 Allowed 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.013 0.435 . . . . 73.43 111.777 -178.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 96.1 mt -114.57 -34.9 5.06 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 121.018 0.437 . . . . 74.11 111.547 175.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 13.8 m120 -78.05 11.55 2.22 Favored 'General case' 0 CA--C 1.542 0.664 0 N-CA-C 112.912 0.708 . . . . 64.34 112.912 -173.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -123.1 11.79 9.53 Favored 'General case' 0 N--CA 1.475 0.821 0 CA-C-O 120.801 0.334 . . . . 70.21 111.753 175.473 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 24.0 mmt -74.79 162.65 28.48 Favored 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.032 0.444 . . . . 75.25 111.469 178.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.88 11.0 1.12 Allowed Glycine 0 CA--C 1.527 0.79 0 C-N-CA 121.183 -0.532 . . . . 74.41 113.202 -178.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -87.45 110.67 20.46 Favored 'General case' 0 CA--C 1.537 0.458 0 N-CA-C 109.463 -0.569 . . . . 71.14 109.463 176.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 39.7 m-20 -79.61 174.58 11.44 Favored 'General case' 0 N--CA 1.47 0.556 0 N-CA-C 113.418 0.896 . . . . 71.43 113.418 -172.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -121.4 161.4 22.22 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 115.159 -0.928 . . . . 74.32 111.191 -177.462 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 79.6 m-85 -140.88 120.95 13.72 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.516 -0.311 . . . . 73.44 111.13 173.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 84.3 m-85 -76.26 100.37 5.06 Favored 'General case' 0 CA--C 1.532 0.269 0 CA-C-O 121.406 0.622 . . . . 71.35 110.704 175.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.53 HG11 HD13 ' A' ' 39' ' ' LEU . 12.2 m -90.94 172.35 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-N 115.467 -0.788 . . . . 61.4 110.818 177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -129.37 127.03 40.2 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-N 115.911 -0.586 . . . . 74.34 109.697 176.718 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.416 HD11 HD13 ' A' ' 65' ' ' LEU . 44.4 mm -63.97 89.93 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.477 0 CA-C-O 121.216 0.532 . . . . 63.53 111.693 -175.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 75.0 p -80.32 -63.97 1.29 Allowed 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 115.595 -0.729 . . . . 65.34 111.308 176.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.4 m -90.62 122.71 42.28 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.627 0 CA-C-O 121.343 0.592 . . . . 72.13 111.674 179.39 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 13.1 p-10 -130.29 163.01 27.71 Favored 'General case' 0 CA--C 1.541 0.62 0 CA-C-N 116.227 -0.442 . . . . 75.34 111.04 179.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.03 8.58 50.28 Favored Glycine 0 CA--C 1.532 1.13 0 C-N-CA 120.98 -0.629 . . . . 34.44 114.045 178.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.686 ' HD2' ' HB3' ' A' ' 36' ' ' GLU . 1.4 tmtp? -77.37 111.46 13.07 Favored 'General case' 0 CA--C 1.538 0.506 0 O-C-N 122.475 -0.426 . . . . 62.32 110.493 -178.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -90.63 147.12 23.51 Favored 'General case' 0 N--CA 1.471 0.607 0 CA-C-O 121.177 0.513 . . . . 73.22 111.895 179.591 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.1 m -126.36 106.99 16.56 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.381 0 CA-C-O 121.78 0.8 . . . . 72.3 111.464 178.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 9.2 t60 -70.41 43.27 0.06 Allowed 'General case' 0 CA--C 1.552 1.058 0 CA-C-N 115.143 -0.935 . . . . 73.2 111.204 173.504 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 40.3 t -86.06 -3.71 59.01 Favored 'General case' 0 N--CA 1.476 0.828 0 N-CA-C 112.532 0.568 . . . . 62.53 112.532 -173.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.8 mtmm -134.61 80.41 1.85 Allowed 'General case' 0 N--CA 1.464 0.227 0 CA-C-O 121.685 0.755 . . . . 72.25 111.143 179.342 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -130.09 76.01 1.69 Allowed 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.145 -0.934 . . . . 65.34 110.047 168.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -62.29 -61.91 2.13 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 116.191 -0.459 . . . . 52.13 111.88 -174.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -153.79 79.21 1.14 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.363 0.601 . . . . 72.02 110.25 175.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 133.78 60.1 0.07 OUTLIER Glycine 0 CA--C 1.523 0.552 0 CA-C-N 115.588 -0.733 . . . . 64.4 112.221 -176.467 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.2 pm0 -42.21 100.21 0.02 OUTLIER 'General case' 0 CA--C 1.545 0.754 0 CA-C-O 121.608 0.718 . . . . 75.42 112.452 178.696 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 ttmt -142.15 2.84 1.53 Allowed 'General case' 0 CA--C 1.544 0.741 0 CA-C-N 115.707 -0.679 . . . . 73.11 111.582 -174.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 1.6 p90 -151.88 141.99 22.24 Favored 'General case' 0 CA--C 1.542 0.659 0 N-CA-C 112.092 0.404 . . . . 72.42 112.092 -173.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' NZ ' ' HB2' ' A' ' 33' ' ' LYS . 10.2 mtmp? -138.67 147.25 42.59 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 122.923 0.489 . . . . 74.24 111.085 179.408 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -103.05 171.72 7.22 Favored 'General case' 0 N--CA 1.47 0.572 0 CA-C-O 121.125 0.488 . . . . 64.32 111.229 176.377 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 96.4 m-85 -110.5 148.62 31.73 Favored 'General case' 0 N--CA 1.468 0.475 0 CA-C-N 116.232 -0.44 . . . . 75.42 110.017 172.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.686 ' HB3' ' HD2' ' A' ' 20' ' ' LYS . 40.0 tt0 -129.67 146.58 51.44 Favored 'General case' 0 N--CA 1.471 0.612 0 N-CA-C 112.384 0.513 . . . . 71.44 112.384 -172.545 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 87.0 m-85 -129.57 109.8 11.31 Favored 'General case' 0 CA--C 1.539 0.53 0 CA-C-N 116.076 -0.511 . . . . 72.34 111.949 179.353 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 83.9 tttt -103.1 107.43 18.24 Favored 'General case' 0 N--CA 1.469 0.497 0 N-CA-C 109.416 -0.587 . . . . 72.2 109.416 171.542 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.53 HD13 HG11 ' A' ' 13' ' ' VAL . 0.4 OUTLIER -143.66 152.03 40.83 Favored 'General case' 0 N--CA 1.469 0.486 0 N-CA-C 113.187 0.81 . . . . 73.02 113.187 -170.321 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.456 ' OG1' ' HG2' ' A' ' 50' ' ' GLU . 83.2 m -100.85 133.01 45.95 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 115.716 -0.674 . . . . 62.34 111.414 178.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.482 ' CA ' HG12 ' A' ' 13' ' ' VAL . . . -113.61 145.37 18.38 Favored Glycine 0 CA--C 1.522 0.497 0 C-N-CA 121.246 -0.502 . . . . 61.04 113.201 178.221 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 87.7 m-85 -118.99 124.59 47.36 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 122.33 0.252 . . . . 70.12 111.083 179.667 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -155.38 -178.34 7.2 Favored 'General case' 0 CA--C 1.545 0.759 0 CA-C-O 120.838 0.351 . . . . 74.32 110.881 179.609 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 10.6 tmtt? 70.68 -79.01 0.04 OUTLIER 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 123.499 0.719 . . . . 73.53 111.316 177.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 31.9 t70 -159.24 69.5 0.45 Allowed 'General case' 0 CA--C 1.537 0.459 0 CA-C-O 121.45 0.643 . . . . 61.03 110.605 178.698 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 64.16 39.19 96.91 Favored Glycine 0 CA--C 1.526 0.724 0 CA-C-N 115.706 -0.679 . . . . 75.12 112.529 -178.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -111.8 129.76 56.03 Favored 'General case' 0 N--CA 1.466 0.341 0 C-N-CA 122.499 0.319 . . . . 75.55 110.533 -178.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.458 ' HA ' ' O ' ' A' ' 41' ' ' GLY . 0.3 OUTLIER -103.82 157.16 17.27 Favored 'General case' 0 CA--C 1.535 0.401 0 CA-C-O 121.633 0.73 . . . . 72.21 112.267 -175.497 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -157.28 131.42 8.33 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.374 -0.83 . . . . 71.03 110.485 172.317 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.456 ' HG2' ' OG1' ' A' ' 40' ' ' THR . 44.2 mt-10 -90.55 114.32 26.52 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-O 120.72 0.295 . . . . 74.43 111.357 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.41 ' N ' HD22 ' A' ' 51' ' ' LEU . 2.9 mm? -102.66 153.15 20.4 Favored 'General case' 0 N--CA 1.469 0.491 0 CA-C-O 121.086 0.469 . . . . 63.33 111.364 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 10.8 pt-20 -128.59 124.38 35.75 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.022 -0.535 . . . . 64.42 111.029 177.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 52.5 p90 -151.28 159.55 44.28 Favored 'General case' 0 N--CA 1.47 0.54 0 CA-C-O 120.968 0.413 . . . . 71.4 111.336 176.222 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 46.1 p -115.06 151.06 34.93 Favored 'General case' 0 N--CA 1.47 0.565 0 CA-C-O 121.019 0.438 . . . . 70.5 111.405 179.345 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -132.36 156.32 46.85 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-O 120.994 0.426 . . . . 62.33 111.693 -177.831 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 -65.98 -33.93 76.95 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 116.163 -0.472 . . . . 74.45 111.696 179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.1 mtpt -138.35 172.95 12.14 Favored 'General case' 0 N--CA 1.468 0.444 0 CA-C-N 116.001 -0.545 . . . . 71.41 111.265 -176.75 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 66.7 t30 -79.06 106.7 11.28 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 109.585 -0.524 . . . . 75.12 109.585 174.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 56.9 mt -57.94 -80.61 0.02 OUTLIER 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 112.58 0.585 . . . . 74.43 112.58 -173.078 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.6 tmm_? -177.09 115.67 0.1 Allowed 'General case' 0 CA--C 1.541 0.617 0 CA-C-O 120.866 0.365 . . . . 55.31 110.584 179.442 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -74.92 158.3 33.56 Favored 'General case' 0 N--CA 1.473 0.714 0 N-CA-C 113.282 0.845 . . . . 70.03 113.282 -172.429 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 70.82 0.51 3.37 Favored 'General case' 0 N--CA 1.478 0.939 0 N-CA-C 113.732 1.012 . . . . 71.22 113.732 172.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -100.29 172.66 7.02 Favored 'General case' 0 N--CA 1.469 0.518 0 CA-C-O 120.982 0.42 . . . . 63.13 111.698 178.64 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -93.06 159.62 15.22 Favored 'General case' 0 CA--C 1.533 0.315 0 CA-C-O 121.091 0.472 . . . . 74.44 110.859 178.38 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.888 HD21 ' HB2' ' A' ' 78' ' ' TRP . 6.6 tt -156.79 125.77 5.94 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.003 0.43 . . . . 73.44 111.072 -175.159 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.1 ttm180 -80.75 105.98 12.4 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.79 0.329 . . . . 71.15 111.064 177.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 89.2 t -92.5 129.25 43.36 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.091 0.472 . . . . 71.43 110.84 175.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 17.8 t80 -89.27 111.53 22.37 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 115.84 -0.618 . . . . 75.33 111.302 -175.759 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.52 ' HA ' ' O ' ' A' ' 74' ' ' GLY . 50.9 t-80 -99.16 121.35 40.9 Favored 'General case' 0 CA--C 1.542 0.637 0 N-CA-C 112.599 0.592 . . . . 65.21 112.599 -172.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.4 m -110.26 165.79 11.49 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-N 116.097 -0.501 . . . . 73.11 111.318 175.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -55.3 -72.61 0.07 Allowed 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.039 0.755 . . . . 74.43 113.039 -175.706 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 64.7 pttt -95.81 -28.47 14.72 Favored 'General case' 0 N--CA 1.47 0.539 0 O-C-N 122.04 -0.412 . . . . 75.41 112.023 -175.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 25.1 ttmm -70.49 -23.59 62.7 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 121.1 0.476 . . . . 74.44 111.928 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.52 ' O ' ' HA ' ' A' ' 69' ' ' HIS . . . 77.28 -70.85 2.34 Favored Glycine 0 CA--C 1.525 0.714 0 C-N-CA 120.846 -0.692 . . . . 62.11 112.458 -175.581 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.425 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 82.1 t -129.81 118.15 43.76 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 CA-C-O 121.185 0.517 . . . . 55.41 112.043 -179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 59.5 m -88.26 -40.02 13.97 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 116.086 -0.507 . . . . 71.03 111.61 178.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.38 -179.99 7.83 Favored 'General case' 0 N--CA 1.468 0.434 0 CA-C-N 116.307 -0.406 . . . . 53.44 110.902 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.888 ' HB2' HD21 ' A' ' 65' ' ' LEU . 37.8 p-90 -155.38 145.12 21.36 Favored 'General case' 0 CA--C 1.541 0.602 0 CA-C-O 120.943 0.401 . . . . 74.43 111.984 -179.788 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -125.06 139.69 53.56 Favored 'General case' 0 N--CA 1.474 0.745 0 CA-C-N 116.269 -0.423 . . . . 75.3 110.768 177.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -99.22 128.79 45.4 Favored 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 120.775 0.322 . . . . 71.31 110.647 -176.794 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.6 m -136.1 141.7 40.87 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.615 0 CA-C-O 121.395 0.617 . . . . 75.51 112.317 -173.208 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 57.3 mtpt -77.26 160.58 28.78 Favored 'General case' 0 CA--C 1.534 0.343 0 CA-C-O 121.238 0.542 . . . . 72.52 111.58 176.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.431 ' HE3' ' HB3' ' A' ' 83' ' ' LYS . 0.7 OUTLIER -58.56 -41.87 86.65 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-N 115.886 -0.597 . . . . 74.52 110.7 176.769 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 -66.55 -18.05 65.15 Favored 'General case' 0 CA--C 1.544 0.715 0 N-CA-C 112.366 0.506 . . . . 74.12 112.366 -179.233 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -82.67 -7.81 59.63 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.663 0.268 . . . . 71.51 111.59 178.668 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 82.9 mt -101.75 140.07 20.9 Favored Pre-proline 0 CA--C 1.539 0.52 0 CA-C-N 116.836 -0.166 . . . . 55.24 111.12 178.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.449 ' O ' HG22 ' A' ' 90' ' ' VAL . 42.9 Cg_endo -66.93 144.81 71.93 Favored 'Trans proline' 0 CA--C 1.541 0.842 0 C-N-CA 122.425 2.083 . . . . 72.34 112.548 178.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.64 -24.93 3.65 Favored 'General case' 0 N--CA 1.476 0.867 0 N-CA-C 113.188 0.811 . . . . 74.51 113.188 -176.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.458 ' HD2' ' N ' ' A' ' 89' ' ' LYS . 7.9 mptt -57.14 -26.79 61.12 Favored 'General case' 0 N--CA 1.474 0.726 0 N-CA-C 112.383 0.512 . . . . 75.13 112.383 -179.056 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.449 HG22 ' O ' ' A' ' 87' ' ' PRO . 18.7 m -68.93 -27.39 35.41 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.582 0 CA-C-O 120.97 0.414 . . . . 73.11 111.089 176.748 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 tttp -94.65 -37.05 11.51 Favored 'General case' 0 CA--C 1.54 0.574 0 CA-C-N 116.192 -0.458 . . . . 75.31 111.357 179.769 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -63.15 -21.13 66.0 Favored 'General case' 0 CA--C 1.543 0.682 0 N-CA-C 112.067 0.395 . . . . 74.42 112.067 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 55.1 mtpt -105.38 -12.37 16.06 Favored 'General case' 0 N--CA 1.473 0.681 0 N-CA-C 112.185 0.439 . . . . 71.43 112.185 177.026 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 97.0 mt -130.62 119.85 23.1 Favored 'General case' 0 N--CA 1.475 0.808 0 CA-C-O 121.151 0.5 . . . . 74.34 111.974 -176.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.6 8.63 30.19 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 121.296 -0.478 . . . . 75.23 113.53 177.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 20.8 t -109.43 127.13 66.42 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 O-C-N 122.483 -0.422 . . . . 74.0 110.651 177.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.611 ' O ' ' HD2' ' A' ' 97' ' ' LYS . 0.0 OUTLIER -112.17 122.69 48.46 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-O 120.809 0.337 . . . . 61.44 111.563 -176.865 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.557 ' HG ' ' H ' ' A' ' 99' ' ' GLU . 24.7 tp 54.76 -178.78 0.03 OUTLIER 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 116.357 -0.383 . . . . 71.21 111.081 -178.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.557 ' H ' ' HG ' ' A' ' 98' ' ' LEU . 33.9 tt0 54.54 77.97 0.18 Allowed 'General case' 0 CA--C 1.541 0.602 0 N-CA-C 112.634 0.605 . . . . 44.32 112.634 170.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 82.9 m-70 -84.28 104.14 14.06 Favored 'General case' 0 CA--C 1.538 0.513 0 N-CA-C 109.855 -0.424 . . . . 71.3 109.855 176.148 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 13.1 m170 -57.53 113.25 1.71 Allowed 'General case' 0 N--CA 1.474 0.768 0 N-CA-C 113.009 0.744 . . . . 53.25 113.009 -171.338 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 65.3 m80 -76.65 88.8 3.33 Favored 'General case' 0 CA--C 1.537 0.471 0 CA-C-N 116.092 -0.504 . . . . 61.31 111.779 176.539 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 54.8 t-80 -79.63 100.42 7.82 Favored 'General case' 0 CA--C 1.537 0.456 0 N-CA-C 109.6 -0.519 . . . . 74.11 109.6 171.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.86 175.63 7.38 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 121.245 0.545 . . . . 74.32 112.27 -173.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 34.9 m-70 . . . . . 0 C--O 1.25 1.097 0 CA-C-N 115.575 -0.739 . . . . 75.31 110.42 174.1 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.8 ptm . . . . . 0 N--CA 1.49 1.536 0 CA-C-O 120.628 0.251 . . . . 74.23 111.628 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 23.3 t70 -137.47 132.04 32.77 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-O 120.776 0.322 . . . . 72.2 111.385 175.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.5 ' H ' HD23 ' A' ' 3' ' ' LEU . 1.2 pt? -115.18 -12.15 11.92 Favored 'General case' 0 CA--C 1.54 0.558 0 CA-C-O 120.931 0.396 . . . . 55.01 111.263 175.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.427 ' HB2' ' NH1' ' A' ' 5' ' ' ARG . 