==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC RESISTANCE 31-DEC-11 4ADN . COMPND 2 MOLECULE: FAR1; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR X.GUO,K.PEISKER,K.BACKBRO,Y.CHEN,R.K.KIRAN,S.SANYAL,M.SELMER . 420 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23912.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 282 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 25 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 2 0 4 0 1 3 0 2 0 0 0 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 1 1 3 0 2 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 10 A M 0 0 236 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 125.8 46.4 52.3 64.7 2 11 A K - 0 0 73 1,-0.1 49,-0.1 79,-0.1 0, 0.0 -0.414 360.0-105.2 -66.0 136.9 46.7 51.1 61.1 3 12 A T - 0 0 44 47,-0.2 2,-0.4 -2,-0.1 -1,-0.1 -0.317 36.8-122.2 -56.4 143.6 48.0 47.6 60.6 4 13 A M - 0 0 148 -3,-0.1 2,-0.3 79,-0.1 79,-0.2 -0.812 33.3-177.7 -93.2 132.5 51.6 47.5 59.5 5 14 A I B -a 83 0A 4 77,-2.0 79,-2.3 -2,-0.4 43,-0.0 -0.895 26.2-108.9-124.9 160.0 52.3 45.8 56.2 6 15 A Y >> - 0 0 136 -2,-0.3 4,-1.7 77,-0.2 3,-0.9 -0.515 30.5-111.0 -83.5 154.3 55.6 45.1 54.3 7 16 A P H 3> S+ 0 0 7 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.865 118.0 55.8 -50.3 -41.1 56.5 46.8 51.1 8 17 A H H 3> S+ 0 0 29 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.825 104.8 52.9 -66.6 -28.2 56.1 43.6 49.1 9 18 A Q H <> S+ 0 0 46 -3,-0.9 4,-2.5 2,-0.2 -1,-0.2 0.888 108.3 49.8 -73.1 -36.7 52.6 43.2 50.4 10 19 A Y H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.929 110.0 51.2 -62.2 -44.2 51.8 46.7 49.2 11 20 A N H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.904 109.9 50.3 -61.1 -38.6 53.3 45.8 45.8 12 21 A Y H X S+ 0 0 70 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.928 109.3 50.0 -64.1 -45.9 51.1 42.7 45.8 13 22 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.932 111.3 48.8 -58.0 -47.3 47.9 44.7 46.6 14 23 A R H X S+ 0 0 57 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.928 110.2 53.6 -56.1 -45.9 48.7 47.2 43.8 15 24 A S H X S+ 0 0 46 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.932 110.9 43.2 -55.4 -53.1 49.3 44.2 41.4 16 25 A V H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.843 112.1 54.3 -68.0 -31.4 45.9 42.6 42.0 17 26 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.948 111.0 45.3 -65.2 -44.3 44.1 45.9 41.9 18 27 A L H X S+ 0 0 44 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.876 111.7 53.0 -69.0 -34.2 45.6 46.6 38.5 19 28 A R H X S+ 0 0 31 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.911 109.7 48.4 -64.1 -43.0 44.8 43.1 37.4 20 29 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.939 109.0 52.8 -62.6 -45.5 41.2 43.5 38.4 21 30 A K H X S+ 0 0 34 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.894 108.3 51.4 -59.1 -39.4 40.9 46.9 36.6 22 31 A N H X S+ 0 0 48 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.872 108.6 50.9 -66.5 -35.7 42.2 45.3 33.4 