42.5 m-80 -84.0 -46.41 12.07 Favored 'General case' 0 CA--C 1.539 0.557 0 N-CA-C 113.054 0.761 . . . . 73.04 113.054 -172.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . 0.536 ' HD2' ' N ' ' A' ' 5' ' ' ARG . 5.3 mpt_? -92.77 -77.83 0.43 Allowed 'General case' 0 N--CA 1.476 0.856 0 O-C-N 121.817 -0.552 . . . . 70.54 111.512 -176.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 69.2 mtm 38.36 -87.25 0.01 OUTLIER 'General case' 0 N--CA 1.478 0.949 0 N-CA-C 114.668 1.358 . . . . 75.44 114.668 -177.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.22 -2.48 55.79 Favored Glycine 0 CA--C 1.528 0.888 0 N-CA-C 115.092 0.797 . . . . 74.4 115.092 -168.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.48 127.25 34.35 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 117.753 0.777 . . . . 75.13 111.512 179.7 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -88.53 165.11 15.08 Favored 'General case' 0 CA--C 1.541 0.598 0 CA-C-N 115.945 -0.57 . . . . 72.55 112.13 -173.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.752 ' HG3' ' HD3' ' A' ' 66' ' ' ARG . 1.0 OUTLIER -100.61 126.92 47.14 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-O 121.227 0.537 . . . . 73.12 110.572 172.363 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . 0.437 ' CE1' ' HB3' ' A' ' 69' ' ' HIS . 1.7 m-85 -93.33 135.88 34.13 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 120.797 0.332 . . . . 73.44 111.686 -178.185 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.6 ' HE2' ' HG ' ' A' ' 98' ' ' LEU . 92.2 m-85 -84.17 109.68 17.93 Favored 'General case' 0 N--CA 1.467 0.402 0 CA-C-N 116.582 -0.281 . . . . 75.21 110.895 177.454 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' HA2' ' A' ' 41' ' ' GLY . 16.6 m -116.74 142.19 31.54 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.339 0 CA-C-O 121.267 0.556 . . . . 73.21 111.679 178.01 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 51.9 tt0 -106.38 127.84 53.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.601 -0.727 . . . . 70.41 110.542 177.345 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.645 HD11 HD12 ' A' ' 65' ' ' LEU . 49.2 mm -67.64 110.01 1.72 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.599 0 N-CA-C 112.347 0.499 . . . . 71.13 112.347 -177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.8 p -111.42 -66.64 1.06 Allowed 'General case' 0 N--CA 1.47 0.548 0 CA-C-N 115.873 -0.603 . . . . 41.42 111.591 178.256 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 27.5 m -90.58 124.77 43.32 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.662 0 CA-C-O 121.227 0.537 . . . . 72.42 112.035 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 11.1 p-10 -131.97 179.35 6.14 Favored 'General case' 0 CA--C 1.541 0.612 0 CA-C-O 121.077 0.465 . . . . 72.13 112.024 -179.566 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 70.58 8.34 62.95 Favored Glycine 0 CA--C 1.53 0.969 0 N-CA-C 115.113 0.805 . . . . 61.14 115.113 170.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 34.5 mmtp -83.02 94.51 7.79 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 117.866 0.833 . . . . 63.02 111.302 -179.253 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 pt-20 -76.18 131.51 39.39 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 121.266 0.555 . . . . 75.01 112.056 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.467 HG23 ' O ' ' A' ' 22' ' ' VAL . 30.3 m -86.56 81.14 1.87 Allowed 'Isoleucine or valine' 0 CA--C 1.543 0.675 0 CA-C-O 121.981 0.896 . . . . 64.2 110.802 175.12 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 80.9 t60 -112.08 26.21 10.82 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-N 115.401 -0.818 . . . . 65.13 110.831 -179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.5 t -48.78 -58.29 5.02 Favored 'General case' 0 N--CA 1.475 0.809 0 N-CA-C 113.061 0.763 . . . . 51.43 113.061 -170.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 62.4 tttp -176.74 77.43 0.02 OUTLIER 'General case' 0 N--CA 1.476 0.835 0 N-CA-C 112.256 0.465 . . . . 74.44 112.256 -177.673 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 39.0 50.69 1.79 Allowed 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 122.954 0.502 . . . . 44.45 112.254 176.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -60.64 -2.83 0.58 Allowed 'General case' 0 CA--C 1.549 0.909 0 N-CA-C 114.74 1.385 . . . . 72.32 114.74 -168.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 63.9 t30 -142.9 11.54 1.82 Allowed 'General case' 0 N--CA 1.474 0.74 0 O-C-N 121.755 -0.59 . . . . 75.31 111.665 176.129 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.55 -42.27 1.8 Allowed Glycine 0 CA--C 1.525 0.698 0 C-N-CA 121.318 -0.468 . . . . 54.24 113.448 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 10.8 pm0 -112.45 158.4 19.91 Favored 'General case' 0 N--CA 1.469 0.512 0 O-C-N 122.58 -0.365 . . . . 74.34 111.041 179.626 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -82.23 61.75 5.61 Favored 'General case' 0 CA--C 1.543 0.697 0 CA-C-O 121.72 0.771 . . . . 64.21 112.693 -179.419 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 26.6 p90 -84.33 163.52 19.53 Favored 'General case' 0 N--CA 1.47 0.547 0 CA-C-N 115.742 -0.663 . . . . 75.52 110.649 177.236 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 44.4 mtmt -143.68 113.57 7.18 Favored 'General case' 0 N--CA 1.471 0.599 0 N-CA-C 112.277 0.473 . . . . 73.54 112.277 179.628 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' HG22 ' A' ' 22' ' ' VAL . 77.3 m-20 -102.26 139.89 37.26 Favored 'General case' 0 CA--C 1.539 0.548 0 N-CA-C 110.188 -0.301 . . . . 45.41 110.188 169.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 69.1 m-85 -82.47 109.63 16.86 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-O 121.234 0.54 . . . . 63.44 110.809 177.126 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.493 ' HA ' ' HA ' ' A' ' 54' ' ' THR . 13.2 tt0 -83.69 132.01 34.9 Favored 'General case' 0 CA--C 1.539 0.547 0 N-CA-C 112.726 0.639 . . . . 74.01 112.726 -175.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.2 m-85 -107.92 98.96 8.47 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-N 115.965 -0.561 . . . . 73.45 110.16 170.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -99.32 105.44 17.43 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.114 0.483 . . . . 74.31 111.025 178.28 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -141.33 171.3 14.26 Favored 'General case' 0 CA--C 1.542 0.636 0 CA-C-O 121.079 0.466 . . . . 63.33 112.14 -175.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 89.4 m -96.21 125.63 40.86 Favored 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.847 0.356 . . . . 64.34 111.573 -179.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -100.99 134.4 11.68 Favored Glycine 0 CA--C 1.525 0.66 0 C-N-CA 121.466 -0.397 . . . . 74.24 112.622 177.078 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -90.31 142.6 27.57 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-O 121.241 0.544 . . . . 73.22 111.273 -178.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.809 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 19.8 t0 -127.96 132.16 49.24 Favored 'General case' 0 CA--C 1.545 0.778 0 CA-C-N 115.788 -0.642 . . . . 64.21 112.585 -166.21 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 66.7 mttm 47.54 -94.48 0.02 OUTLIER 'General case' 0 CA--C 1.546 0.812 0 N-CA-C 113.936 1.087 . . . . 70.2 113.936 175.689 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -108.8 20.27 18.68 Favored 'General case' 0 CA--C 1.541 0.63 0 N-CA-C 112.451 0.538 . . . . 54.43 112.451 -172.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 118.82 11.11 7.93 Favored Glycine 0 CA--C 1.526 0.731 0 C-N-CA 121.027 -0.606 . . . . 71.43 113.852 177.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.809 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 29.9 mmmt -69.61 160.94 30.62 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-N 116.881 0.34 . . . . 72.45 110.166 177.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -132.62 123.25 26.05 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 121.345 0.593 . . . . 64.43 112.474 -177.072 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 13.9 mptt -124.0 146.1 48.75 Favored 'General case' 0 N--CA 1.471 0.611 0 CA-C-N 115.923 -0.58 . . . . 74.24 110.187 172.74 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 mp0 -83.83 120.78 26.47 Favored 'General case' 0 CA--C 1.54 0.565 0 CA-C-O 120.928 0.394 . . . . 63.43 111.185 178.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -112.85 121.17 43.9 Favored 'General case' 0 CA--C 1.536 0.415 0 CA-C-N 116.282 -0.417 . . . . 64.21 110.87 177.421 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -126.85 117.94 23.6 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-O 120.94 0.4 . . . . 74.14 110.786 177.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.549 ' HB3' HG11 ' A' ' 75' ' ' VAL . 42.6 p90 -127.37 135.41 50.45 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-O 120.992 0.425 . . . . 64.13 111.551 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.493 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 58.0 p -94.8 109.74 21.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.112 0.482 . . . . 75.42 111.25 179.375 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.99 141.75 30.57 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-N 116.263 -0.426 . . . . 60.32 111.362 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 93.0 mt-30 -69.87 -3.95 18.14 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 112.248 0.462 . . . . 61.32 112.248 -177.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.6 ptmt -160.24 174.7 13.83 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-O 120.744 0.307 . . . . 72.53 111.034 -177.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 14.5 t-20 -85.0 131.46 34.46 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 120.76 0.314 . . . . 73.44 110.81 178.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -105.85 -176.24 3.02 Favored 'General case' 0 N--CA 1.475 0.782 0 CA-C-O 120.954 0.407 . . . . 72.53 112.091 -179.622 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.43 HH11 ' HD3' ' A' ' 60' ' ' ARG . 3.6 mpt_? -64.45 112.71 3.25 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-O 121.269 0.556 . . . . 74.4 111.943 -177.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 55.1 mtmt -85.78 155.63 20.94 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-N 116.044 -0.525 . . . . 71.0 111.474 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 45.7 mt-10 66.99 11.02 8.14 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 122.959 0.504 . . . . 75.42 111.573 -171.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -103.12 178.31 4.59 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-O 120.777 0.323 . . . . 51.21 111.173 178.674 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 64.1 m-85 -116.12 142.73 46.43 Favored 'General case' 0 CA--C 1.537 0.476 0 CA-C-O 121.36 0.6 . . . . 74.33 111.658 -177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.645 HD12 HD11 ' A' ' 15' ' ' ILE . 52.7 mt -125.15 130.52 52.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 71.52 111.328 178.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.752 ' HD3' ' HG3' ' A' ' 10' ' ' GLU . 50.9 mtt180 -82.89 93.67 7.55 Favored 'General case' 0 CA--C 1.534 0.331 0 N-CA-C 109.659 -0.497 . . . . 72.43 109.659 168.776 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 58.1 t -91.31 125.74 44.02 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.429 0 CA-C-O 121.488 0.661 . . . . 65.41 112.012 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 65.6 t80 -70.03 119.19 13.86 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 114.945 -1.025 . . . . 65.1 111.31 178.565 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.437 ' HB3' ' CE1' ' A' ' 11' ' ' TYR . 45.4 t-80 -112.12 118.26 34.88 Favored 'General case' 0 N--CA 1.468 0.428 0 CA-C-O 121.118 0.485 . . . . 54.4 112.087 -178.197 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 42.5 m -97.65 -167.48 1.53 Allowed 'General case' 0 N--CA 1.471 0.606 0 CA-C-N 116.077 -0.51 . . . . 64.5 111.116 176.523 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -47.9 -59.33 3.42 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 112.913 0.709 . . . . 51.41 112.913 178.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.57 ' HG3' ' H ' ' A' ' 73' ' ' LYS . 49.0 pttt -82.87 -62.2 1.66 Allowed 'General case' 0 CA--C 1.544 0.743 0 CA-C-O 120.887 0.375 . . . . 71.24 111.26 176.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.57 ' H ' ' HG3' ' A' ' 72' ' ' LYS . 31.6 mtmm -154.67 -50.72 0.09 Allowed 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 123.176 0.59 . . . . 71.11 110.224 175.582 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.88 -78.67 1.36 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 121.173 -0.537 . . . . 72.55 113.135 177.344 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.549 HG11 ' HB3' ' A' ' 53' ' ' PHE . 14.2 t 53.2 35.53 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.818 0 CA-C-O 121.65 0.738 . . . . 65.34 111.273 -179.697 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 64.0 m -58.85 -23.76 61.19 Favored 'General case' 0 N--CA 1.474 0.756 0 CA-C-N 116.012 -0.54 . . . . 74.44 112.032 179.509 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -164.02 130.35 3.11 Favored 'General case' 0 CA--C 1.536 0.422 0 N-CA-C 111.916 0.339 . . . . 74.04 111.916 179.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . . . . . . . . . 37.6 p-90 -120.11 128.93 53.91 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 116.376 -0.374 . . . . 73.54 110.062 170.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -117.66 141.0 48.89 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 121.217 0.532 . . . . 71.34 111.902 -177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.542 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.6 tt0 -81.34 97.04 7.51 Favored 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.652 -0.704 . . . . 71.4 112.273 -173.609 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 30.1 m -105.03 142.96 17.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 CA-C-O 121.316 0.579 . . . . 65.15 111.256 179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 3.3 mppt? -114.83 172.19 7.19 Favored 'General case' 0 CA--C 1.537 0.48 0 CA-C-O 121.266 0.555 . . . . 73.1 111.457 179.258 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.48 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.2 OUTLIER -54.38 -10.02 0.35 Allowed 'General case' 0 CA--C 1.548 0.874 0 N-CA-C 114.118 1.155 . . . . 65.03 114.118 -176.891 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -56.56 -40.73 75.69 Favored 'General case' 0 CA--C 1.545 0.776 0 N-CA-C 112.495 0.554 . . . . 62.32 112.495 -179.581 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -98.31 -0.24 44.25 Favored 'General case' 0 N--CA 1.475 0.821 0 N-CA-C 112.786 0.661 . . . . 73.2 112.786 -175.678 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.4 mt -86.2 124.25 70.46 Favored Pre-proline 0 CA--C 1.541 0.609 0 N-CA-C 111.854 0.316 . . . . 74.04 111.854 -176.444 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.63 ' O ' HG12 ' A' ' 90' ' ' VAL . 36.2 Cg_endo -65.43 126.41 16.18 Favored 'Trans proline' 0 CA--C 1.539 0.769 0 C-N-CA 122.346 2.031 . . . . 71.03 112.448 177.118 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -42.81 -41.63 3.3 Favored 'General case' 0 N--CA 1.476 0.854 0 N-CA-C 113.312 0.856 . . . . 52.44 113.312 -176.081 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.452 ' O ' ' HB3' ' A' ' 93' ' ' LYS . 93.6 mttt -61.89 -35.26 77.83 Favored 'General case' 0 CA--C 1.543 0.689 0 N-CA-C 112.725 0.639 . . . . 73.14 112.725 -177.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.63 HG12 ' O ' ' A' ' 87' ' ' PRO . 4.2 p -65.49 -21.03 28.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.694 0 O-C-N 121.912 -0.492 . . . . 64.11 111.139 -178.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 62.9 tttp -99.51 -57.47 2.14 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.178 -0.465 . . . . 51.32 111.405 179.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -64.41 -37.97 89.4 Favored 'General case' 0 N--CA 1.473 0.7 0 N-CA-C 112.237 0.458 . . . . 72.53 112.237 -178.263 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.452 ' HB3' ' O ' ' A' ' 89' ' ' LYS . 24.0 tptm -92.89 -40.73 10.45 Favored 'General case' 0 N--CA 1.472 0.652 0 CA-C-O 120.649 0.261 . . . . 74.51 110.688 177.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.474 HD23 ' N ' ' A' ' 95' ' ' GLY . 7.0 tt 71.25 131.87 0.03 OUTLIER 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 123.217 0.607 . . . . 73.22 112.059 176.661 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.474 ' N ' HD23 ' A' ' 94' ' ' LEU . . . 78.13 37.93 27.44 Favored Glycine 0 CA--C 1.526 0.767 0 CA-C-N 116.017 -0.538 . . . . 62.11 114.219 174.579 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.555 HG22 ' HA ' ' A' ' 90' ' ' VAL . 19.7 m -108.05 146.08 14.42 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.401 0 O-C-N 122.587 -0.36 . . . . 62.22 110.544 175.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 20.6 ptmt -61.78 113.24 2.64 Favored 'General case' 0 CA--C 1.536 0.433 0 CA-C-O 121.084 0.468 . . . . 71.53 111.388 179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.6 ' HG ' ' HE2' ' A' ' 12' ' ' TYR . 0.0 OUTLIER -62.86 120.39 11.22 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-N 116.23 -0.441 . . . . 64.03 110.219 175.042 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -174.65 94.3 0.08 Allowed 'General case' 0 CA--C 1.535 0.369 0 CA-C-O 121.023 0.44 . . . . 53.15 111.941 -174.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 66.6 m80 -92.4 -23.37 19.22 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 109.733 -0.469 . . . . 75.21 109.733 164.54 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 85.2 t60 68.79 -62.87 0.38 Allowed 'General case' 0 N--CA 1.477 0.88 0 C-N-CA 123.771 0.828 . . . . 65.34 112.982 173.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 6.6 t60 -49.33 104.89 0.07 Allowed 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 122.987 0.515 . . . . 70.03 111.722 -179.693 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 7.2 m170 -140.14 19.42 2.44 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 112.025 0.38 . . . . 74.45 112.025 179.169 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 20.7 p-80 -143.02 96.13 2.88 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.075 0.464 . . . . 53.53 111.622 176.299 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 87.1 m-70 . . . . . 0 C--O 1.251 1.154 0 CA-C-O 118.552 -0.737 . . . . 63.45 112.518 179.257 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.1 ttt . . . . . 0 N--CA 1.486 1.336 0 CA-C-O 120.885 0.374 . . . . 73.05 111.403 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -144.97 147.84 33.12 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 116.073 -0.512 . . . . 73.12 110.468 176.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.1 pp -98.24 0.2 45.27 Favored 'General case' 0 CA--C 1.539 0.543 0 CA-C-O 121.018 0.437 . . . . 62.44 111.801 177.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 -76.31 -55.26 5.73 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-O 120.984 0.421 . . . . 62.13 111.339 -178.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 84.9 mtt-85 -99.97 -49.12 4.43 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.517 -0.31 . . . . 62.14 111.47 -179.324 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 86.3 mtp 58.55 -168.1 0.14 Allowed 'General case' 0 N--CA 1.476 0.873 0 N-CA-C 112.748 0.647 . . . . 74.11 112.748 178.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 173.53 117.97 0.48 Allowed Glycine 0 CA--C 1.527 0.826 0 CA-C-N 116.041 -0.527 . . . . 62.11 112.569 178.551 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 33.3 mmtp -93.88 82.79 4.28 Favored 'General case' 0 N--CA 1.469 0.49 0 CA-C-O 121.267 0.556 . . . . 72.14 111.368 179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 14.7 m-20 -75.1 145.48 42.22 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 121.452 0.644 . . . . 73.41 112.121 -178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -125.21 129.22 49.65 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 115.625 -0.716 . . . . 64.42 110.221 178.343 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 70.2 m-85 -107.08 143.58 35.0 Favored 'General case' 0 N--CA 1.471 0.602 0 CA-C-O 121.102 0.477 . . . . 54.22 112.012 -172.158 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 41.0 m-85 -99.72 100.29 11.24 Favored 'General case' 0 N--CA 1.467 0.392 0 CA-C-O 121.075 0.464 . . . . 61.41 110.863 174.17 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.454 HG12 ' HA2' ' A' ' 41' ' ' GLY . 33.1 m -98.36 -179.5 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 116.203 -0.453 . . . . 45.25 110.758 177.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.405 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.2 pt20 -133.47 145.46 50.24 Favored 'General case' 0 N--CA 1.47 0.541 0 CA-C-O 120.941 0.401 . . . . 75.52 111.228 176.592 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.702 HD11 HD12 ' A' ' 65' ' ' LEU . 43.5 mm -88.48 95.77 5.52 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.508 0 CA-C-O 121.103 0.478 . . . . 74.11 111.75 -178.326 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 80.0 p -97.19 -61.53 1.39 Allowed 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.128 -0.487 . . . . 61.41 111.111 175.428 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.0 m -90.44 127.02 43.2 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.634 0 CA-C-O 121.284 0.564 . . . . 62.31 112.169 179.581 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -131.63 -173.73 3.21 Favored 'General case' 0 CA--C 1.543 0.689 0 CA-C-N 115.871 -0.604 . . . . 55.13 111.347 -178.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.415 ' HA2' ' HD2' ' A' ' 35' ' ' TYR . . . 72.37 8.8 71.72 Favored Glycine 0 CA--C 1.531 1.048 0 N-CA-C 115.091 0.796 . . . . 55.24 115.091 175.463 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HB2' ' O ' ' A' ' 36' ' ' GLU . 74.3 mmtt -73.45 71.25 1.3 Allowed 'General case' 0 N--CA 1.47 0.557 0 CA-C-N 117.823 0.811 . . . . 61.44 111.213 178.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.432 ' HA ' ' O ' ' A' ' 34' ' ' ASP . 50.8 mt-10 -70.37 124.73 24.9 Favored 'General case' 0 N--CA 1.469 0.482 0 CA-C-O 120.949 0.404 . . . . 73.43 111.773 -177.497 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 23.2 m -78.04 58.56 0.11 Allowed 'Isoleucine or valine' 0 CA--C 1.544 0.737 0 CA-C-O 121.851 0.834 . . . . 70.24 111.251 176.75 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 51.4 t-80 -98.1 38.15 1.35 Allowed 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 115.667 -0.697 . . . . 75.02 111.235 -175.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.2 t -68.56 78.06 0.28 Allowed 'General case' 0 N--CA 1.475 0.811 0 N-CA-C 112.192 0.441 . . . . 52.24 112.192 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 83.2 tttt 55.49 17.03 2.05 Favored 'General case' 0 CA--C 1.551 1.011 0 N-CA-C 112.925 0.713 . . . . 55.01 112.925 172.392 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 61.35 32.89 19.09 Favored 'General case' 0 N--CA 1.474 0.754 0 CA-C-O 121.046 0.451 . . . . 62.32 111.466 -178.268 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.496 ' O ' ' HB2' ' A' ' 28' ' ' ASN . 24.4 t70 -59.33 92.29 0.02 OUTLIER 'General case' 0 CA--C 1.544 0.728 0 CA-C-N 115.955 -0.566 . . . . 71.25 111.907 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . 0.496 ' HB2' ' O ' ' A' ' 27' ' ' ASP . 49.6 t30 163.24 -45.62 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.919 0 C-N-CA 124.224 1.01 . . . . 71.21 109.934 -179.232 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 136.2 -40.76 1.49 Allowed Glycine 0 CA--C 1.523 0.566 0 CA-C-N 115.133 -0.94 . . . . 55.44 111.249 -173.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 50.9 tp60 -89.89 136.38 33.08 Favored 'General case' 0 CA--C 1.537 0.477 0 CA-C-O 120.885 0.374 . . . . 72.43 110.443 173.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 48.1 mtpt -77.09 92.21 3.75 Favored 'General case' 0 CA--C 1.539 0.554 0 CA-C-O 120.964 0.411 . . . . 75.44 111.73 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 93.6 m-85 -71.38 146.82 48.52 Favored 'General case' 0 N--CA 1.471 0.602 0 N-CA-C 112.193 0.442 . . . . 51.31 112.193 178.472 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -165.33 59.37 0.12 Allowed 'General case' 0 CA--C 1.535 0.385 0 CA-C-O 121.69 0.757 . . . . 74.4 110.272 173.754 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.432 ' O ' ' HA ' ' A' ' 21' ' ' GLU . 3.8 m-20 -112.27 148.38 34.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.265 -0.88 . . . . 70.14 110.984 -176.729 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.415 ' HD2' ' HA2' ' A' ' 19' ' ' GLY . 37.9 m-85 -84.93 108.96 17.81 Favored 'General case' 0 CA--C 1.538 0.493 0 CA-C-O 121.154 0.502 . . . . 73.11 112.009 -173.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' O ' ' HB2' ' A' ' 20' ' ' LYS . 43.9 tt0 -87.89 150.65 23.37 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.962 -0.563 . . . . 52.52 111.665 -178.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.522 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 80.6 m-85 -129.42 113.59 15.11 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 116.446 -0.343 . . . . 74.45 111.797 179.102 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -95.24 97.6 10.0 Favored 'General case' 0 N--CA 1.474 0.733 0 N-CA-C 110.014 -0.365 . . . . 71.3 110.014 172.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.5 mt -111.86 147.76 35.09 Favored 'General case' 0 CA--C 1.54 0.583 0 CA-C-O 121.128 0.489 . . . . 45.51 112.267 -170.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 95.8 m -102.47 122.23 43.92 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 120.756 0.312 . . . . 75.11 110.92 175.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.454 ' HA2' HG12 ' A' ' 13' ' ' VAL . . . -104.24 146.73 16.33 Favored Glycine 0 CA--C 1.521 0.441 0 C-N-CA 121.354 -0.451 . . . . 75.22 112.897 179.684 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 90.7 m-85 -111.94 124.48 52.47 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.18 0.514 . . . . 74.2 111.347 -179.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.426 ' HB3' ' H ' ' A' ' 47' ' ' LYS . 28.0 t70 -69.72 154.87 41.38 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.871 -0.604 . . . . 70.22 111.979 -178.643 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 41.9 mtmt -62.91 -13.94 40.55 Favored 'General case' 0 N--CA 1.474 0.729 0 N-CA-C 112.937 0.718 . . . . 74.15 112.937 -176.833 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -102.01 -11.16 19.13 Favored 'General case' 0 CA--C 1.546 0.815 0 CA-C-O 121.051 0.453 . . . . 75.35 111.132 176.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 105.81 45.94 1.24 Allowed Glycine 0 CA--C 1.531 1.052 0 C-N-CA 121.371 -0.442 . . . . 62.34 113.817 178.435 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.426 ' H ' ' HB3' ' A' ' 43' ' ' ASP . 56.3 mttp -119.75 168.04 11.47 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.954 0.377 . . . . 75.31 110.924 178.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 45.4 mt-10 -100.55 145.06 28.79 Favored 'General case' 0 N--CA 1.473 0.717 0 CA-C-O 120.941 0.401 . . . . 74.01 111.798 177.728 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.8 tptt -139.54 141.54 37.26 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-N 116.339 -0.391 . . . . 53.42 110.465 176.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.487 ' O ' ' HA2' ' A' ' 74' ' ' GLY . 44.9 tt0 -90.32 116.21 28.1 Favored 'General case' 0 N--CA 1.474 0.735 0 N-CA-C 112.046 0.387 . . . . 74.21 112.046 -178.436 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.574 ' HG ' HG21 ' A' ' 67' ' ' VAL . 2.8 mm? -110.19 141.94 42.42 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 122.582 0.353 . . . . 71.32 111.046 177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.522 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 0.1 OUTLIER -159.44 140.05 12.3 Favored 'General case' 0 N--CA 1.468 0.455 0 O-C-N 122.084 -0.385 . . . . 53.42 111.223 175.4 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 47.4 p90 -161.34 155.28 22.26 Favored 'General case' 0 N--CA 1.47 0.568 0 CA-C-O 120.858 0.361 . . . . 74.43 111.41 176.402 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.407 ' HA ' ' HA ' ' A' ' 36' ' ' GLU . 50.4 p -104.64 121.38 43.43 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 116.482 -0.326 . . . . 74.54 111.588 176.532 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -111.91 149.11 32.35 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 122.737 0.415 . . . . 71.11 110.744 177.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 34.7 tt0 -74.46 -14.58 60.85 Favored 'General case' 0 CA--C 1.544 0.741 0 CA-C-O 120.969 0.414 . . . . 64.01 112.046 -176.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.7 ttpm? -148.36 152.34 36.87 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 116.661 -0.245 . . . . 73.04 110.814 179.373 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' HA ' ' OH ' ' A' ' 37' ' ' TYR . 78.1 m-20 -60.16 144.55 49.65 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-O 120.911 0.386 . . . . 71.23 110.801 174.023 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 65.7 mt -85.69 -73.12 0.46 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 116.289 -0.414 . . . . 71.14 112.055 -176.146 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.671 ' HD2' ' HB2' ' A' ' 63' ' ' ALA . 12.4 ttm-85 -168.73 169.17 10.21 Favored 'General case' 0 CA--C 1.545 0.773 0 CA-C-O 120.626 0.25 . . . . 63.34 110.594 -178.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.7 ' HA ' ' HE3' ' A' ' 61' ' ' LYS . 0.0 OUTLIER -96.99 136.2 37.91 Favored 'General case' 0 N--CA 1.472 0.655 0 O-C-N 122.096 -0.377 . . . . 64.41 111.802 173.677 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 72.16 -21.15 0.23 Allowed 'General case' 0 N--CA 1.478 0.927 0 N-CA-C 113.394 0.887 . . . . 74.41 113.394 170.649 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.671 ' HB2' ' HD2' ' A' ' 60' ' ' ARG . . . -68.76 163.33 24.29 Favored 'General case' 0 N--CA 1.468 0.457 0 CA-C-O 121.175 0.512 . . . . 62.25 112.181 -177.781 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.405 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 85.3 m-85 -99.74 164.71 11.93 Favored 'General case' 0 CA--C 1.533 0.31 0 CA-C-O 121.357 0.598 . . . . 62.21 111.755 -175.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.722 HD21 ' HB2' ' A' ' 78' ' ' TRP . 2.0 tt -141.1 118.91 11.75 Favored 'General case' 0 CA--C 1.54 0.584 0 CA-C-O 121.174 0.511 . . . . 72.34 110.763 -175.736 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 39.0 ttt180 -82.74 95.69 7.94 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 115.841 -0.618 . . . . 60.32 110.937 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.574 HG21 ' HG ' ' A' ' 51' ' ' LEU . 31.2 m -95.65 142.79 13.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.6 0 CA-C-O 121.766 0.793 . . . . 64.44 112.28 -177.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 67.0 t80 -101.79 115.1 29.79 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-N 114.965 -1.016 . . . . 65.52 111.737 -177.143 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 22.1 t-80 -83.85 106.63 15.68 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 120.853 0.358 . . . . 53.21 111.275 178.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 91.8 p -87.7 -167.06 1.76 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-O 120.989 0.423 . . . . 42.45 111.655 -179.036 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -78.86 -11.02 59.98 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-O 121.026 0.441 . . . . 73.33 111.802 178.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -100.64 23.26 10.66 Favored 'General case' 0 CA--C 1.539 0.527 0 CA-C-N 116.393 -0.367 . . . . 64.41 111.747 -171.541 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.53 173.79 0.1 Allowed 'General case' 0 N--CA 1.473 0.701 0 CA-C-O 121.596 0.713 . . . . 73.21 112.879 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.487 ' HA2' ' O ' ' A' ' 50' ' ' GLU . . . 55.45 -86.08 0.01 OUTLIER Glycine 0 CA--C 1.529 0.918 0 CA-C-N 115.306 -0.861 . . . . 35.23 113.659 -176.36 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.483 HG22 ' N ' ' A' ' 76' ' ' SER . 13.5 p 179.88 165.96 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 CA-C-N 116.892 0.346 . . . . 73.13 110.709 -174.196 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.483 ' N ' HG22 ' A' ' 75' ' ' VAL . 50.5 m -138.12 -57.45 0.66 Allowed 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 120.889 0.376 . . . . 71.2 110.87 174.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -101.21 150.32 23.08 Favored 'General case' 0 N--CA 1.469 0.483 0 CA-C-N 116.297 -0.411 . . . . 64.03 111.109 177.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.722 ' HB2' HD21 ' A' ' 65' ' ' LEU . 70.3 p-90 -152.37 145.97 24.97 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 121.203 0.525 . . . . 73.13 112.28 -178.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.408 ' O ' HD23 ' A' ' 65' ' ' LEU . 25.5 mt-10 -131.28 130.36 42.71 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-N 116.206 -0.452 . . . . 71.21 110.765 176.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 4.6 tm-20 -83.85 116.69 22.86 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.854 0.359 . . . . 71.1 110.087 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.4 m -114.82 147.27 18.36 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.431 0 CA-C-O 121.489 0.661 . . . . 65.31 112.552 -171.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -78.31 140.23 38.82 Favored 'General case' 0 CA--C 1.535 0.382 0 CA-C-N 115.736 -0.666 . . . . 74.5 112.045 -177.717 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.413 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.0 OUTLIER -63.5 -17.49 62.81 Favored 'General case' 0 N--CA 1.471 0.591 0 CA-C-N 115.915 -0.584 . . . . 71.04 111.34 177.604 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -64.4 -28.01 69.39 Favored 'General case' 0 CA--C 1.538 0.516 0 N-CA-C 112.774 0.657 . . . . 64.31 112.774 -177.104 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 39.2 mm-40 -87.18 -6.17 58.71 Favored 'General case' 0 CA--C 1.539 0.535 0 N-CA-C 112.514 0.561 . . . . 74.24 112.514 -176.065 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 85.0 mt -90.39 123.11 66.38 Favored Pre-proline 0 CA--C 1.541 0.602 0 O-C-N 122.169 -0.332 . . . . 74.0 111.68 179.823 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 60.4 Cg_endo -71.0 166.08 30.31 Favored 'Trans proline' 0 CA--C 1.542 0.919 0 C-N-CA 122.548 2.165 . . . . 71.12 112.65 178.401 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -51.1 -37.13 44.04 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 112.285 0.476 . . . . 64.42 112.285 -177.471 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.428 ' HB3' ' HB ' ' A' ' 96' ' ' VAL . 3.9 mptp? -55.74 -44.98 78.08 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.118 -0.492 . . . . 65.03 111.83 179.062 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 48.8 t -87.86 -44.27 15.8 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.389 -0.369 . . . . 62.4 111.796 -177.424 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 78.4 tttt -59.95 -61.04 2.91 Favored 'General case' 0 CA--C 1.539 0.524 0 N-CA-C 112.416 0.524 . . . . 72.31 112.416 -177.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 41.4 mt-10 -83.91 -63.55 1.33 Allowed 'General case' 0 CA--C 1.537 0.443 0 N-CA-C 112.371 0.508 . . . . 75.2 112.371 -171.393 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 22.0 tptp -73.99 -48.5 29.89 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 111.849 0.315 . . . . 65.22 111.849 -175.091 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 6.3 tt 67.84 116.18 0.03 OUTLIER 'General case' 0 N--CA 1.474 0.772 0 CA-C-O 121.152 0.501 . . . . 74.43 111.274 178.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 107.45 26.12 5.77 Favored Glycine 0 CA--C 1.526 0.749 0 C-N-CA 121.127 -0.559 . . . . 41.14 113.057 -178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.428 ' HB ' ' HB3' ' A' ' 89' ' ' LYS . 42.2 t -114.05 145.34 20.01 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.545 0 O-C-N 122.656 -0.32 . . . . 62.24 110.81 178.875 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -70.7 126.79 30.57 Favored 'General case' 0 CA--C 1.539 0.548 0 CA-C-O 121.172 0.51 . . . . 60.14 112.344 -177.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 98' ' ' LEU . 5.2 mp -81.23 82.73 7.03 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-O 121.173 0.511 . . . . 54.34 110.101 173.754 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -81.44 14.87 2.27 Favored 'General case' 0 N--CA 1.473 0.677 0 N-CA-C 112.856 0.688 . . . . 70.52 112.856 -175.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 34.1 t-80 -73.32 81.66 1.37 Allowed 'General case' 0 CA--C 1.543 0.688 0 CA-C-O 121.344 0.592 . . . . 74.42 111.545 179.545 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.0 t60 -110.04 49.35 0.85 Allowed 'General case' 0 CA--C 1.542 0.671 0 CA-C-O 121.329 0.585 . . . . 75.41 109.585 177.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 34.4 m80 65.51 -64.84 0.18 Allowed 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 115.697 -0.683 . . . . 75.53 111.825 -171.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 52.6 t-80 52.09 68.32 0.83 Allowed 'General case' 0 CA--C 1.54 0.587 0 CA-C-O 121.258 0.551 . . . . 71.54 111.57 178.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 9.9 t-80 -67.32 -45.37 76.66 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 115.911 -0.586 . . . . 74.23 110.444 179.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 19.7 m80 . . . . . 0 C--O 1.25 1.122 0 CA-C-N 115.642 -0.708 . . . . 64.22 110.65 171.777 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.456 ' HG3' ' O ' ' A' ' 1' ' ' MET . 26.1 ptt? . . . . . 0 N--CA 1.49 1.53 0 CA-C-O 121.043 0.449 . . . . 72.15 111.036 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.6 m-20 -119.73 37.05 4.3 Favored 'General case' 0 N--CA 1.472 0.675 0 O-C-N 121.718 -0.614 . . . . 65.2 111.555 -178.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.432 HD12 ' N ' ' A' ' 4' ' ' ASN . 