23 32 A V H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.928 110.4 49.6 -65.3 -43.3 39.6 42.5 33.7 24 33 A Y H < S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.922 117.1 42.5 -58.2 -43.1 36.8 45.1 34.2 25 34 A K H < S+ 0 0 121 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.870 130.4 16.8 -73.1 -39.1 38.1 47.0 31.1 26 35 A T H < S+ 0 0 48 -4,-2.5 2,-0.6 -5,-0.1 -3,-0.2 0.456 101.5 82.2-124.2 -5.1 38.8 44.2 28.7 27 36 A V < - 0 0 11 -4,-2.2 -1,-0.1 -5,-0.3 6,-0.1 -0.912 47.4-174.6-114.2 112.2 37.1 40.9 29.7 28 37 A N + 0 0 168 -2,-0.6 2,-0.6 4,-0.1 -1,-0.1 0.455 49.2 108.2 -85.3 -3.0 33.5 40.7 28.7 29 38 A D > - 0 0 66 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.668 56.0-154.9 -86.4 117.1 32.5 37.5 30.4 30 39 A K H > S+ 0 0 141 -2,-0.6 4,-2.1 1,-0.2 -1,-0.2 0.887 92.0 47.1 -57.9 -46.8 30.3 38.0 33.5 31 40 A E H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.856 111.1 52.3 -67.1 -35.3 31.2 34.9 35.4 32 41 A T H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.912 107.7 51.8 -65.7 -43.1 34.9 35.4 34.8 33 42 A V H X S+ 0 0 18 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.932 109.7 50.2 -57.3 -45.3 34.6 39.0 36.2 34 43 A K H X S+ 0 0 92 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.898 109.4 50.8 -60.9 -42.7 32.9 37.6 39.3 35 44 A V H X S+ 0 0 40 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.927 113.6 44.1 -60.5 -45.9 35.7 35.0 39.8 36 45 A I H X S+ 0 0 3 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.878 111.2 54.7 -69.4 -36.2 38.4 37.6 39.6 37 46 A Q H X S+ 0 0 31 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.951 112.2 43.2 -58.8 -50.6 36.4 40.0 41.8 38 47 A S H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.922 114.1 50.5 -61.9 -45.6 36.2 37.4 44.5 39 48 A E H X S+ 0 0 56 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.911 111.8 47.9 -59.4 -43.0 39.8 36.3 44.1 40 49 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 5,-0.3 0.908 109.4 52.3 -65.6 -43.8 40.9 40.0 44.4 41 50 A Y H X S+ 0 0 87 -4,-2.4 4,-2.7 -5,-0.2 -1,-0.2 0.936 114.5 43.5 -57.4 -47.7 38.8 40.6 47.4 42 51 A N H X S+ 0 0 61 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.897 109.1 57.0 -63.9 -43.1 40.4 37.5 49.1 43 52 A D H < S+ 0 0 10 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.885 116.9 34.9 -55.4 -42.7 43.9 38.4 47.9 44 53 A I H >X S+ 0 0 0 -4,-2.2 3,-1.7 2,-0.1 4,-0.6 0.924 115.3 54.1 -78.6 -48.2 43.7 41.8 49.6 45 54 A N H >< S+ 0 0 51 -4,-2.7 3,-0.9 -5,-0.3 -2,-0.2 0.843 102.3 58.9 -55.5 -38.3 41.7 40.8 52.7 46 55 A E T 3< S+ 0 0 148 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.1 0.589 92.3 69.2 -73.5 -9.3 44.1 38.0 53.6 47 56 A I T <4 S+ 0 0 27 -3,-1.7 2,-0.4 -4,-0.2 -1,-0.2 0.835 94.5 61.7 -74.9 -28.9 47.0 40.4 54.0 48 57 A F << - 0 0 12 -3,-0.9 3,-0.2 -4,-0.6 -43,-0.1 -0.770 64.4-154.5-102.6 132.8 45.6 42.1 57.1 49 58 A G S S+ 0 0 76 -2,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.932 98.0 20.8 -64.0 -17.3 44.8 40.3 60.5 50 