4.2 pp -58.73 -24.61 61.85 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 121.019 0.437 . . . . 72.42 111.832 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.432 ' N ' HD12 ' A' ' 3' ' ' LEU . 29.8 p-10 -75.14 -29.71 60.58 Favored 'General case' 0 CA--C 1.544 0.736 0 CA-C-O 121.025 0.44 . . . . 75.13 111.658 179.074 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 35.5 mmt180 -109.28 -66.46 1.06 Allowed 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 120.726 0.298 . . . . 75.32 111.667 -178.317 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 65.1 mtt 62.23 -179.52 0.13 Allowed 'General case' 0 CA--C 1.545 0.752 0 CA-C-O 121.156 0.503 . . . . 63.41 111.888 -174.026 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.0 -164.94 30.15 Favored Glycine 0 CA--C 1.524 0.624 0 C-N-CA 120.925 -0.655 . . . . 63.4 113.126 -179.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -129.53 111.1 12.4 Favored 'General case' 0 CA--C 1.537 0.445 0 CA-C-O 120.989 0.423 . . . . 62.42 111.017 -178.581 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 34.1 m-20 -81.48 140.18 34.75 Favored 'General case' 0 CA--C 1.538 0.506 0 CA-C-O 120.939 0.4 . . . . 72.31 111.758 -177.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -130.87 137.88 49.57 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-O 120.869 0.366 . . . . 72.43 110.708 173.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 93.5 m-85 -113.03 137.85 50.78 Favored 'General case' 0 N--CA 1.47 0.574 0 CA-C-O 120.872 0.368 . . . . 74.32 111.827 -176.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . 0.464 ' CD1' HD21 ' A' ' 86' ' ' LEU . 48.4 m-85 -88.93 105.48 17.79 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 120.975 0.417 . . . . 73.04 111.483 175.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 32.9 m -127.94 168.34 21.29 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.454 0 CA-C-N 116.404 -0.362 . . . . 61.31 110.615 175.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.8 pt20 -133.62 170.38 15.61 Favored 'General case' 0 N--CA 1.469 0.516 0 CA-C-O 120.698 0.285 . . . . 61.42 110.831 176.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.541 ' HB ' ' O ' ' A' ' 61' ' ' LYS . 44.7 mm -72.12 92.96 0.5 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.581 0 CA-C-O 121.3 0.571 . . . . 54.25 111.681 -178.328 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 72.9 p -74.15 -64.56 0.99 Allowed 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 115.969 -0.56 . . . . 73.34 110.57 174.273 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 31.7 m -98.8 129.4 49.22 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-N 115.993 -0.549 . . . . 72.42 111.113 176.439 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -123.84 171.03 9.97 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-O 121.054 0.454 . . . . 71.33 111.4 179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 72.33 10.06 73.93 Favored Glycine 0 CA--C 1.527 0.782 0 N-CA-C 114.605 0.602 . . . . 73.13 114.605 178.674 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 35' ' ' TYR . 57.4 tptt -69.14 76.43 0.35 Allowed 'General case' 0 CA--C 1.54 0.596 0 CA-C-O 121.373 0.606 . . . . 55.54 109.957 175.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -85.35 105.68 16.18 Favored 'General case' 0 CA--C 1.536 0.424 0 CA-C-N 115.901 -0.59 . . . . 72.42 110.539 -177.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 22' ' ' VAL . 17.6 m -69.35 84.25 0.17 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.479 0 CA-C-O 121.987 0.899 . . . . 74.32 111.888 -175.246 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 71.9 m80 -71.88 65.37 0.53 Allowed 'General case' 0 CA--C 1.539 0.523 0 CA-C-N 115.193 -0.912 . . . . 72.13 111.242 176.688 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 39.2 t -60.9 -38.21 84.9 Favored 'General case' 0 N--CA 1.469 0.514 0 CA-C-N 116.298 -0.41 . . . . 72.52 111.508 -178.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt 63.21 74.85 0.42 Allowed 'General case' 0 CA--C 1.54 0.558 0 CA-C-N 115.899 -0.591 . . . . 62.32 111.618 -179.096 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -86.63 -19.61 29.05 Favored 'General case' 0 N--CA 1.469 0.513 0 CA-C-N 116.173 -0.467 . . . . 75.14 111.132 176.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 3.9 t70 53.29 -153.72 0.25 Allowed 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 115.564 -0.744 . . . . 75.41 110.754 -177.093 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 5.3 t30 67.54 -12.34 0.28 Allowed 'General case' 0 CA--C 1.547 0.843 0 N-CA-C 112.255 0.465 . . . . 73.34 112.255 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 119.75 -15.25 10.49 Favored Glycine 0 CA--C 1.528 0.856 0 N-CA-C 112.226 -0.349 . . . . 75.33 112.226 -173.426 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 52.8 tp60 -79.23 115.96 19.21 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 121.092 0.472 . . . . 73.23 111.313 179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 63.2 mttm -99.07 99.59 10.63 Favored 'General case' 0 CA--C 1.538 0.505 0 N-CA-C 112.294 0.479 . . . . 73.43 112.294 -174.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 44.0 m-85 -96.69 105.7 17.85 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-N 116.55 -0.295 . . . . 73.1 111.323 173.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 97.1 mttt -148.27 61.9 1.1 Allowed 'General case' 0 CA--C 1.538 0.497 0 CA-C-N 116.254 -0.43 . . . . 72.02 111.04 173.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 -95.76 160.01 14.7 Favored 'General case' 0 N--CA 1.468 0.455 0 CA-C-O 120.927 0.394 . . . . 73.3 111.399 179.233 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.407 ' HA ' ' O ' ' A' ' 20' ' ' LYS . 92.7 m-85 -97.35 123.3 41.13 Favored 'General case' 0 CA--C 1.536 0.407 0 CA-C-N 116.453 -0.34 . . . . 73.5 110.602 177.389 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.514 ' HG2' HG22 ' A' ' 54' ' ' THR . 0.8 OUTLIER -111.12 138.07 48.01 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 120.742 0.306 . . . . 75.11 110.949 -171.741 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.425 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 61.0 m-85 -123.89 95.39 4.55 Favored 'General case' 0 CA--C 1.536 0.437 0 CA-C-O 121.151 0.5 . . . . 72.43 111.803 -175.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.514 ' HD3' ' HB3' ' A' ' 52' ' ' GLU . 8.3 tppt? -79.53 93.19 5.39 Favored 'General case' 0 CA--C 1.54 0.585 0 CA-C-N 116.249 -0.432 . . . . 63.11 110.071 176.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 19.7 mt -114.2 137.58 51.58 Favored 'General case' 0 N--CA 1.472 0.644 0 CA-C-O 120.952 0.406 . . . . 75.51 111.92 -172.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 86.7 m -96.88 114.26 25.87 Favored 'General case' 0 N--CA 1.469 0.509 0 CA-C-O 120.785 0.326 . . . . 64.21 110.968 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -92.82 129.85 10.06 Favored Glycine 0 CA--C 1.526 0.735 0 C-N-CA 121.438 -0.41 . . . . 75.03 112.697 179.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.42 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 98.5 m-85 -90.69 136.54 33.0 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-O 121.06 0.457 . . . . 74.42 111.753 -178.698 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -87.43 177.62 7.05 Favored 'General case' 0 CA--C 1.548 0.882 0 CA-C-N 116.349 -0.387 . . . . 62.44 111.063 -178.45 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 mmtp -65.19 -31.95 73.38 Favored 'General case' 0 CA--C 1.547 0.836 0 N-CA-C 113.757 1.021 . . . . 63.4 113.757 -169.059 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -85.41 -4.39 59.14 Favored 'General case' 0 N--CA 1.474 0.744 0 O-C-N 121.897 -0.502 . . . . 74.12 111.419 177.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 98.95 26.76 8.72 Favored Glycine 0 CA--C 1.526 0.756 0 C-N-CA 121.239 -0.505 . . . . 62.21 112.647 -175.716 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 72.1 mmtt -77.64 160.65 28.37 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 122.404 0.282 . . . . 62.54 110.847 178.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -111.52 107.91 17.26 Favored 'General case' 0 CA--C 1.542 0.637 0 CA-C-O 121.393 0.616 . . . . 74.41 111.601 178.299 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.484 ' HB2' ' HZ2' ' A' ' 49' ' ' LYS . 4.8 ttmp? -110.61 137.46 48.26 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.125 -0.489 . . . . 73.35 110.882 179.71 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.87 125.23 35.68 Favored 'General case' 0 CA--C 1.543 0.687 0 N-CA-C 112.086 0.402 . . . . 65.43 112.086 -175.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -125.98 167.5 15.22 Favored 'General case' 0 N--CA 1.476 0.853 0 CA-C-O 121.176 0.512 . . . . 74.13 111.561 177.125 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.514 ' HB3' ' HD3' ' A' ' 38' ' ' LYS . 11.0 pt-20 -168.11 159.37 10.98 Favored 'General case' 0 N--CA 1.472 0.658 0 CA-C-N 116.16 -0.473 . . . . 63.0 110.798 179.219 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 41.3 p90 -172.77 148.35 1.85 Allowed 'General case' 0 N--CA 1.478 0.952 0 CA-C-O 121.133 0.492 . . . . 74.03 112.207 176.585 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.514 HG22 ' HG2' ' A' ' 36' ' ' GLU . 63.0 p -101.56 123.05 44.95 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 121.195 0.522 . . . . 73.52 112.069 -179.566 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -98.69 136.5 38.66 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 116.352 -0.386 . . . . 71.12 110.735 173.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.76 -31.14 61.69 Favored 'General case' 0 CA--C 1.534 0.362 0 CA-C-O 120.875 0.369 . . . . 43.24 111.125 -177.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -123.67 162.96 22.02 Favored 'General case' 0 N--CA 1.469 0.493 0 CA-C-N 116.136 -0.483 . . . . 73.22 111.324 -179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 37.4 t-20 -79.34 85.28 5.18 Favored 'General case' 0 CA--C 1.539 0.541 0 CA-C-O 121.314 0.578 . . . . 72.11 109.909 176.556 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 1.9 pp -72.09 -176.57 1.8 Allowed 'General case' 0 CA--C 1.542 0.645 0 N-CA-C 112.956 0.724 . . . . 61.31 112.956 -174.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 67.6 mtt180 -57.44 108.04 0.5 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.947 -0.57 . . . . 75.13 111.695 179.02 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.541 ' O ' ' HB ' ' A' ' 15' ' ' ILE . 57.8 mttp -67.51 -35.73 79.67 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 116.048 -0.524 . . . . 63.24 112.39 -175.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -87.58 6.91 32.1 Favored 'General case' 0 CA--C 1.541 0.612 0 N-CA-C 112.08 0.4 . . . . 72.15 112.08 -178.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.42 154.01 23.06 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 65.3 111.861 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 61.6 m-85 -100.6 113.44 26.27 Favored 'General case' 0 CA--C 1.535 0.386 0 CA-C-O 121.29 0.566 . . . . 72.41 110.951 178.339 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.522 HD23 ' HA ' ' A' ' 80' ' ' GLU . 96.0 mt -89.94 119.38 30.25 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-O 121.323 0.583 . . . . 73.44 111.649 -178.636 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.404 ' HB2' ' HB2' ' A' ' 79' ' ' GLU . 31.8 mtp180 -80.78 90.07 5.82 Favored 'General case' 0 C--O 1.235 0.328 0 CA-C-N 115.942 -0.572 . . . . 75.21 109.787 176.337 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 35.5 m -81.49 141.84 14.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.485 0 CA-C-O 121.809 0.814 . . . . 64.54 112.725 -174.044 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.539 ' HD2' ' HG ' ' A' ' 70' ' ' SER . 80.3 t80 -90.77 122.76 33.79 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 114.608 -1.178 . . . . 63.41 112.173 -174.019 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 12.9 t-80 -74.78 89.68 2.31 Favored 'General case' 0 N--CA 1.468 0.456 0 CA-C-O 121.124 0.488 . . . . 70.3 110.361 175.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.539 ' HG ' ' HD2' ' A' ' 68' ' ' TYR . 42.8 m -80.0 156.51 27.14 Favored 'General case' 0 N--CA 1.47 0.554 0 CA-C-N 115.842 -0.617 . . . . 54.21 112.441 -177.561 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 25.1 t70 -55.48 -43.19 75.34 Favored 'General case' 0 CA--C 1.54 0.569 0 CA-C-N 115.643 -0.708 . . . . 74.14 111.645 177.268 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.557 ' HD2' ' O ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER -81.77 7.4 12.71 Favored 'General case' 0 CA--C 1.544 0.72 0 N-CA-C 112.55 0.574 . . . . 74.45 112.55 -179.649 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.655 ' NZ ' ' HB3' ' A' ' 73' ' ' LYS . 0.0 OUTLIER 64.4 164.45 0.14 Allowed 'General case' 0 N--CA 1.478 0.926 0 CA-C-O 121.078 0.466 . . . . 74.0 111.297 -179.481 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.615 ' N ' ' HD2' ' A' ' 73' ' ' LYS . . . 73.79 20.55 79.77 Favored Glycine 0 CA--C 1.525 0.693 0 C-N-CA 120.17 -1.014 . . . . 61.14 114.163 174.186 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 79.5 t 69.28 138.22 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.548 0.877 0 N-CA-C 113.745 1.017 . . . . 74.25 113.745 171.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 30.2 t -111.75 -23.33 10.68 Favored 'General case' 0 N--CA 1.475 0.815 0 CA-C-N 115.777 -0.647 . . . . 65.15 110.637 171.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -157.79 159.81 37.14 Favored 'General case' 0 CA--C 1.538 0.484 0 CA-C-N 116.018 -0.537 . . . . 71.04 111.138 -179.578 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.424 ' CE3' HD22 ' A' ' 65' ' ' LEU . 44.7 p-90 -146.89 148.06 31.43 Favored 'General case' 0 N--CA 1.469 0.508 0 CA-C-O 121.066 0.46 . . . . 52.21 111.477 179.295 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.404 ' HB2' ' HB2' ' A' ' 66' ' ' ARG . 31.9 mt-10 -109.43 138.99 44.96 Favored 'General case' 0 N--CA 1.469 0.476 0 CA-C-N 116.151 -0.477 . . . . 74.24 110.795 177.51 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.522 ' HA ' HD23 ' A' ' 65' ' ' LEU . 28.8 tt0 -99.08 106.86 19.12 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 120.919 0.39 . . . . 62.44 111.701 -176.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 31.4 m -129.55 176.68 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 CA-C-O 120.833 0.349 . . . . 52.44 110.835 176.541 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -118.79 171.84 7.93 Favored 'General case' 0 N--CA 1.47 0.535 0 CA-C-O 121.302 0.572 . . . . 74.21 111.786 175.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.45 ' HD3' ' N ' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -58.13 -11.96 3.05 Favored 'General case' 0 N--CA 1.473 0.712 0 N-CA-C 112.552 0.575 . . . . 75.42 112.552 179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -65.46 -15.88 63.08 Favored 'General case' 0 CA--C 1.545 0.775 0 N-CA-C 113.088 0.773 . . . . 64.24 113.088 -176.293 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.6 pt-20 -102.64 -1.03 30.97 Favored 'General case' 0 N--CA 1.477 0.922 0 O-C-N 121.738 -0.602 . . . . 60.2 111.465 175.755 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.464 HD21 ' CD1' ' A' ' 12' ' ' TYR . 91.4 mt -93.02 130.65 35.44 Favored Pre-proline 0 N--CA 1.47 0.552 0 N-CA-C 112.416 0.524 . . . . 72.55 112.416 -175.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.543 ' O ' HG12 ' A' ' 90' ' ' VAL . 60.8 Cg_endo -72.99 122.23 7.95 Favored 'Trans proline' 0 CA--C 1.539 0.767 0 C-N-CA 122.528 2.152 . . . . 65.31 112.004 173.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -50.05 -22.77 1.74 Allowed 'General case' 0 CA--C 1.543 0.701 0 N-CA-C 112.751 0.649 . . . . 65.24 112.751 -177.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 56.8 mttp -46.51 -45.16 18.29 Favored 'General case' 0 N--CA 1.472 0.665 0 N-CA-C 112.117 0.414 . . . . 75.44 112.117 176.118 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . 0.543 HG12 ' O ' ' A' ' 87' ' ' PRO . 14.5 p -62.9 -36.77 77.07 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.535 0 CA-C-O 120.86 0.362 . . . . 63.34 111.596 -178.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.7 tttp -74.96 -22.32 58.63 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-O 121.246 0.546 . . . . 72.14 110.868 179.406 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -83.09 -26.76 30.76 Favored 'General case' 0 CA--C 1.54 0.56 0 CA-C-N 116.105 -0.498 . . . . 75.21 111.107 174.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 18.6 tptm -91.23 -42.17 10.56 Favored 'General case' 0 CA--C 1.542 0.653 0 CA-C-N 116.076 -0.511 . . . . 73.4 111.785 -174.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 60.0 tp -59.42 129.77 43.62 Favored 'General case' 0 N--CA 1.471 0.612 0 CA-C-O 121.154 0.502 . . . . 73.21 111.694 -178.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 120.84 -39.47 2.4 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 121.186 -0.53 . . . . 71.12 112.749 -178.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 29.4 m -129.64 127.1 64.08 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.56 0 CA-C-O 121.232 0.539 . . . . 54.44 111.721 -179.206 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -102.06 123.61 46.24 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 121.002 0.43 . . . . 64.32 110.802 178.388 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.498 HD23 ' N ' ' A' ' 98' ' ' LEU . 1.8 pt? -142.84 137.79 29.87 Favored 'General case' 0 CA--C 1.538 0.487 0 CA-C-O 121.236 0.541 . . . . 75.13 111.342 -177.477 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.431 ' O ' ' HB2' ' A' ' 100' ' ' HIS . 38.6 tt0 -79.01 -38.68 36.02 Favored 'General case' 0 CA--C 1.541 0.633 0 N-CA-C 112.779 0.659 . . . . 64.55 112.779 -174.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . 0.431 ' HB2' ' O ' ' A' ' 99' ' ' GLU . 39.9 m80 68.38 175.82 0.27 Allowed 'General case' 0 N--CA 1.475 0.786 0 C-N-CA 122.747 0.419 . . . . 63.5 110.426 -167.387 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.6 t60 -127.63 99.7 5.69 Favored 'General case' 0 CA--C 1.539 0.543 0 O-C-N 121.715 -0.616 . . . . 64.42 111.519 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 41.4 t60 -56.2 113.94 1.76 Allowed 'General case' 0 CA--C 1.544 0.727 0 CA-C-N 115.679 -0.691 . . . . 74.23 111.443 -177.13 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -73.5 145.32 45.73 Favored 'General case' 0 N--CA 1.474 0.752 0 N-CA-C 112.483 0.549 . . . . 72.34 112.483 -175.243 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.6 t60 -104.76 137.78 42.04 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-N 115.866 -0.607 . . . . 72.12 111.147 179.51 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 29.3 t-80 . . . . . 0 C--O 1.253 1.275 0 CA-C-O 118.606 -0.711 . . . . 71.53 111.094 174.706 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.8 tpt . . . . . 0 N--CA 1.486 1.374 0 CA-C-O 120.914 0.387 . . . . 74.01 111.34 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -79.84 98.86 7.26 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-O 121.153 0.501 . . . . 74.22 111.885 -179.511 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 95.7 mt -114.43 23.79 12.47 Favored 'General case' 0 N--CA 1.471 0.601 0 CA-C-N 116.121 -0.49 . . . . 73.01 111.135 178.143 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -74.63 -46.07 40.74 Favored 'General case' 0 N--CA 1.469 0.521 0 CA-C-O 120.841 0.353 . . . . 74.21 111.681 -176.381 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -132.16 96.85 3.98 Favored 'General case' 0 N--CA 1.468 0.452 0 CA-C-N 116.475 -0.329 . . . . 70.52 110.799 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 84.0 mtp -87.47 150.63 23.64 Favored 'General case' 0 N--CA 1.466 0.374 0 CA-C-O 120.845 0.355 . . . . 73.21 111.302 177.611 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.88 61.55 3.34 Favored Glycine 0 CA--C 1.529 0.924 0 N-CA-C 114.766 0.666 . . . . 74.24 114.766 -174.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.523 ' HB3' ' HE1' ' A' ' 68' ' ' TYR . 29.5 mtmt -90.45 86.29 6.4 Favored 'General case' 0 CA--C 1.534 0.327 0 O-C-N 122.237 -0.566 . . . . 75.15 110.381 174.02 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.559 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 3.4 m-20 -87.69 171.89 10.1 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 115.756 -0.656 . . . . 71.53 111.669 -177.702 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -154.5 99.98 2.23 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-O 121.725 0.774 . . . . 75.13 110.316 173.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 61.3 m-85 -92.99 136.8 32.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.854 -0.612 . . . . 73.31 111.913 -171.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 47.4 m-85 -89.77 98.7 11.92 Favored 'General case' 0 CA--C 1.536 0.44 0 N-CA-C 109.138 -0.69 . . . . 51.34 109.138 172.447 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 14.6 m -118.81 128.98 75.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.055 0.455 . . . . 70.01 112.224 -173.106 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.402 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.5 pt20 -81.21 150.31 28.68 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 120.936 0.398 . . . . 73.42 111.583 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.425 ' HB ' ' H ' ' A' ' 62' ' ' GLU . 48.8 mm -64.64 118.62 7.24 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.466 0 N-CA-C 112.182 0.438 . . . . 75.14 112.182 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -77.6 -63.43 1.38 Allowed 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 115.877 -0.602 . . . . 74.04 110.642 175.4 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 32.4 m -133.82 148.92 30.31 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.524 0 CA-C-N 116.062 -0.517 . . . . 71.33 111.454 177.204 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -130.97 178.95 6.28 Favored 'General case' 0 N--CA 1.469 0.489 0 CA-C-N 116.344 -0.389 . . . . 71.21 110.962 176.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.86 3.39 55.32 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 120.977 -0.63 . . . . 40.12 114.351 178.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt -87.11 130.92 34.31 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-N 117.629 0.714 . . . . 64.03 110.085 174.557 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -102.59 166.2 10.65 Favored 'General case' 0 CA--C 1.54 0.588 0 CA-C-O 121.407 0.622 . . . . 72.21 112.454 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.54 HG13 ' HB2' ' A' ' 36' ' ' GLU . 15.5 m -118.53 65.57 0.24 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.604 0 CA-C-N 115.798 -0.637 . . . . 71.13 112.164 178.201 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.403 ' O ' ' N ' ' A' ' 25' ' ' LYS . 27.1 t60 -63.0 -29.31 70.73 Favored 'General case' 0 N--CA 1.469 0.484 0 CA-C-O 121.091 0.472 . . . . 53.2 110.782 175.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 23.1 t 49.34 -81.0 0.01 OUTLIER 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 124.579 1.152 . . . . 72.15 112.883 176.64 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 23' ' ' HIS . 20.1 pttp -153.27 24.59 0.54 Allowed 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.176 -0.465 . . . . 75.21 111.273 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . 64.93 69.78 0.48 Allowed 'General case' 0 CA--C 1.539 0.522 0 CA-C-O 121.408 0.623 . . . . 72.41 111.769 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -88.94 123.65 33.49 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 115.958 -0.565 . . . . 62.2 112.314 -177.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 67.2 m-20 71.82 -37.69 0.4 Allowed 'General case' 0 N--CA 1.481 1.105 0 N-CA-C 114.412 1.264 . . . . 75.54 114.412 171.373 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -157.59 63.78 0.31 Allowed Glycine 0 CA--C 1.524 0.619 0 C-N-CA 121.007 -0.616 . . . . 62.01 112.829 -170.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.1 pt20 -35.41 155.26 0.01 OUTLIER 'General case' 0 N--CA 1.48 1.05 0 N-CA-C 114.993 1.479 . . . . 72.12 114.993 -174.097 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 49.3 mtmt 71.72 3.29 4.61 Favored 'General case' 0 N--CA 1.478 0.936 0 CA-C-N 115.036 -0.984 . . . . 74.22 112.796 -177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -69.64 158.68 34.86 Favored 'General case' 0 N--CA 1.474 0.749 0 N-CA-C 111.943 0.349 . . . . 71.0 111.943 177.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 42.9 mmtm -131.92 107.16 8.52 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-O 120.906 0.384 . . . . 75.43 111.895 176.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.45 ' O ' HG22 ' A' ' 22' ' ' VAL . 4.3 m-20 -115.85 138.09 51.49 Favored 'General case' 0 N--CA 1.47 0.539 0 N-CA-C 109.404 -0.591 . . . . 71.23 109.404 172.153 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.413 ' O ' ' HA ' ' A' ' 54' ' ' THR . 73.0 m-85 -88.29 146.67 25.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 112.755 0.65 . . . . 65.01 112.755 -172.559 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.54 ' HB2' HG13 ' A' ' 22' ' ' VAL . 33.7 tt0 -112.03 117.89 33.91 Favored 'General case' 0 N--CA 1.469 0.499 0 CA-C-N 115.67 -0.695 . . . . 74.12 111.644 -175.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 66.8 m-85 -109.06 101.12 10.21 Favored 'General case' 0 CA--C 1.538 0.503 0 CA-C-O 121.063 0.458 . . . . 65.51 110.978 174.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -104.93 125.68 51.2 Favored 'General case' 0 N--CA 1.469 0.515 0 CA-C-N 115.951 -0.568 . . . . 65.23 111.046 179.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -159.09 161.5 36.42 Favored 'General case' 0 CA--C 1.542 0.645 0 CA-C-O 121.132 0.491 . . . . 54.43 112.042 -176.424 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.686 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 84.1 m -98.26 119.48 37.0 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-O 120.972 0.415 . . . . 71.1 111.69 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -78.86 117.16 4.51 Favored Glycine 0 CA--C 1.525 0.663 0 C-N-CA 121.162 -0.542 . . . . 74.41 112.064 174.647 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 93.1 m-85 -99.88 141.12 33.12 Favored 'General case' 0 N--CA 1.468 0.471 0 CA-C-O 121.287 0.565 . . . . 75.13 112.031 -178.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 26.8 t70 -91.86 164.78 13.55 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 115.901 -0.591 . . . . 60.1 111.334 177.767 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 4.7 mtpm? -53.45 -30.51 41.09 Favored 'General case' 0 CA--C 1.545 0.754 0 N-CA-C 113.054 0.761 . . . . 73.34 113.054 -178.232 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 44.9 m-20 -95.28 8.56 42.74 Favored 'General case' 0 CA--C 1.545 0.77 0 N-CA-C 112.717 0.636 . . . . 74.11 112.717 -178.459 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 89.07 17.33 56.24 Favored Glycine 0 CA--C 1.527 0.781 0 C-N-CA 121.291 -0.481 . . . . 75.25 113.428 177.756 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.472 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 75.2 mmtt -81.1 134.11 35.59 Favored 'General case' 0 CA--C 1.536 0.406 0 O-C-N 122.711 -0.288 . . . . 74.52 110.823 179.364 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -97.41 141.98 29.82 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 121.326 0.584 . . . . 72.13 112.295 -174.205 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -148.91 95.69 2.44 Favored 'General case' 0 CA--C 1.539 0.556 0 CA-C-N 115.886 -0.597 . . . . 55.02 110.639 174.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.686 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 39.4 tt0 -77.78 135.27 37.96 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-O 121.146 0.498 . . . . 73.23 112.101 -176.195 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.443 ' N ' HD23 ' A' ' 51' ' ' LEU . 2.3 pt? -145.64 165.34 29.01 Favored 'General case' 0 CA--C 1.538 0.51 0 CA-C-N 115.928 -0.578 . . . . 64.42 110.703 178.728 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -144.31 142.77 30.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 121.277 0.561 . . . . 71.25 111.567 179.196 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 35.2 p90 -145.67 149.79 35.11 Favored 'General case' 0 CA--C 1.534 0.364 0 CA-C-N 116.105 -0.498 . . . . 73.13 111.423 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.413 ' HA ' ' O ' ' A' ' 35' ' ' TYR . 17.6 p -96.14 146.43 24.67 Favored 'General case' 0 N--CA 1.468 0.458 0 CA-C-O 121.266 0.555 . . . . 74.11 112.264 -178.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -131.74 160.47 35.41 Favored 'General case' 0 CA--C 1.537 0.467 0 CA-C-N 115.959 -0.564 . . . . 43.4 111.009 179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 20.4 mt-30 -87.97 -7.47 57.05 Favored 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 116.241 -0.436 . . . . 71.41 111.67 -176.323 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 39.4 tptt -145.92 149.21 33.79 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-N 116.623 -0.262 . . . . 63.34 111.621 -167.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 78.2 m-20 -84.74 94.75 8.75 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 120.975 0.417 . . . . 64.45 110.252 171.475 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.8 pp -79.34 -170.98 2.51 Favored 'General case' 0 CA--C 1.543 0.68 0 CA-C-N 116.336 -0.393 . . . . 64.34 111.918 -176.555 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HD2' ' H ' ' A' ' 60' ' ' ARG . 6.5 mpt_? -64.29 110.27 2.18 Favored 'General case' 0 N--CA 1.471 0.614 0 N-CA-C 112.164 0.431 . . . . 61.23 112.164 -174.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.458 ' NZ ' ' HB3' ' A' ' 61' ' ' LYS . 0.2 OUTLIER -61.87 149.63 39.76 Favored 'General case' 0 CA--C 1.54 0.595 0 CA-C-N 116.402 -0.363 . . . . 74.1 111.422 177.116 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.425 ' H ' ' HB ' ' A' ' 15' ' ' ILE . 35.6 tt0 70.67 -19.13 0.23 Allowed 'General case' 0 N--CA 1.477 0.896 0 N-CA-C 112.935 0.717 . . . . 71.44 112.935 -177.36 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 14' ' ' GLN . . . -69.61 168.45 14.76 Favored 'General case' 0 N--CA 1.469 0.507 0 O-C-N 122.015 -0.428 . . . . 71.32 111.219 178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.447 ' HB2' HG23 ' A' ' 81' ' ' VAL . 89.8 m-85 -102.24 145.13 29.88 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 121.502 0.668 . . . . 72.3 112.276 -174.222 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.507 HD23 ' HA ' ' A' ' 80' ' ' GLU . 75.7 mt -116.27 122.54 45.25 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.73 -0.668 . . . . 74.0 110.664 174.568 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 59.9 ttt180 -80.9 84.44 6.4 Favored 'General case' 0 CA--C 1.535 0.395 0 N-CA-C 109.514 -0.55 . . . . 65.22 109.514 175.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.9 t -92.65 124.56 45.14 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.479 0 CA-C-N 115.653 -0.703 . . . . 71.51 112.31 -173.438 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.523 ' HE1' ' HB3' ' A' ' 8' ' ' LYS . 29.5 t80 -80.25 139.04 36.87 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 114.911 -1.041 . . . . 70.25 111.316 177.251 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.559 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 13.1 t-80 -99.21 128.49 45.35 Favored 'General case' 0 CA--C 1.543 0.684 0 N-CA-C 113.009 0.744 . . . . 73.12 113.009 -173.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 73.7 m -136.36 135.59 38.95 Favored 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 115.893 -0.594 . . . . 71.21 110.354 170.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -83.46 -30.94 26.84 Favored 'General case' 0 N--CA 1.469 0.476 0 O-C-N 121.991 -0.443 . . . . 71.01 111.227 173.641 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -75.39 -45.41 39.29 Favored 'General case' 0 CA--C 1.539 0.534 0 CA-C-N 116.327 -0.397 . . . . 74.23 111.768 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 6.1 tmtp? -114.66 6.66 15.76 Favored 'General case' 0 CA--C 1.547 0.859 0 N-CA-C 112.08 0.4 . . . . 74.54 112.08 -177.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.2 -83.49 0.42 Allowed Glycine 0 CA--C 1.532 1.114 0 C-N-CA 121.328 -0.463 . . . . 22.42 113.602 179.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 59.1 t -126.48 109.32 20.81 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.568 0 CA-C-O 121.029 0.442 . . . . 63.0 110.816 179.341 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 19.1 m -90.76 -18.47 24.91 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 112.073 0.397 . . . . 71.13 112.073 -178.574 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -173.63 148.3 1.5 Allowed 'General case' 0 N--CA 1.47 0.557 0 N-CA-C 112.456 0.539 . . . . 64.3 112.456 -179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.423 ' CE3' HD22 ' A' ' 65' ' ' LEU . 57.5 p-90 -143.17 142.59 31.49 Favored 'General case' 0 N--CA 1.47 0.531 0 CA-C-O 121.074 0.464 . . . . 61.32 110.889 172.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 62.7 mm-40 -115.03 141.49 47.93 Favored 'General case' 0 N--CA 1.468 0.445 0 CA-C-N 116.371 -0.377 . . . . 65.11 110.979 178.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.507 ' HA ' HD23 ' A' ' 65' ' ' LEU . 25.4 tt0 -84.48 119.6 25.34 Favored 'General case' 0 N--CA 1.469 0.485 0 CA-C-O 120.72 0.295 . . . . 64.53 110.73 177.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.447 HG23 ' HB2' ' A' ' 64' ' ' PHE . 27.5 m -130.54 130.49 64.98 Favored 'Isoleucine or valine' 0 CA--C 1.545 0.763 0 CA-C-O 121.443 0.639 . . . . 65.51 111.535 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 37.6 mtmm -83.23 161.7 21.43 Favored 'General case' 0 CA--C 1.54 0.56 0 O-C-N 121.85 -0.531 . . . . 74.24 111.653 -179.472 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.26 -47.22 72.53 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.28 -0.418 . . . . 74.23 111.852 -174.519 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 23.4 m-20 -73.9 -12.5 60.68 Favored 'General case' 0 N--CA 1.47 0.555 0 N-CA-C 112.437 0.532 . . . . 73.31 112.437 -177.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 41.0 mt-10 -76.03 -29.32 58.04 Favored 'General case' 0 N--CA 1.467 0.416 0 CA-C-O 120.993 0.425 . . . . 71.24 110.653 173.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 78.8 mt -92.75 144.48 28.67 Favored Pre-proline 0 CA--C 1.537 0.464 0 CA-C-N 116.044 -0.526 . . . . 64.22 111.124 178.81 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 24.3 Cg_exo -64.31 140.82 72.29 Favored 'Trans proline' 0 CA--C 1.54 0.805 0 C-N-CA 122.6 2.2 . . . . 72.11 112.925 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -57.04 -25.34 58.46 Favored 'General case' 0 N--CA 1.47 0.543 0 CA-C-O 121.28 0.562 . . . . 71.42 111.664 177.011 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.471 ' O ' ' HD3' ' A' ' 93' ' ' LYS . 58.9 mttp -58.35 -15.11 9.18 Favored 'General case' 0 CA--C 1.542 0.65 0 CA-C-N 116.002 -0.544 . . . . 70.23 112.298 176.535 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.2 t -91.59 -46.18 14.44 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.563 0 CA-C-O 120.877 0.37 . . . . 72.24 111.518 176.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.8 tttm -71.65 -54.18 11.2 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 113.146 0.795 . . . . 74.51 113.146 -172.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 2.4 mp0 -65.36 -19.08 65.79 Favored 'General case' 0 N--CA 1.477 0.894 0 N-CA-C 112.539 0.57 . . . . 73.31 112.539 -178.371 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.471 ' HD3' ' O ' ' A' ' 89' ' ' LYS . 1.5 mptm? -86.06 -55.83 3.75 Favored 'General case' 0 N--CA 1.468 0.45 0 O-C-N 122.329 -0.232 . . . . 75.01 110.95 175.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 10.1 tt 67.8 -22.86 0.12 Allowed 'General case' 0 N--CA 1.481 1.077 0 N-CA-C 113.176 0.806 . . . . 64.35 113.176 174.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 128.98 55.44 0.1 Allowed Glycine 0 CA--C 1.526 0.742 0 O-C-N 121.938 -0.476 . . . . 71.12 112.234 -175.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.429 HG13 ' O ' ' A' ' 93' ' ' LYS . 33.8 m -76.4 164.11 3.67 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.576 0 CA-C-O 121.289 0.566 . . . . 61.34 112.457 -178.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 5.9 ttpm? -124.84 31.18 5.72 Favored 'General case' 0 CA--C 1.546 0.806 0 CA-C-O 121.678 0.751 . . . . 64.13 111.474 -178.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.454 HD13 ' H ' ' A' ' 98' ' ' LEU . 0.0 OUTLIER -143.24 146.3 33.52 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 116.27 -0.423 . . . . 70.43 111.158 175.626 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 42.2 mt-10 -96.55 -74.05 0.58 Allowed 'General case' 0 CA--C 1.537 0.446 0 CA-C-O 121.085 0.469 . . . . 73.43 111.657 -177.594 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 48.1 t-80 -138.67 52.85 1.79 Allowed 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 121.336 0.588 . . . . 64.12 110.127 -175.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 62.0 t-80 -75.79 77.48 2.73 Favored 'General case' 0 CA--C 1.54 0.582 0 CA-C-O 121.209 0.528 . . . . 74.2 112.236 -173.021 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.0 m80 -147.12 131.27 17.35 Favored 'General case' 0 N--CA 1.469 0.517 0 CA-C-N 116.081 -0.509 . . . . 71.24 110.437 175.294 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 3.4 p-80 -67.48 134.57 51.6 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 112.737 0.643 . . . . 74.02 112.737 -175.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -138.94 31.96 2.2 Favored 'General case' 0 CA--C 1.538 0.509 0 CA-C-N 115.688 -0.687 . . . . 74.33 110.311 175.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 31.4 m80 . . . . . 0 C--O 1.252 1.206 0 CA-C-N 115.473 -0.785 . . . . 71.11 111.716 -175.363 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 11.0 mmt . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 120.729 0.3 . . . . 71.5 110.304 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -107.16 93.84 4.77 Favored 'General case' 0 CA--C 1.536 0.408 0 N-CA-C 112.846 0.684 . . . . 74.54 112.846 -170.178 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . . . . . . . . . 3.2 pp -80.84 -13.78 58.63 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.27 0.557 . . . . 52.31 109.924 168.013 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . . . . . . . . . 1.1 m-20 -56.37 -53.3 58.92 Favored 'General case' 0 N--CA 1.466 0.372 0 CA-C-N 115.369 -0.832 . . . . 74.12 110.822 177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 61.0 mtt180 -104.82 85.52 2.31 Favored 'General case' 0 C--O 1.238 0.459 0 CA-C-O 121.511 0.672 . . . . 74.44 111.667 177.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 19.5 mmt -85.13 175.42 9.0 Favored 'General case' 0 CA--C 1.537 0.474 0 CA-C-N 115.525 -0.761 . . . . 71.4 110.722 172.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.79 71.74 1.21 Allowed Glycine 0 CA--C 1.524 0.653 0 C-N-CA 121.027 -0.606 . . . . 75.42 112.206 -174.282 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 67.1 mmtt -89.16 45.31 1.28 Allowed 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.217 0.532 . . . . 60.14 110.47 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -68.65 178.86 1.91 Allowed 'General case' 0 CA--C 1.542 0.667 0 N-CA-C 112.752 0.649 . . . . 72.34 112.752 -174.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.446 ' HA ' ' O ' ' A' ' 67' ' ' VAL . 5.1 pm0 -86.56 146.99 26.14 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.772 0.796 . . . . 73.01 112.887 -172.348 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 -118.14 151.55 37.36 Favored 'General case' 0 CA--C 1.535 0.387 0 CA-C-N 115.308 -0.86 . . . . 74.22 110.354 174.316 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 49.8 m-85 -90.88 106.51 18.56 Favored 'General case' 0 CA--C 1.539 0.535 0 CA-C-O 120.822 0.344 . . . . 64.3 110.685 178.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.414 HG12 ' CA ' ' A' ' 41' ' ' GLY . 26.9 m -100.98 147.47 8.01 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.566 0 CA-C-O 121.146 0.498 . . . . 40.24 112.033 -179.12 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 1.8 mm-40 -113.99 154.89 26.86 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 115.876 -0.602 . . . . 52.03 110.633 175.078 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.443 HG13 ' HA ' ' A' ' 61' ' ' LYS . 42.9 mm -69.35 86.3 0.19 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.531 0 CA-C-O 121.284 0.564 . . . . 62.34 111.762 -176.557 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.434 ' OG1' ' HA ' ' A' ' 39' ' ' LEU . 63.7 p -77.88 -45.01 25.43 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-N 116.003 -0.544 . . . . 74.13 111.061 175.107 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 12.1 m -139.06 131.24 36.77 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.569 0 CA-C-N 115.792 -0.64 . . . . 71.45 110.816 174.626 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -122.52 154.35 37.99 Favored 'General case' 0 CA--C 1.54 0.593 0 CA-C-O 121.32 0.581 . . . . 73.25 112.53 -176.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 67.47 4.55 31.74 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 115.61 1.004 . . . . 72.22 115.61 169.551 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 20.0 pttp -75.94 89.8 2.96 Favored 'General case' 0 CA--C 1.539 0.52 0 CA-C-N 118.594 1.197 . . . . 72.13 110.113 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.483 ' HA ' ' HA ' ' A' ' 35' ' ' TYR . 7.8 pt-20 -72.45 150.8 43.0 Favored 'General case' 0 CA--C 1.537 0.444 0 CA-C-N 114.987 -1.006 . . . . 52.01 113.479 -172.016 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 10.7 m -124.03 93.17 2.31 Favored 'Isoleucine or valine' 0 CA--C 1.543 0.695 0 CA-C-N 114.956 -1.02 . . . . 75.13 110.917 173.712 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . 0.524 ' HB3' ' HG3' ' A' ' 33' ' ' LYS . 6.1 p-80 -90.59 21.72 3.85 Favored 'General case' 0 CA--C 1.54 0.594 0 O-C-N 121.972 -0.455 . . . . 75.31 111.127 177.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 45.3 t 61.6 -80.76 0.02 OUTLIER 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 123.501 0.721 . . . . 74.2 111.997 176.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.0 pttt -162.65 20.53 0.09 Allowed 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.828 -0.624 . . . . 62.13 110.612 -178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.573 ' HB1' ' HA ' ' A' ' 30' ' ' GLN . . . -78.69 24.01 0.3 Allowed 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.959 0.726 . . . . 50.12 112.959 -174.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -56.88 131.36 49.33 Favored 'General case' 0 CA--C 1.542 0.666 0 CA-C-O 120.868 0.366 . . . . 74.23 111.433 -179.785 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 64.28 28.33 13.84 Favored 'General case' 0 CA--C 1.551 0.982 0 CA-C-O 121.387 0.613 . . . . 73.13 110.969 -177.119 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 179.33 47.27 0.08 OUTLIER Glycine 0 CA--C 1.526 0.739 0 CA-C-N 116.274 -0.421 . . . . 70.05 112.362 176.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.573 ' HA ' ' HB1' ' A' ' 26' ' ' ALA . 0.2 OUTLIER -81.33 92.5 6.4 Favored 'General case' 0 CA--C 1.538 0.517 0 N-CA-C 112.635 0.606 . . . . 74.41 112.635 -173.183 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -89.8 -2.16 58.16 Favored 'General case' 0 N--CA 1.474 0.771 0 CA-C-O 121.661 0.744 . . . . 71.31 110.049 167.07 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.476 ' CZ ' ' HB2' ' A' ' 26' ' ' ALA . 3.2 p90 -146.97 136.16 22.56 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 115.12 -0.946 . . . . 75.13 109.712 177.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.524 ' HG3' ' HB3' ' A' ' 23' ' ' HIS . 51.4 tttm -167.68 92.39 0.37 Allowed 'General case' 0 CA--C 1.536 0.439 0 CA-C-O 120.839 0.352 . . . . 71.54 110.205 -170.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -104.74 143.42 33.13 Favored 'General case' 0 N--CA 1.469 0.5 0 N-CA-C 112.075 0.398 . . . . 72.52 112.075 -172.727 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . 0.483 ' HA ' ' HA ' ' A' ' 21' ' ' GLU . 82.9 m-85 -84.6 137.34 33.34 Favored 'General case' 0 N--CA 1.469 0.485 0 N-CA-C 109.865 -0.42 . . . . 64.44 109.865 174.398 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -120.78 144.69 48.17 Favored 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 121.14 0.495 . . . . 75.4 111.437 -175.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.475 ' O ' ' HA ' ' A' ' 52' ' ' GLU . 58.8 m-85 -132.31 111.39 11.32 Favored 'General case' 0 CA--C 1.537 0.447 0 CA-C-N 116.081 -0.509 . . . . 74.14 111.276 -174.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 61.2 tttp -103.12 88.78 3.23 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 121.054 0.454 . . . . 74.23 109.868 175.269 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.434 ' HA ' ' OG1' ' A' ' 16' ' ' THR . 25.4 mt -104.36 144.67 31.33 Favored 'General case' 0 N--CA 1.468 0.426 0 CA-C-N 116.179 -0.464 . . . . 73.22 112.14 -170.16 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 53.9 m -73.63 117.51 15.49 Favored 'General case' 0 N--CA 1.469 0.506 0 CA-C-O 120.792 0.33 . . . . 53.44 111.147 175.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.414 ' CA ' HG12 ' A' ' 13' ' ' VAL . . . -102.16 128.01 9.41 Favored Glycine 0 CA--C 1.52 0.386 0 C-N-CA 121.296 -0.478 . . . . 51.25 112.579 178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . 0.433 ' HA ' ' O ' ' A' ' 47' ' ' LYS . 93.3 m-85 -94.61 137.29 33.9 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.096 0.474 . . . . 73.15 111.597 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.407 ' CB ' ' HB2' ' A' ' 47' ' ' LYS . 15.4 t70 -69.18 147.38 51.41 Favored 'General case' 0 CA--C 1.535 0.4 0 CA-C-N 116.192 -0.458 . . . . 72.41 109.773 176.113 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 47.0 mtpt -65.69 -11.95 49.5 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 112.524 0.564 . . . . 75.42 112.524 -171.275 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -97.49 -49.55 4.85 Favored 'General case' 0 CA--C 1.542 0.655 0 CA-C-O 120.772 0.32 . . . . 74.15 110.606 171.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 155.31 75.4 0.02 OUTLIER Glycine 0 CA--C 1.528 0.884 0 C-N-CA 120.994 -0.622 . . . . 65.54 113.76 177.757 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.433 ' O ' ' HA ' ' A' ' 42' ' ' PHE . 63.8 mttm -143.61 161.55 38.22 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 122.574 0.35 . . . . 65.04 110.559 175.548 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -111.73 124.58 52.63 Favored 'General case' 0 N--CA 1.471 0.621 0 CA-C-O 120.703 0.287 . . . . 53.01 111.448 178.608 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 5.2 tmtt? -152.67 120.75 6.2 Favored 'General case' 0 CA--C 1.54 0.572 0 N-CA-C 109.962 -0.385 . . . . 73.41 109.962 176.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 46.5 mt-10 -74.04 130.11 39.17 Favored 'General case' 0 CA--C 1.54 0.573 0 N-CA-C 112.781 0.66 . . . . 72.4 112.781 -174.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.422 HD11 ' ND1' ' A' ' 69' ' ' HIS . 3.9 mm? -110.94 140.74 45.19 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-N 115.727 -0.67 . . . . 44.22 109.809 172.483 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.475 ' HA ' ' O ' ' A' ' 37' ' ' TYR . 6.4 pt-20 -137.76 139.63 40.18 Favored 'General case' 0 N--CA 1.468 0.454 0 CA-C-O 121.032 0.444 . . . . 70.54 112.102 -174.689 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.619 ' HB3' ' HB ' ' A' ' 75' ' ' VAL . 52.8 p90 -157.07 161.55 39.47 Favored 'General case' 0 N--CA 1.469 0.5 0 CA-C-O 121.143 0.497 . . . . 73.22 112.313 -176.728 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 59.4 p -98.38 157.86 15.94 Favored 'General case' 0 N--CA 1.471 0.592 0 CA-C-N 116.071 -0.513 . . . . 70.03 111.108 174.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -143.42 179.65 6.97 Favored 'General case' 0 CA--C 1.539 0.551 0 CA-C-O 121.129 0.49 . . . . 62.24 111.987 -177.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.4 -35.44 11.18 Favored 'General case' 0 N--CA 1.473 0.7 0 CA-C-N 116.074 -0.512 . . . . 75.24 112.023 -177.189 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.5 mtmm -127.16 179.54 5.38 Favored 'General case' 0 N--CA 1.471 0.576 0 CA-C-O 121.009 0.433 . . . . 71.13 111.115 -176.348 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -77.09 107.78 9.7 Favored 'General case' 0 CA--C 1.538 0.514 0 N-CA-C 108.756 -0.831 . . . . 64.24 108.756 166.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.26 174.41 4.75 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 121.097 0.475 . . . . 64.33 112.194 -172.412 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 82.0 mtt85 -64.56 100.08 0.35 Allowed 'General case' 0 CA--C 1.541 0.625 0 CA-C-O 121.414 0.626 . . . . 72.52 110.986 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.443 ' HA ' HG13 ' A' ' 15' ' ' ILE . 31.6 mtmm -69.32 14.53 0.09 Allowed 'General case' 0 N--CA 1.473 0.723 0 N-CA-C 114.121 1.156 . . . . 62.45 114.121 -169.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -139.38 -7.75 1.32 Allowed 'General case' 0 CA--C 1.544 0.741 0 O-C-N 121.974 -0.454 . . . . 63.25 111.697 178.128 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -84.22 175.92 9.11 Favored 'General case' 0 CA--C 1.537 0.478 0 CA-C-O 121.116 0.484 . . . . 25.43 111.847 -177.244 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . . . . . . . . . 47.2 m-85 -112.84 136.3 52.63 Favored 'General case' 0 N--CA 1.467 0.423 0 CA-C-N 116.102 -0.499 . . . . 74.02 110.168 177.615 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.481 ' HA ' ' O ' ' A' ' 79' ' ' GLU . 4.2 mp -110.41 130.63 55.51 Favored 'General case' 0 N--CA 1.468 0.442 0 CA-C-O 121.054 0.454 . . . . 74.15 111.652 178.723 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 73.9 mtp180 -84.74 95.85 9.07 Favored 'General case' 0 N--CA 1.465 0.301 0 N-CA-C 109.399 -0.593 . . . . 64.51 109.399 170.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 78' ' ' TRP . 31.3 m -99.48 135.18 35.93 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.358 0 N-CA-C 112.765 0.654 . . . . 62.25 112.765 -173.117 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 18.6 t80 -70.22 105.88 3.12 Favored 'General case' 0 CA--C 1.538 0.511 0 CA-C-N 115.35 -0.841 . . . . 73.32 110.859 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.422 ' ND1' HD11 ' A' ' 51' ' ' LEU . 11.9 t60 -74.18 96.92 2.84 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 121.009 0.433 . . . . 61.12 111.429 -173.682 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.533 ' HB2' ' HB3' ' A' ' 73' ' ' LYS . 29.2 m -120.23 118.36 30.26 Favored 'General case' 0 N--CA 1.473 0.681 0 CA-C-N 116.466 -0.333 . . . . 55.51 111.146 179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.8 p-10 -53.71 -62.72 1.47 Allowed 'General case' 0 CA--C 1.547 0.838 0 N-CA-C 112.757 0.651 . . . . 42.45 112.757 -178.03 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -83.14 20.78 1.19 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 113.06 0.763 . . . . 74.41 113.06 -178.229 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.533 ' HB3' ' HB2' ' A' ' 70' ' ' SER . 24.3 tptm -143.23 -8.94 0.77 Allowed 'General case' 0 CA--C 1.547 0.856 0 CA-C-O 120.871 0.367 . . . . 53.25 111.747 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 67.3 -82.68 0.13 Allowed Glycine 0 CA--C 1.526 0.748 0 N-CA-C 111.854 -0.499 . . . . 65.22 111.854 -172.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.619 ' HB ' ' HB3' ' A' ' 53' ' ' PHE . 74.2 t -140.11 116.94 9.22 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.39 0 C-N-CA 122.802 0.441 . . . . 72.24 110.412 175.716 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 6.8 t -87.61 -18.3 29.96 Favored 'General case' 0 N--CA 1.473 0.685 0 CA-C-O 120.637 0.256 . . . . 64.44 111.66 -177.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -161.14 148.99 15.48 Favored 'General case' 0 N--CA 1.472 0.656 0 CA-C-N 116.588 -0.278 . . . . 72.22 111.381 179.255 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.474 ' HB3' HG12 ' A' ' 67' ' ' VAL . 47.2 p-90 -145.67 140.95 27.65 Favored 'General case' 0 N--CA 1.475 0.776 0 CA-C-O 120.928 0.394 . . . . 75.35 111.947 -179.248 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . 0.481 ' O ' ' HA ' ' A' ' 65' ' ' LEU . 32.0 mt-10 -120.94 136.48 54.95 Favored 'General case' 0 N--CA 1.473 0.702 0 CA-C-N 116.532 -0.304 . . . . 51.41 110.99 176.334 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -92.51 106.25 18.27 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 116.55 -0.295 . . . . 73.03 110.872 179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 35.8 m -115.17 163.04 12.82 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.711 0 CA-C-O 121.178 0.513 . . . . 64.0 112.191 -177.107 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.4 ' HE2' ' HB2' ' A' ' 82' ' ' LYS . 1.0 OUTLIER -100.55 147.47 25.88 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 116.432 -0.349 . . . . 65.44 111.43 -178.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.411 ' H ' ' HD3' ' A' ' 83' ' ' LYS . 0.1 OUTLIER -56.97 -24.7 55.19 Favored 'General case' 0 CA--C 1.542 0.658 0 N-CA-C 112.446 0.536 . . . . 75.01 112.446 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -58.05 -50.71 72.5 Favored 'General case' 0 N--CA 1.471 0.575 0 CA-C-O 121.268 0.556 . . . . 71.11 111.543 -179.488 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -83.88 -2.43 56.44 Favored 'General case' 0 CA--C 1.539 0.519 0 CA-C-N 115.902 -0.59 . . . . 72.22 111.611 -176.649 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' HA ' ' HD3' ' A' ' 87' ' ' PRO . 96.3 mt -93.28 145.03 29.27 Favored Pre-proline 0 CA--C 1.536 0.416 0 CA-C-N 116.476 -0.329 . . . . 74.44 110.901 176.407 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . 0.418 ' HD3' ' HA ' ' A' ' 86' ' ' LEU . 38.1 Cg_exo -61.82 105.62 0.39 Allowed 'Trans proline' 0 CA--C 1.54 0.79 0 C-N-CA 122.318 2.012 . . . . 54.42 112.44 176.312 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -54.17 -24.53 18.45 Favored 'General case' 0 N--CA 1.471 0.625 0 CA-C-N 116.425 -0.352 . . . . 55.0 111.62 178.74 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 86.0 tttt -39.97 -40.19 0.98 Allowed 'General case' 0 N--CA 1.473 0.721 0 C-N-CA 123.883 0.873 . . . . 74.43 112.402 175.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.7 t -57.83 -46.35 87.24 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.63 0 CA-C-O 120.901 0.381 . . . . 75.31 111.718 -179.315 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 63.4 tttp -84.18 -32.09 24.77 Favored 'General case' 0 CA--C 1.538 0.518 0 CA-C-N 116.605 -0.271 . . . . 65.34 111.667 -179.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -68.17 -42.33 80.15 Favored 'General case' 0 N--CA 1.469 0.518 0 N-CA-C 112.074 0.398 . . . . 72.43 112.074 -177.695 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 34.9 tptt -80.3 -29.67 38.2 Favored 'General case' 0 CA--C 1.542 0.647 0 CA-C-O 120.844 0.354 . . . . 72.53 111.771 -176.419 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 57.8 tp -64.5 107.0 1.26 Allowed 'General case' 0 CA--C 1.539 0.534 0 CA-C-O 121.011 0.434 . . . . 63.15 111.385 -179.515 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 95.75 -0.16 62.75 Favored Glycine 0 CA--C 1.528 0.887 0 C-N-CA 121.157 -0.544 . . . . 63.14 113.337 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.805 HG12 ' H ' ' A' ' 98' ' ' LEU . 41.4 t -125.13 145.48 32.39 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.602 0 O-C-N 122.401 -0.47 . . . . 72.03 111.147 179.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.563 ' HD2' HD12 ' A' ' 98' ' ' LEU . 0.0 OUTLIER -113.75 18.4 17.46 Favored 'General case' 0 N--CA 1.473 0.703 0 N-CA-C 112.184 0.439 . . . . 74.12 112.184 179.826 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.805 ' H ' HG12 ' A' ' 96' ' ' VAL . 5.6 mp -116.23 172.16 7.36 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-O 121.078 0.466 . . . . 74.42 110.96 173.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 mp0 -103.27 -42.67 5.67 Favored 'General case' 0 N--CA 1.469 0.48 0 N-CA-C 109.352 -0.61 . . . . 72.22 109.352 170.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -167.33 -76.05 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 115.332 -0.849 . . . . 75.1 109.416 171.345 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 65.6 m-70 -159.39 136.22 9.43 Favored 'General case' 0 N--CA 1.476 0.83 0 C-N-CA 123.195 0.598 . . . . 74.44 110.349 173.363 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 60.7 m-70 -71.89 87.02 0.99 Allowed 'General case' 0 N--CA 1.47 0.558 0 CA-C-O 121.134 0.492 . . . . 72.52 112.031 -176.257 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -151.07 108.23 3.59 Favored 'General case' 0 N--CA 1.473 0.688 0 CA-C-N 115.861 -0.609 . . . . 75.23 111.195 178.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 52.9 t-80 68.1 140.84 0.03 OUTLIER 'General case' 0 N--CA 1.475 0.822 0 CA-C-O 121.162 0.506 . . . . 63.3 112.058 177.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 92.9 m-70 . . . . . 0 C--O 1.253 1.254 0 CA-C-O 118.602 -0.714 . . . . 61.44 110.921 174.393 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 83.3 mtp . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 120.57 0.224 . . . . 64.52 110.784 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -112.0 137.02 50.58 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.526 0.203 . . . . 71.03 111.315 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.536 HD12 ' N ' ' A' ' 4' ' ' ASN . 