59 A H S S- 0 0 152 -3,-0.1 2,-0.4 -4,-0.0 -1,-0.3 -0.999 73.8-154.9-161.7 107.6 42.4 43.0 60.8 51 60 A I - 0 0 61 -2,-0.3 2,-0.1 -3,-0.2 -6,-0.0 -0.864 17.8-153.4 -99.7 137.8 40.7 45.2 58.2 52 61 A D > - 0 0 45 -2,-0.4 4,-2.1 -49,-0.0 5,-0.1 -0.320 36.2 -85.9 -98.2-175.0 39.4 48.6 59.3 53 62 A D H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.835 124.9 54.7 -63.9 -35.5 36.6 50.8 58.0 54 63 A D H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.909 110.0 45.8 -65.7 -42.2 38.9 52.5 55.4 55 64 A I H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.896 110.0 55.2 -67.3 -38.2 39.9 49.2 53.9 56 65 A E H X S+ 0 0 123 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.926 110.6 45.6 -58.6 -44.4 36.3 48.0 53.9 57 66 A E H X S+ 0 0 93 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 111.2 52.1 -65.2 -41.5 35.3 51.1 51.9 58 67 A S H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.929 109.6 49.8 -61.6 -44.2 38.3 50.6 49.5 59 68 A L H X S+ 0 0 2 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.889 108.7 52.7 -61.5 -40.0 37.2 47.0 48.9 60 69 A K H < S+ 0 0 150 -4,-1.9 4,-0.4 -5,-0.2 -1,-0.2 0.944 111.0 46.3 -60.3 -45.9 33.6 48.1 48.2 61 70 A V H >< S+ 0 0 32 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.901 111.8 52.1 -64.0 -40.6 34.9 50.6 45.6 62 71 A L H 3< S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 103.1 58.9 -64.7 -31.1 37.1 48.0 44.1 63 72 A M T 3< S+ 0 0 49 -4,-1.8 2,-0.5 -3,-0.2 -1,-0.2 0.498 84.9 95.6 -80.8 -3.4 34.2 45.5 43.8 64 73 A N S X S- 0 0 87 -3,-1.2 3,-2.0 -4,-0.4 -3,-0.0 -0.761 74.1-140.6 -88.1 129.3 32.2 47.9 41.6 65 74 A I T 3 S+ 0 0 111 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.663 100.2 65.8 -66.0 -12.4 32.7 47.2 37.9 66 75 A R T 3 S+ 0 0 206 -5,-0.1 -1,-0.3 2,-0.0 -4,-0.1 0.282 71.4 151.0 -92.3 10.7 32.7 51.0 37.3 67 76 A L < - 0 0 7 -3,-2.0 2,-0.2 -5,-0.2 -5,-0.1 -0.159 32.3-152.1 -40.1 128.5 36.0 51.3 39.2 68 77 A S > - 0 0 41 1,-0.1 4,-2.4 0, 0.0 5,-0.1 -0.676 26.1-114.0-110.5 161.4 37.9 54.2 37.8 69 78 A N H > S+ 0 0 32 -2,-0.2 4,-2.4 2,-0.2 5,-0.2 0.896 118.5 52.8 -53.1 -45.9 41.6 55.2 37.5 70 79 A K H > S+ 0 0 147 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.903 109.0 49.3 -60.7 -41.6 41.0 58.1 39.9 71 80 A E H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 109.8 51.6 -64.8 -41.2 39.5 55.7 42.4 72 81 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.922 107.3 52.7 -59.6 -45.2 42.4 53.4 42.1 73 82 A E H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 110.7 47.4 -56.2 -46.6 44.9 56.2 42.7 74 83 A A H X S+ 0 0 51 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.887 113.2 48.2 -63.7 -40.7 43.1 57.2 45.9 75 84 A I H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.903 110.4 50.2 -69.5 -41.3 43.0 53.6 47.1 76 85 A L H X S+ 0 0 1 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.934 110.3 51.4 -61.6 -42.6 46.7 53.0 46.3 77 86 A N H X S+ 0 0 82 -4,-2.4 4,-0.6 -5,-0.2 -1,-0.2 0.865 110.3 49.5 -62.6 -35.9 47.5 