3.6 pp -64.89 -26.85 68.5 Favored 'General case' 0 CA--C 1.541 0.626 0 N-CA-C 113.114 0.783 . . . . 64.03 113.114 -175.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.536 ' N ' HD12 ' A' ' 3' ' ' LEU . 21.4 m120 -70.78 -11.61 61.05 Favored 'General case' 0 N--CA 1.472 0.673 0 O-C-N 121.986 -0.446 . . . . 71.21 111.724 179.024 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -79.36 -27.94 41.97 Favored 'General case' 0 N--CA 1.467 0.381 0 CA-C-O 121.019 0.437 . . . . 63.11 110.976 173.245 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 26.3 mmt -90.42 93.52 9.34 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.225 -0.443 . . . . 64.41 110.744 177.005 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -145.0 71.69 0.36 Allowed Glycine 0 CA--C 1.523 0.54 0 C-N-CA 120.715 -0.755 . . . . 74.41 112.994 -179.299 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.59 -73.44 0.2 Allowed 'General case' 0 CA--C 1.543 0.69 0 N-CA-C 109.889 -0.411 . . . . 74.3 109.889 175.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . 0.751 ' HB2' ' HB3' ' A' ' 69' ' ' HIS . 19.5 m-20 -138.27 113.15 9.09 Favored 'General case' 0 N--CA 1.472 0.65 0 CA-C-N 116.757 -0.201 . . . . 73.11 110.556 173.72 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -107.03 111.95 24.67 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.312 0.577 . . . . 61.11 110.991 174.169 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 97.1 m-85 -97.55 138.44 34.96 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 116.25 -0.432 . . . . 72.45 111.392 -178.305 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 52.3 m-85 -95.06 100.41 12.24 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 120.986 0.422 . . . . 74.44 111.021 179.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.8 m -122.55 148.67 26.16 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.602 0 CA-C-N 116.429 -0.35 . . . . 64.25 111.231 179.139 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -105.63 175.38 5.52 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.177 0.513 . . . . 54.23 111.617 -179.194 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.416 HG21 ' O ' ' A' ' 60' ' ' ARG . 48.3 mm -79.5 105.19 8.55 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.616 0 CA-C-N 116.007 -0.542 . . . . 71.32 111.835 -178.181 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 81.1 p -96.93 -69.21 0.77 Allowed 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 116.46 -0.337 . . . . 75.44 111.199 177.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 28.1 m -103.29 128.45 56.32 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-O 121.017 0.436 . . . . 71.34 111.422 176.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -127.58 167.57 16.18 Favored 'General case' 0 CA--C 1.538 0.488 0 CA-C-O 121.094 0.473 . . . . 60.21 111.94 -179.102 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 71.19 8.0 64.39 Favored Glycine 0 CA--C 1.528 0.897 0 N-CA-C 114.788 0.675 . . . . 64.2 114.788 175.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -73.18 90.42 1.58 Allowed 'General case' 0 N--CA 1.467 0.42 0 CA-C-N 117.528 0.664 . . . . 71.41 110.499 177.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.742 ' HB2' ' HB3' ' A' ' 33' ' ' LYS . 12.6 pt-20 -80.27 121.51 25.73 Favored 'General case' 0 CA--C 1.541 0.615 0 CA-C-O 121.509 0.671 . . . . 73.55 111.673 -176.466 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.415 HG23 ' O ' ' A' ' 22' ' ' VAL . 16.6 m -108.54 89.3 1.26 Allowed 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 CA-C-O 121.658 0.742 . . . . 65.25 111.45 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -72.63 77.38 1.09 Allowed 'General case' 0 CA--C 1.54 0.573 0 CA-C-N 116.041 -0.527 . . . . 71.14 110.908 176.699 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 47.7 t -164.39 42.7 0.09 Allowed 'General case' 0 N--CA 1.471 0.615 0 CA-C-O 121.355 0.598 . . . . 70.22 110.171 -177.656 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -164.56 58.83 0.14 Allowed 'General case' 0 CA--C 1.543 0.683 0 CA-C-N 115.974 -0.557 . . . . 52.23 111.545 -173.537 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' CB ' ' HB2' ' A' ' 32' ' ' TYR . . . -169.21 -111.46 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.673 0 N-CA-C 114.216 1.191 . . . . 72.15 114.216 179.55 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -121.21 -179.29 4.0 Favored 'General case' 0 CA--C 1.539 0.542 0 N-CA-C 113.597 0.962 . . . . 72.11 113.597 -164.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -76.53 -11.61 59.9 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.147 -0.933 . . . . 71.34 112.752 -175.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.0 -41.52 0.02 OUTLIER Glycine 0 CA--C 1.523 0.575 0 C-N-CA 120.305 -0.95 . . . . 70.53 113.731 -179.179 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.0 tt0 -58.09 121.22 10.12 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-O 121.215 0.531 . . . . 75.42 110.858 179.26 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.5 mmtt -80.74 91.6 5.93 Favored 'General case' 0 CA--C 1.539 0.522 0 N-CA-C 112.917 0.71 . . . . 75.11 112.917 -169.253 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.492 ' C ' ' HD3' ' A' ' 33' ' ' LYS . 87.4 m-85 -96.61 135.68 38.19 Favored 'General case' 0 N--CA 1.47 0.566 0 CA-C-N 116.246 -0.434 . . . . 65.25 110.817 169.392 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.742 ' HB3' ' HB2' ' A' ' 21' ' ' GLU . 0.0 OUTLIER -138.14 108.41 6.46 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.767 0.318 . . . . 73.25 111.548 174.382 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.561 ' HB3' ' HB ' ' A' ' 54' ' ' THR . 4.4 m-20 -85.49 146.98 26.67 Favored 'General case' 0 CA--C 1.536 0.431 0 CA-C-N 116.515 -0.311 . . . . 72.25 110.516 175.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -90.13 117.62 29.04 Favored 'General case' 0 CA--C 1.536 0.411 0 CA-C-O 120.948 0.404 . . . . 74.11 110.903 178.282 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.519 ' HA ' HG22 ' A' ' 54' ' ' THR . 42.8 tt0 -84.57 105.15 15.17 Favored 'General case' 0 N--CA 1.466 0.359 0 N-CA-C 112.375 0.509 . . . . 74.21 112.375 -172.763 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.417 ' HB3' HD21 ' A' ' 39' ' ' LEU . 95.8 m-85 -96.12 92.73 6.56 Favored 'General case' 0 CA--C 1.537 0.462 0 CA-C-N 116.144 -0.48 . . . . 74.55 110.492 172.574 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.527 ' HG3' ' HB2' ' A' ' 52' ' ' GLU . 16.4 ttpt -99.15 106.82 19.05 Favored 'General case' 0 N--CA 1.467 0.417 0 O-C-N 122.269 -0.269 . . . . 64.04 110.539 176.645 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.439 HD22 ' N ' ' A' ' 39' ' ' LEU . 1.4 mm? -114.43 135.85 53.65 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 120.964 0.411 . . . . 60.34 111.552 -176.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . . . . . . . . . 94.2 m -75.87 98.87 4.31 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-O 121.031 0.443 . . . . 74.44 110.019 171.746 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -71.38 130.95 19.15 Favored Glycine 0 CA--C 1.523 0.571 0 CA-C-N 116.135 -0.484 . . . . 64.13 112.951 179.161 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 81.3 m-85 -96.99 132.44 42.8 Favored 'General case' 0 CA--C 1.537 0.456 0 CA-C-O 120.866 0.365 . . . . 74.11 111.44 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -75.79 158.85 31.69 Favored 'General case' 0 CA--C 1.543 0.705 0 CA-C-N 116.315 -0.402 . . . . 62.31 112.064 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 28.3 mtpp -50.71 -39.86 52.59 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.313 0.645 . . . . 74.4 112.208 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -63.67 -56.83 12.7 Favored 'General case' 0 CA--C 1.539 0.545 0 CA-C-O 121.14 0.495 . . . . 72.4 111.063 176.226 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 143.22 48.6 0.04 OUTLIER Glycine 0 CA--C 1.525 0.693 0 CA-C-N 115.488 -0.778 . . . . 61.25 111.472 -175.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 78.3 mttt -112.86 -179.35 3.63 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 122.684 0.393 . . . . 74.52 111.154 -175.188 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -119.88 138.92 53.12 Favored 'General case' 0 CA--C 1.538 0.512 0 CA-C-O 120.912 0.387 . . . . 75.42 111.2 177.142 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 40.2 tptt -144.31 141.53 29.83 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 122.229 -0.294 . . . . 61.11 110.409 178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -89.78 114.78 26.55 Favored 'General case' 0 CA--C 1.544 0.737 0 O-C-N 122.031 -0.418 . . . . 73.43 111.895 -176.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -121.75 146.84 46.65 Favored 'General case' 0 N--CA 1.48 1.029 0 CA-C-O 120.712 0.291 . . . . 71.25 110.977 176.504 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.527 ' HB2' ' HG3' ' A' ' 38' ' ' LYS . 1.0 OUTLIER -147.46 124.91 11.64 Favored 'General case' 0 N--CA 1.47 0.571 0 N-CA-C 111.83 0.307 . . . . 73.5 111.83 179.811 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . . . . . . . . . 50.0 p90 -133.41 127.69 33.92 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.186 0.517 . . . . 72.2 111.21 173.557 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . 0.561 ' HB ' ' HB3' ' A' ' 34' ' ' ASP . 25.5 p -96.57 112.75 24.38 Favored 'General case' 0 N--CA 1.47 0.555 0 CA-C-O 121.065 0.46 . . . . 74.02 112.006 -179.307 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -97.97 150.93 20.83 Favored 'General case' 0 N--CA 1.473 0.676 0 CA-C-O 120.972 0.415 . . . . 65.34 111.952 -177.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.5 pt20 -77.79 -16.7 58.18 Favored 'General case' 0 CA--C 1.545 0.756 0 N-CA-C 112.594 0.59 . . . . 60.24 112.594 -178.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.1 mtpm? -139.61 160.64 39.39 Favored 'General case' 0 N--CA 1.475 0.788 0 CA-C-O 120.769 0.318 . . . . 71.12 111.317 177.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 40.7 t30 -65.23 119.04 10.16 Favored 'General case' 0 CA--C 1.537 0.461 0 N-CA-C 109.574 -0.528 . . . . 74.12 109.574 173.173 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.459 ' C ' ' HD2' ' A' ' 60' ' ' ARG . 84.2 mt -80.52 -89.17 0.07 Allowed 'General case' 0 CA--C 1.542 0.649 0 N-CA-C 113.282 0.845 . . . . 72.34 113.282 -170.184 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.459 ' HD2' ' C ' ' A' ' 59' ' ' LEU . 11.0 mpt_? -125.32 -163.9 1.24 Allowed 'General case' 0 N--CA 1.472 0.626 0 CA-C-O 120.78 0.324 . . . . 71.25 111.444 -172.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -129.05 -77.02 0.55 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.015 0.436 . . . . 74.5 111.08 175.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -87.54 -18.38 29.9 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-O 120.825 0.345 . . . . 74.51 111.554 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.48 148.61 49.28 Favored 'General case' 0 N--CA 1.47 0.539 0 CA-C-O 121.105 0.479 . . . . 70.11 112.224 -173.387 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.519 ' CD1' ' HB3' ' A' ' 83' ' ' LYS . 10.8 m-85 -98.23 160.45 14.28 Favored 'General case' 0 CA--C 1.534 0.354 0 CA-C-O 121.793 0.806 . . . . 64.52 111.839 -178.317 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.535 HD23 ' HA ' ' A' ' 80' ' ' GLU . 29.1 mt -131.44 135.55 47.23 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.366 -0.833 . . . . 72.51 110.899 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.457 ' O ' ' HA ' ' A' ' 78' ' ' TRP . 35.8 mtp-105 -80.74 90.46 5.82 Favored 'General case' 0 N--CA 1.466 0.348 0 CA-C-N 116.33 -0.395 . . . . 63.44 110.264 175.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 85.9 t -86.23 126.6 40.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-O 121.489 0.662 . . . . 72.31 111.915 -176.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . 0.592 ' O ' ' HA ' ' A' ' 75' ' ' VAL . 32.3 t80 -89.41 128.13 35.9 Favored 'General case' 0 CA--C 1.538 0.505 0 CA-C-N 115.376 -0.829 . . . . 63.11 112.139 -174.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . 0.751 ' HB3' ' HB2' ' A' ' 9' ' ' ASP . 25.3 t-80 -92.1 129.98 37.93 Favored 'General case' 0 CA--C 1.543 0.705 0 N-CA-C 112.312 0.486 . . . . 73.55 112.312 -179.858 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 80.0 p -140.41 168.92 18.66 Favored 'General case' 0 N--CA 1.475 0.797 0 CA-C-N 116.148 -0.478 . . . . 65.35 110.98 174.231 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -75.9 -68.05 0.61 Allowed 'General case' 0 CA--C 1.538 0.506 0 N-CA-C 112.15 0.426 . . . . 75.33 112.15 -178.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 17.7 pttp -87.48 -4.05 59.0 Favored 'General case' 0 N--CA 1.473 0.69 0 N-CA-C 113.333 0.864 . . . . 54.3 113.333 -170.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 54.4 mttm -113.29 -24.99 9.06 Favored 'General case' 0 N--CA 1.472 0.662 0 O-C-N 122.277 -0.264 . . . . 74.04 111.677 175.055 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 76.21 -64.93 2.74 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.545 -0.836 . . . . 31.0 111.681 -172.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.592 ' HA ' ' O ' ' A' ' 68' ' ' TYR . 90.1 t -124.56 119.74 57.11 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 CA-C-O 120.935 0.397 . . . . 70.14 111.017 175.34 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 41.1 t -92.95 -26.18 17.68 Favored 'General case' 0 N--CA 1.471 0.597 0 N-CA-C 111.834 0.309 . . . . 75.21 111.834 -179.006 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -171.47 166.34 6.88 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-O 120.808 0.337 . . . . 71.21 111.864 -178.793 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.457 ' HA ' ' O ' ' A' ' 66' ' ' ARG . 39.9 p-90 -152.05 134.14 15.03 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 116.248 -0.433 . . . . 72.2 111.109 176.547 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -121.22 144.95 48.32 Favored 'General case' 0 N--CA 1.469 0.501 0 CA-C-O 121.218 0.532 . . . . 72.3 111.696 178.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.535 ' HA ' HD23 ' A' ' 65' ' ' LEU . 31.3 tt0 -76.11 127.25 32.54 Favored 'General case' 0 CA--C 1.542 0.646 0 CA-C-N 115.709 -0.678 . . . . 73.34 112.273 -174.626 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.1 m -141.12 151.28 19.91 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.725 0 CA-C-O 121.397 0.618 . . . . 73.42 112.187 178.3 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.42 ' O ' ' HG2' ' A' ' 85' ' ' GLU . 26.7 mtpp -84.73 148.52 26.32 Favored 'General case' 0 N--CA 1.467 0.395 0 CA-C-N 115.965 -0.561 . . . . 40.3 110.708 175.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . 0.519 ' HB3' ' CD1' ' A' ' 64' ' ' PHE . 0.1 OUTLIER -83.18 3.94 28.77 Favored 'General case' 0 N--CA 1.471 0.609 0 CA-C-O 121.069 0.461 . . . . 64.42 111.628 179.585 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -107.67 -10.53 15.61 Favored 'General case' 0 CA--C 1.54 0.587 0 CA-C-N 116.391 -0.368 . . . . 74.43 111.81 176.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.42 ' HG2' ' O ' ' A' ' 82' ' ' LYS . 11.8 pt-20 -97.27 -10.52 25.57 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-O 121.007 0.432 . . . . 64.42 111.275 178.32 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.4 mt -79.81 158.67 72.69 Favored Pre-proline 0 CA--C 1.544 0.731 0 CA-C-N 116.138 -0.483 . . . . 61.22 111.605 -178.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 85.9 Cg_exo -49.41 143.72 19.87 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 122.914 2.41 . . . . 70.31 113.593 178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -52.48 -29.07 22.98 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 113.108 0.781 . . . . 74.44 113.108 -176.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . 0.53 ' HA ' ' HB3' ' A' ' 92' ' ' GLU . 4.4 mptp? -62.64 -22.47 66.45 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 112.571 0.582 . . . . 72.53 112.571 -179.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 63.3 t -63.12 -52.5 58.17 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.511 0 CA-C-O 120.976 0.417 . . . . 75.31 110.539 175.053 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -69.75 -23.62 63.4 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-N 116.242 -0.435 . . . . 63.45 111.176 176.321 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.53 ' HB3' ' HA ' ' A' ' 89' ' ' LYS . 44.8 tt0 -72.63 -33.69 66.81 Favored 'General case' 0 CA--C 1.542 0.661 0 CA-C-N 116.1 -0.5 . . . . 73.52 111.785 -178.721 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -110.16 -56.54 2.32 Favored 'General case' 0 N--CA 1.473 0.676 0 N-CA-C 112.49 0.552 . . . . 65.33 112.49 -179.52 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 5.1 tt -73.17 109.25 6.56 Favored 'General case' 0 CA--C 1.541 0.601 0 CA-C-O 121.191 0.519 . . . . 65.12 111.93 -170.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 72.48 51.36 12.66 Favored Glycine 0 CA--C 1.527 0.814 0 CA-C-N 115.793 -0.64 . . . . 75.14 114.465 174.14 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 46.9 t -65.97 138.93 22.09 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-N 117.206 0.503 . . . . 75.42 110.621 174.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -156.67 -51.94 0.08 Allowed 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 121.079 0.466 . . . . 72.1 111.896 -172.309 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 74.8 mt -110.82 104.79 13.45 Favored 'General case' 0 N--CA 1.471 0.624 0 CA-C-N 116.316 -0.402 . . . . 70.44 110.843 -179.142 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 39.1 tt0 -62.14 -69.78 0.23 Allowed 'General case' 0 CA--C 1.543 0.696 0 N-CA-C 113.035 0.754 . . . . 63.43 113.035 -174.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 95.7 m-70 61.38 81.72 0.19 Allowed 'General case' 0 N--CA 1.474 0.731 0 CA-C-O 121.074 0.464 . . . . 74.54 111.609 -172.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 19.0 p-80 -84.83 105.87 15.94 Favored 'General case' 0 CA--C 1.541 0.622 0 CA-C-O 121.369 0.604 . . . . 65.32 111.375 178.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -146.93 139.46 24.9 Favored 'General case' 0 N--CA 1.468 0.441 0 CA-C-N 116.308 -0.405 . . . . 73.52 110.753 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 38.7 m80 -134.21 146.38 50.06 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-O 120.964 0.412 . . . . 74.14 111.752 179.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 5.3 t60 61.5 -88.64 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.609 0 CA-C-N 115.752 -0.658 . . . . 52.04 112.345 175.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 56.6 t-80 . . . . . 0 C--O 1.248 0.999 0 CA-C-O 118.765 -0.636 . . . . 75.3 111.189 -177.324 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.623 ' SD ' ' N ' ' A' ' 1' ' ' MET . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.491 0 N-CA-C 112.269 0.47 . . . . 53.2 112.269 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -73.85 83.45 1.67 Allowed 'General case' 0 CA--C 1.542 0.666 0 O-C-N 121.801 -0.562 . . . . 74.45 110.646 174.543 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LEU . . . . . 0.579 ' HG ' HD22 ' A' ' 4' ' ' ASN . 2.5 pt? -64.45 -22.59 67.01 Favored 'General case' 0 N--CA 1.473 0.716 0 N-CA-C 113.137 0.792 . . . . 