56.1 48.2 78 87 A K H >< S+ 0 0 60 -4,-1.7 3,-1.0 1,-0.2 4,-0.3 0.927 110.2 49.1 -67.2 -46.4 45.4 54.9 51.2 79 88 A F H >< S+ 0 0 2 -4,-2.7 3,-1.6 1,-0.2 4,-0.4 0.823 101.3 64.8 -64.2 -29.4 47.1 51.5 51.2 80 89 A L H >< S+ 0 0 17 -4,-2.0 3,-1.2 1,-0.3 -1,-0.2 0.795 89.0 68.3 -64.8 -26.0 50.5 53.1 51.1 81 90 A E T << S+ 0 0 123 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.696 95.3 56.8 -66.3 -18.3 49.8 54.6 54.6 82 91 A Y T < S+ 0 0 8 -3,-1.6 -77,-2.0 -4,-0.3 -1,-0.3 0.638 85.6 105.9 -86.1 -16.3 50.0 51.1 56.0 83 92 A V B < -a 5 0A 14 -3,-1.2 -77,-0.2 -4,-0.4 33,-0.1 -0.439 60.6-147.2 -77.8 134.3 53.5 50.4 54.8 84 93 A V - 0 0 66 -79,-2.3 3,-0.1 -2,-0.2 -1,-0.1 -0.893 32.1-133.3 -90.9 113.8 56.5 50.3 57.0 85 94 A P - 0 0 62 0, 0.0 30,-0.3 0, 0.0 29,-0.1 -0.257 24.5 -89.0 -70.4 155.2 59.3 51.5 54.7 86 95 A F - 0 0 17 28,-2.7 2,-0.7 31,-0.2 32,-0.1 -0.393 43.7-131.8 -56.7 134.0 62.7 49.9 54.3 87 96 A E - 0 0 123 -3,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 -0.850 12.1-138.1 -98.1 111.6 65.1 51.4 56.9 88 97 A L - 0 0 60 -2,-0.7 2,-0.0 1,-0.1 6,-0.0 -0.469 27.2-119.4 -65.1 134.1 68.4 52.5 55.4 89 98 A P - 0 0 15 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.341 25.7-102.2 -73.2 156.0 71.3 51.5 57.8 90 99 A S > - 0 0 30 1,-0.1 4,-2.8 -2,-0.0 5,-0.2 -0.336 36.7-106.0 -67.4 159.0 73.6 54.0 59.4 91 100 A P H > S+ 0 0 97 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.877 121.4 52.3 -56.7 -39.9 77.1 54.4 57.9 92 101 A Q H > S+ 0 0 142 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.870 112.2 44.7 -66.3 -36.5 78.6 52.5 60.9 93 102 A K H > S+ 0 0 71 -3,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.892 113.3 50.9 -71.9 -40.0 76.2 49.5 60.5 94 103 A L H >X S+ 0 0 8 -4,-2.8 4,-1.6 1,-0.2 3,-0.6 0.907 109.5 49.8 -62.5 -42.9 76.7 49.5 56.7 95 104 A Q H 3< S+ 0 0 64 -4,-2.4 -1,-0.2 1,-0.2 6,-0.2 0.807 104.8 58.6 -67.2 -30.1 80.5 49.4 57.0 96 105 A K H >< S+ 0 0 150 -4,-1.2 3,-0.5 1,-0.2 -1,-0.2 0.770 106.8 48.8 -69.0 -25.8 80.2 46.5 59.5 97 106 A V H << S+ 0 0 39 -4,-1.0 -2,-0.2 -3,-0.6 2,-0.2 0.809 120.7 34.8 -83.1 -33.1 78.4 44.6 56.8 98 107 A F T >< S+ 0 0 8 -4,-1.6 3,-1.6 1,-0.1 -1,-0.2 -0.503 74.0 159.5-116.1 61.8 81.0 45.4 54.1 99 108 A K T < S+ 0 0 166 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.768 72.9 48.3 -57.8 -31.0 84.1 45.3 56.4 100 109 A K T 3 S+ 0 0 194 -3,-0.1 2,-0.8 1,-0.1 -1,-0.3 0.557 92.6 87.0 -89.1 -8.5 86.5 44.8 53.5 101 110 A V S X S- 0 0 19 -3,-1.6 3,-0.9 -6,-0.2 2,-0.2 -0.811 71.2-149.9 -96.8 104.6 85.1 47.5 51.3 102 111 A K T 3 S+ 0 0 175 -2,-0.8 -2,-0.1 1,-0.2 -3,-0.0 -0.490 74.2 7.2 -75.8 139.5 86.7 50.9 52.1 103 112 A K T 3 S+ 0 0 198 1,-0.2 -1,-0.2 -2,-0.2 -8,-0.0 0.485 84.1 172.4 75.7 3.8 84.7 54.1 51.7 104 113 A I < + 0 0 24 -3,-0.9 2,-0.3 -6,-0.2 -1,-0.2 -0.074 3.6 175.7 -50.3 143.4 81.5 52.3 50.8 105 114 A K - 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C 0 141B 48 -17,-0.5 6,-0.2 -2,-0.3 -2,-0.0 -0.957 31.4-136.0-115.0 138.4 67.1 42.5 56.6 136 145 A D > - 0 0 21 4,-2.0 3,-2.4 -2,-0.4 6,-0.0 -0.161 40.7 -84.4 -80.2-177.1 66.5 38.8 57.3 137 146 A E T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.627 132.7 55.7 -67.1 -12.7 63.5 37.3 59.0 138 147 A K T 3 S- 0 0 165 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.264 119.7-113.0 -99.5 9.0 65.2 38.1 62.4 139 148 A K < + 0 0 161 -3,-2.4 2,-0.4 1,-0.2 -2,-0.1 0.735 67.0 147.9 66.5 26.5 65.5 41.8 61.3 140 149 A Q - 0 0 111 1,-0.0 -4,-2.0 0, 0.0 -1,-0.2 -0.775 53.3-113.0 -91.8 134.2 69.3 41.6 61.1 141 150 A L E -C 135 0B 32 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.469 40.9-178.6 -65.9 129.4 71.0 43.8 58.5 142 151 A K E -C 134 0B 84 -8,-3.5 -8,-2.3 -2,-0.2 2,-0.3 -0.926 5.2-176.4-127.8 155.6 72.6 41.7 55.8 143 152 A G E +C 133 0B 26 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.2 -0.998 8.6 164.6-151.9 151.6 74.7 42.6 52.8 144 153 A L E -C 132 0B 13 -12,-2.3 -12,-3.0 -2,-0.3 2,-0.3 -0.960 13.2-157.8-151.6 166.3 76.4 41.1 49.7 145 154 A Y E +C 131 0B 88 -2,-0.3 27,-0.4 -14,-0.2 2,-0.3 -0.967 11.8 173.4-142.2 163.2 77.9 42.1 46.4 146 155 A G E -C 130 0B 4 -16,-1.7 -16,-2.1 -2,-0.3 2,-0.4 -0.960 41.9 -81.5-156.2 169.5 78.7 40.3 43.2 147 156 A E E -CD 129 170B 102 23,-2.2 23,-2.6 -2,-0.3 2,-0.6 -0.678 38.6-155.9 -79.8 131.7 79.8 41.1 39.7 148 157 A I E - 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0 0 7 -4,-2.2 2,-1.4 -5,-0.3 -1,-0.1 -0.869 52.0-168.7-113.8 103.9 43.9 31.7 39.4 243 37 B N + 0 0 145 -2,-0.7 2,-0.3 -3,-0.1 -4,-0.1 -0.510 48.6 109.5 -93.2 66.9 42.6 28.3 40.3 244 38 B D > - 0 0 61 -2,-1.4 4,-2.4 1,-0.1 3,-0.2 -0.907 55.2-152.7-141.8 112.9 39.4 28.2 38.4 245 39 B K H > S+ 0 0 145 -2,-0.3 4,-1.9 1,-0.2 -1,-0.1 0.853 93.6 45.0 -55.4 -46.8 39.2 25.8 35.4 246 40 B E H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 111.6 52.4 -70.6 -35.4 36.5 27.8 33.4 247 41 B T H > S+ 0 0 2 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.919 107.9 52.4 -65.3 -44.0 38.2 31.1 34.0 248 42 B V H X S+ 0 0 20 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.931 109.2 49.8 -54.9 -46.2 41.5 29.8 32.7 249 43 B K H X S+ 0 0 114 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.880 109.9 51.0 -63.4 -37.8 39.7 28.5 29.6 250 44 B V H X S+ 0 0 40 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.930 112.9 44.7 -64.7 -45.1 38.1 31.9 29.0 251 45 B I H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.878 111.9 53.7 -69.3 -35.9 41.4 33.7 29.4 252 46 B Q H X S+ 0 0 32 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.953 111.9 44.4 -59.3 -48.5 43.1 31.1 27.1 253 47 B S H X S+ 0 0 67 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.907 113.7 49.7 -67.7 -40.8 40.6 31.6 24.4 254 48 B E H X S+ 0 0 62 -4,-2.5 4,-3.2 2,-0.2 -1,-0.2 0.924 111.6 48.9 -61.8 -44.8 40.6 35.4 24.7 255 49 B T H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.917 110.5 50.3 -61.6 -44.5 44.5 35.4 24.6 256 50 B Y H X S+ 0 0 89 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.932 115.2 