52.42 113.137 -174.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ASN . . . . . 0.579 HD22 ' HG ' ' A' ' 3' ' ' LEU . 0.8 OUTLIER -84.46 -11.45 56.15 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 122.061 -0.4 . . . . 72.21 111.664 177.112 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 36.0 mmt180 -107.22 -58.04 2.0 Allowed 'General case' 0 N--CA 1.471 0.616 0 CA-C-O 120.632 0.253 . . . . 51.55 111.658 179.57 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 64.6 mtt 64.01 175.42 0.18 Allowed 'General case' 0 N--CA 1.474 0.741 0 CA-C-O 121.417 0.627 . . . . 73.34 112.413 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 146.19 116.73 1.01 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.213 -0.518 . . . . 71.13 112.79 179.89 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 92.2 mttt -106.77 124.47 49.66 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 122.409 -0.465 . . . . 73.12 111.049 179.568 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -112.38 149.21 32.81 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-O 120.804 0.335 . . . . 70.11 111.861 -176.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.411 ' HG3' ' HE ' ' A' ' 66' ' ' ARG . 1.9 pm0 -114.75 132.98 56.27 Favored 'General case' 0 CA--C 1.54 0.576 0 CA-C-O 120.922 0.392 . . . . 64.12 110.673 170.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -105.09 126.32 51.95 Favored 'General case' 0 CA--C 1.537 0.472 0 O-C-N 122.269 -0.269 . . . . 75.52 110.961 -178.676 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 97.9 m-85 -88.08 99.86 12.5 Favored 'General case' 0 CA--C 1.537 0.443 0 CA-C-O 121.013 0.435 . . . . 74.2 110.491 175.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 31.0 m -121.5 150.07 24.66 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.52 0 CA-C-N 116.23 -0.441 . . . . 60.32 111.674 -177.005 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLN . . . . . 0.424 ' HA ' ' HA ' ' A' ' 64' ' ' PHE . 4.6 pt20 -97.57 134.79 40.31 Favored 'General case' 0 N--CA 1.468 0.47 0 CA-C-O 121.036 0.446 . . . . 62.4 111.215 178.556 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.415 ' HB ' ' HA ' ' A' ' 61' ' ' LYS . 47.3 mm -70.62 97.91 0.57 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.491 0 CA-C-O 121.207 0.527 . . . . 74.34 112.086 -177.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 69.7 p -82.34 -44.94 15.56 Favored 'General case' 0 N--CA 1.467 0.415 0 CA-C-N 116.059 -0.519 . . . . 75.32 111.461 176.631 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 35.3 m -89.67 139.77 16.94 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 116.254 -0.43 . . . . 61.11 111.586 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.3 p-10 -131.41 161.99 31.19 Favored 'General case' 0 N--CA 1.47 0.53 0 CA-C-O 120.805 0.336 . . . . 65.41 111.591 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 61.97 9.69 22.41 Favored Glycine 0 CA--C 1.527 0.822 0 N-CA-C 114.696 0.639 . . . . 51.14 114.696 173.827 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.494 ' HB3' ' O ' ' A' ' 36' ' ' GLU . 64.9 tttm -78.78 138.67 38.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 117.445 0.623 . . . . 63.53 109.998 -174.369 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -127.63 158.91 36.27 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 121.313 0.578 . . . . 74.53 112.016 -173.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 17.4 m -92.68 57.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.61 0 CA-C-O 121.286 0.565 . . . . 73.12 110.496 172.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' HIS . . . . . . . . . . . . . 8.9 t60 -55.77 -33.95 64.81 Favored 'General case' 0 N--CA 1.473 0.706 0 CA-C-O 121.768 0.795 . . . . 65.04 111.075 -177.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 42.7 t -149.0 10.69 0.8 Allowed 'General case' 0 C--N 1.314 -0.949 0 CA-C-N 114.577 -1.192 . . . . 62.12 110.428 175.582 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -99.38 3.63 45.99 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 115.942 -0.572 . . . . 73.23 111.812 -175.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -62.0 -87.53 0.01 OUTLIER 'General case' 0 CA--C 1.542 0.639 0 CA-C-N 116.518 -0.31 . . . . 71.52 111.829 -178.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -175.63 85.42 0.03 OUTLIER 'General case' 0 N--CA 1.471 0.623 0 CA-C-O 120.735 0.302 . . . . 73.24 110.893 176.811 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 46.53 27.96 0.7 Allowed 'General case' 0 N--CA 1.479 1.007 0 N-CA-C 113.422 0.897 . . . . 73.43 113.422 177.205 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . -159.53 60.06 0.31 Allowed Glycine 0 CA--C 1.522 0.493 0 C-N-CA 121.242 -0.504 . . . . 73.12 112.666 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 4.6 pt20 -68.47 86.2 0.29 Allowed 'General case' 0 CA--C 1.54 0.572 0 CA-C-O 121.712 0.768 . . . . 74.03 112.04 -177.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.586 ' HD2' ' O ' ' A' ' 31' ' ' LYS . 3.8 tmmm? -120.52 -14.14 8.7 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-O 121.834 0.826 . . . . 52.3 109.922 175.474 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -130.32 108.18 9.81 Favored 'General case' 0 CA--C 1.54 0.592 0 CA-C-N 115.022 -0.99 . . . . 75.11 111.377 -172.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.431 ' HB2' ' NZ ' ' A' ' 33' ' ' LYS . 10.0 mtmp? -88.15 69.19 9.22 Favored 'General case' 0 C--O 1.237 0.401 0 CA-C-O 121.083 0.468 . . . . 73.22 110.988 178.618 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 26.3 m-20 -86.59 166.9 15.04 Favored 'General case' 0 CA--C 1.536 0.41 0 CA-C-O 120.934 0.397 . . . . 70.03 110.878 175.73 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' TYR . . . . . . . . . . . . . 66.4 m-85 -86.8 156.39 19.92 Favored 'General case' 0 CA--C 1.535 0.402 0 CA-C-O 121.26 0.552 . . . . 62.41 112.126 -174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.494 ' O ' ' HB3' ' A' ' 20' ' ' LYS . 0.6 OUTLIER -154.32 138.8 16.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 72.24 110.918 -173.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 50.6 m-85 -129.76 102.06 6.16 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.366 -0.379 . . . . 63.33 110.796 -177.382 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.497 ' HG3' ' HB3' ' A' ' 52' ' ' GLU . 22.7 ttpp -94.19 120.22 34.13 Favored 'General case' 0 N--CA 1.469 0.488 0 CA-C-O 120.799 0.333 . . . . 73.15 111.034 177.609 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -147.41 161.6 40.7 Favored 'General case' 0 CA--C 1.542 0.635 0 CA-C-O 121.498 0.665 . . . . 62.41 112.221 -176.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' THR . . . . . 0.537 ' HA ' ' HA ' ' A' ' 50' ' ' GLU . 37.1 m -84.07 109.82 17.98 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 115.991 -0.55 . . . . 73.34 112.057 -178.161 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . -80.53 154.71 36.66 Favored Glycine 0 CA--C 1.526 0.738 0 C-N-CA 121.276 -0.488 . . . . 41.54 112.679 174.225 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PHE . . . . . . . . . . . . . 97.2 m-85 -121.89 126.52 48.87 Favored 'General case' 0 N--CA 1.469 0.496 0 CA-C-O 121.016 0.436 . . . . 75.02 111.594 -179.661 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.679 ' HB3' ' HB2' ' A' ' 47' ' ' LYS . 14.6 t70 -71.5 154.72 41.28 Favored 'General case' 0 CA--C 1.542 0.643 0 CA-C-N 115.955 -0.566 . . . . 73.24 111.121 179.346 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.419 ' O ' ' HG2' ' A' ' 93' ' ' LYS . 20.1 ptmt -56.79 -27.28 59.48 Favored 'General case' 0 N--CA 1.473 0.695 0 N-CA-C 113.092 0.775 . . . . 70.15 113.092 -176.027 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -87.4 0.68 55.12 Favored 'General case' 0 CA--C 1.545 0.76 0 CA-C-O 121.048 0.451 . . . . 72.05 111.76 -177.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLY . . . . . . . . . . . . . . . 90.63 46.59 3.96 Favored Glycine 0 CA--C 1.526 0.757 0 C-N-CA 121.299 -0.477 . . . . 63.33 112.58 -177.042 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.679 ' HB2' ' HB3' ' A' ' 43' ' ' ASP . 92.2 mttt -121.15 -179.6 4.09 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 122.501 0.32 . . . . 52.32 110.909 -178.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -109.38 160.96 15.74 Favored 'General case' 0 N--CA 1.472 0.648 0 N-CA-C 113.099 0.777 . . . . 73.33 113.099 -174.518 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.441 ' HD2' ' HA ' ' A' ' 49' ' ' LYS . 22.7 tptt -170.11 93.55 0.23 Allowed 'General case' 0 CA--C 1.54 0.57 0 CA-C-N 115.889 -0.596 . . . . 74.44 110.882 167.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . 0.537 ' HA ' ' HA ' ' A' ' 40' ' ' THR . 2.3 tm-20 -80.2 107.03 12.66 Favored 'General case' 0 CA--C 1.543 0.71 0 CA-C-N 116.168 -0.469 . . . . 42.04 110.628 -176.448 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 2.7 pp -138.6 175.22 9.75 Favored 'General case' 0 N--CA 1.473 0.685 0 N-CA-C 112.504 0.557 . . . . 55.01 112.504 -173.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLU . . . . . 0.497 ' HB3' ' HG3' ' A' ' 38' ' ' LYS . 0.4 OUTLIER -132.56 157.9 43.53 Favored 'General case' 0 N--CA 1.467 0.425 0 CA-C-O 120.904 0.383 . . . . 53.35 111.831 -179.147 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PHE . . . . . 0.432 ' CZ ' HD13 ' A' ' 65' ' ' LEU . 52.6 p90 -140.68 151.33 44.48 Favored 'General case' 0 N--CA 1.468 0.46 0 CA-C-N 116.228 -0.442 . . . . 62.23 110.808 173.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' THR . . . . . . . . . . . . . 74.2 p -108.71 140.26 42.36 Favored 'General case' 0 N--CA 1.47 0.56 0 N-CA-C 112.402 0.519 . . . . 72.42 112.402 -175.607 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -127.8 167.38 16.6 Favored 'General case' 0 CA--C 1.538 0.508 0 CA-C-N 115.831 -0.622 . . . . 64.43 110.857 178.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 52.9 tt0 -85.34 -47.94 9.53 Favored 'General case' 0 N--CA 1.469 0.512 0 CA-C-O 121.162 0.506 . . . . 75.25 111.062 -178.653 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.9 mtpt -126.57 163.77 22.69 Favored 'General case' 0 CA--C 1.535 0.367 0 CA-C-N 116.022 -0.535 . . . . 74.33 110.753 179.452 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 12.0 t-20 -62.46 118.9 8.16 Favored 'General case' 0 CA--C 1.544 0.729 0 CA-C-N 116.347 -0.388 . . . . 72.32 110.897 -177.226 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.1 pp -90.12 -172.3 3.44 Favored 'General case' 0 CA--C 1.543 0.7 0 CA-C-O 121.171 0.51 . . . . 74.03 112.186 -178.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -85.74 111.75 20.42 Favored 'General case' 0 CA--C 1.541 0.604 0 CA-C-O 121.086 0.469 . . . . 70.41 112.168 -173.872 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LYS . . . . . 0.415 ' HA ' ' HB ' ' A' ' 15' ' ' ILE . 21.4 ptmt -76.65 162.84 27.41 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-O 121.172 0.511 . . . . 55.41 112.122 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 34.7 tt0 64.29 7.99 3.89 Favored 'General case' 0 N--CA 1.476 0.869 0 CA-C-O 121.729 0.776 . . . . 72.54 111.485 -175.334 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -98.75 150.93 21.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.036 -0.529 . . . . 71.0 109.935 172.228 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PHE . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' GLN . 38.0 m-85 -82.39 156.54 24.12 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.007 0.432 . . . . 74.03 110.425 176.468 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.435 ' CD2' ' HB2' ' A' ' 78' ' ' TRP . 1.5 tt -145.68 126.82 14.7 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-O 121.331 0.586 . . . . 62.3 111.232 -173.211 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.411 ' HE ' ' HG3' ' A' ' 10' ' ' GLU . 63.5 ttt180 -81.35 92.42 6.4 Favored 'General case' 0 CA--C 1.539 0.531 0 CA-C-N 115.426 -0.807 . . . . 73.41 110.794 179.359 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 34.3 m -94.23 137.9 21.87 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.66 0 CA-C-O 121.708 0.766 . . . . 72.54 112.275 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 73.8 t80 -91.79 130.6 37.54 Favored 'General case' 0 CA--C 1.543 0.674 0 CA-C-N 114.857 -1.065 . . . . 65.42 112.189 -174.583 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' HIS . . . . . . . . . . . . . 10.4 t-160 -74.96 103.96 5.36 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 120.953 0.406 . . . . 72.43 111.605 -179.268 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 68.3 m -100.9 149.37 23.95 Favored 'General case' 0 N--CA 1.472 0.654 0 CA-C-N 116.452 -0.34 . . . . 71.31 111.653 177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 20.8 t70 -62.33 -41.85 98.9 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-N 116.119 -0.491 . . . . 75.11 111.734 -179.297 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -83.02 -0.08 47.22 Favored 'General case' 0 N--CA 1.471 0.595 0 CA-C-N 116.371 -0.377 . . . . 74.32 111.759 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.505 ' HB2' ' NZ ' ' A' ' 73' ' ' LYS . 0.1 OUTLIER 63.78 -161.78 0.28 Allowed 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 122.667 0.387 . . . . 73.1 110.129 -167.698 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 77.6 -17.63 5.3 Favored Glycine 0 CA--C 1.533 1.171 0 C-N-CA 120.589 -0.815 . . . . 61.24 113.499 -177.192 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 95.2 t 64.07 103.44 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.495 0.664 . . . . 74.04 112.577 176.032 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 38.1 t -74.67 -11.38 60.17 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 112.701 0.63 . . . . 73.1 112.701 -177.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ALA . . . . . . . . . . . . . . . -159.11 136.24 9.73 Favored 'General case' 0 N--CA 1.471 0.581 0 CA-C-O 120.79 0.328 . . . . 72.52 111.573 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' TRP . . . . . 0.435 ' HB2' ' CD2' ' A' ' 65' ' ' LEU . 64.1 p-90 -147.89 137.39 22.4 Favored 'General case' 0 CA--C 1.537 0.472 0 CA-C-O 121.001 0.429 . . . . 73.13 111.781 179.351 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -123.34 138.27 54.65 Favored 'General case' 0 N--CA 1.474 0.758 0 CA-C-N 116.362 -0.381 . . . . 72.43 111.255 179.531 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 32.1 tt0 -83.92 128.89 34.86 Favored 'General case' 0 CA--C 1.545 0.77 0 CA-C-N 116.525 -0.307 . . . . 72.3 110.648 -179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 m -129.52 146.02 34.82 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-O 121.592 0.71 . . . . 62.51 112.238 -177.363 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 46.7 mtmt -82.92 167.32 18.11 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 116.043 -0.526 . . . . 73.5 110.804 178.461 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' LYS . . . . . . . . . . . . . 3.7 mppt? -65.01 -33.31 75.74 Favored 'General case' 0 CA--C 1.539 0.536 0 CA-C-O 121.381 0.61 . . . . 62.35 109.978 172.378 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -61.83 -21.65 64.82 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-N 115.675 -0.693 . . . . 73.51 111.759 174.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -85.68 -0.4 55.05 Favored 'General case' 0 CA--C 1.54 0.578 0 N-CA-C 111.913 0.338 . . . . 65.41 111.913 -179.318 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 90.5 mt -97.32 123.52 52.39 Favored Pre-proline 0 CA--C 1.539 0.548 0 N-CA-C 112.099 0.407 . . . . 63.02 112.099 -176.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' PRO . . . . . . . . . . . . . 94.3 Cg_endo -80.69 156.3 21.17 Favored 'Trans proline' 0 CA--C 1.542 0.907 0 C-N-CA 122.262 1.974 . . . . 54.42 112.271 172.43 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ALA . . . . . . . . . . . . . . . -55.69 -23.41 28.41 Favored 'General case' 0 N--CA 1.473 0.679 0 CA-C-O 120.977 0.417 . . . . 42.23 111.733 178.742 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' LYS . . . . . . . . . . . . . 99.2 mttt -55.32 -24.64 29.96 Favored 'General case' 0 CA--C 1.541 0.606 0 N-CA-C 112.549 0.574 . . . . 74.32 112.549 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.51 -42.86 80.92 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.566 0 CA-C-O 121.38 0.61 . . . . 62.22 110.688 175.34 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -79.65 -16.21 56.18 Favored 'General case' 0 CA--C 1.539 0.547 0 CA-C-N 116.13 -0.486 . . . . 70.14 111.737 -178.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.479 ' C ' ' HD2' ' A' ' 93' ' ' LYS . 86.2 mt-10 -60.54 -20.16 59.42 Favored 'General case' 0 N--CA 1.475 0.795 0 CA-C-O 120.995 0.426 . . . . 72.45 111.012 171.404 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LYS . . . . . 0.505 ' HD2' ' N ' ' A' ' 93' ' ' LYS . 10.0 mptt -109.98 -45.59 3.6 Favored 'General case' 0 CA--C 1.537 0.458 0 CA-C-N 115.787 -0.642 . . . . 61.34 110.584 179.009 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.418 HD12 ' N ' ' A' ' 94' ' ' LEU . 6.6 mp -96.34 90.78 5.56 Favored 'General case' 0 CA--C 1.541 0.611 0 CA-C-N 116.405 -0.362 . . . . 73.02 111.257 177.402 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 122.61 -45.84 1.16 Allowed Glycine 0 CA--C 1.525 0.71 0 C-N-CA 121.147 -0.549 . . . . 74.15 113.322 179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.593 HG12 ' H ' ' A' ' 98' ' ' LEU . 26.2 t -113.95 152.56 15.61 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.631 0 C-N-CA 122.505 0.322 . . . . 75.52 110.836 179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 96' ' ' VAL . 0.3 OUTLIER -123.22 -3.29 8.49 Favored 'General case' 0 N--CA 1.478 0.969 0 N-CA-C 112.094 0.405 . . . . 74.43 112.094 175.55 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.593 ' H ' HG12 ' A' ' 96' ' ' VAL . 5.3 mp 58.41 101.19 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.796 0 CA-C-O 121.122 0.487 . . . . 53.41 111.316 -179.151 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -116.49 -42.52 3.0 Favored 'General case' 0 N--CA 1.471 0.606 0 N-CA-C 112.193 0.442 . . . . 61.35 112.193 -174.391 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -94.64 126.45 39.94 Favored 'General case' 0 CA--C 1.538 0.492 0 CA-C-O 120.765 0.317 . . . . 71.45 110.926 -176.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 38.3 t-80 -158.46 129.33 6.28 Favored 'General case' 0 CA--C 1.536 0.425 0 CA-C-N 116.478 -0.328 . . . . 70.42 111.813 -178.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' HIS . . . . . . . . . . . . . 26.3 p80 -118.29 175.49 5.67 Favored 'General case' 0 N--CA 1.467 0.412 0 CA-C-O 120.999 0.428 . . . . 51.32 111.024 175.411 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' HIS . . . . . . . . . . . . . 91.1 m-70 -99.89 169.31 9.31 Favored 'General case' 0 CA--C 1.539 0.555 0 CA-C-O 120.902 0.382 . . . . 53.4 111.495 -178.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' HIS . . . . . . . . . . . . . 33.8 m80 -85.78 114.33 22.64 Favored 'General case' 0 N--CA 1.468 0.468 0 CA-C-O 120.946 0.403 . . . . 62.03 110.849 175.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' HIS . . . . . . . . . . . . . 59.3 t-80 . . . . . 0 C--O 1.251 1.183 0 CA-C-O 118.577 -0.725 . . . . 64.54 111.291 -179.457 . . . . . . . . 0 0 . 1 stop_ save_