43.8 -58.9 -47.1 44.5 33.2 21.5 257 51 B N H X S+ 0 0 65 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.900 109.5 56.0 -67.0 -43.0 42.0 35.5 19.8 258 52 B D H X S+ 0 0 10 -4,-3.2 4,-0.8 -5,-0.2 -1,-0.2 0.917 115.7 38.0 -52.5 -48.2 43.8 38.7 20.9 259 53 B I H >X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 3,-0.7 0.933 115.0 50.9 -75.2 -47.1 47.0 37.5 19.2 260 54 B N H 3X S+ 0 0 48 -4,-2.7 4,-3.0 -5,-0.3 -2,-0.2 0.900 108.0 54.6 -57.0 -39.9 45.5 35.9 16.2 261 55 B E H 3< S+ 0 0 145 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.715 102.9 56.1 -70.0 -24.8 43.5 39.0 15.4 262 56 B I H << S+ 0 0 32 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.895 117.3 34.4 -71.4 -42.2 46.5 41.2 15.4 263 57 B F H < S- 0 0 13 -4,-1.6 2,-2.4 1,-0.2 -2,-0.2 0.953 72.1-180.0 -78.2 -50.4 48.3 39.2 12.8 264 58 B G S < S+ 0 0 55 -4,-3.0 2,-0.7 -5,-0.2 -1,-0.2 -0.456 77.3 55.9 76.5 -66.9 45.4 38.0 10.6 265 59 B H S S+ 0 0 153 -2,-2.4 -47,-0.2 -3,-0.1 2,-0.1 -0.872 79.4 177.2 -93.8 112.7 47.9 36.2 8.5 266 60 B I - 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0 0 7 -3,-2.2 2,-0.2 -5,-0.2 -5,-0.1 -0.190 32.4-153.6 -47.7 131.1 53.7 27.5 30.0 283 77 B S > - 0 0 24 1,-0.1 4,-2.2 0, 0.0 5,-0.1 -0.684 26.3-114.6-110.9 162.5 57.1 28.5 31.4 284 78 B N H > S+ 0 0 37 -2,-0.2 4,-2.6 2,-0.2 5,-0.2 0.896 117.4 53.4 -56.4 -44.0 59.0 31.7 31.8 285 79 B K H > S+ 0 0 145 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.914 109.6 47.8 -60.9 -42.9 61.7 30.4 29.4 286 80 B E H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.883 110.5 52.8 -65.5 -39.5 59.1 29.6 26.8 287 81 B I H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.937 107.7 49.6 -61.8 -48.2 57.5 33.0 27.2 288 82 B E H X S+ 0 0 20 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.907 111.1 50.8 -58.5 -40.3 60.9 34.8 26.7 289 83 B A H X S+ 0 0 61 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.904 111.5 47.7 -62.3 -42.7 61.5 32.7 23.5 290 84 B I H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 109.9 51.7 -67.3 -41.0 58.0 33.6 22.2 291 85 B L H X S+ 0 0 0 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.916 109.5 50.7 -61.5 -41.3 58.5 37.3 22.9 292 86 B N H X S+ 0 0 75 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.883 110.4 49.5 -63.1 -39.5 61.8 37.2 21.0 293 87 B K H >< S+ 0 0 51 -4,-1.9 3,-1.3 1,-0.2 4,-0.3 0.944 111.4 48.0 -62.5 -49.4 60.1 35.5 18.0 294 88 B F H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 4,-0.3 0.813 101.3 65.4 -64.4 -28.7 57.3 38.1 17.9 295 89 B L H >< S+ 0 0 13 -4,-1.8 3,-1.2 1,-0.3 -1,-0.3 0.788 90.0 67.3 -62.2 -26.7 59.8 40.9 18.2 296 90 B E T << S+ 0 0 102 -3,-1.3 -1,-0.3 -4,-0.7 -2,-0.2 0.682 95.7 56.3 -67.3 -18.5 61.0 39.8 14.8 297 91 B Y T < S+ 0 0 5 -3,-1.6 -77,-2.2 -4,-0.3 2,-0.3 0.561 85.6 106.1 -88.4 -12.0 57.7 40.9 13.2 298 92 B V B < -g 220 0C 13 -3,-1.2 -77,-0.2 -4,-0.3 -79,-0.1 -0.519 61.0-146.6 -80.5 135.0 57.8 44.5 14.5 299 93 B V - 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