==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-JAN-10 3L92 . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: YERSINIA PESTIS; . AUTHOR J.OSIPIUK,N.MALTSEVA,M.MAKOWSKA-GRZYSKA,K.KWON,W.F.ANDERSON, . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9081.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.6 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 . 9 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 35.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 1 0 1 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 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 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 1 A M 0 0 203 0, 0.0 2,-0.5 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 133.8 21.8 30.7 59.7 2 2 A I - 0 0 125 27,-0.1 2,-0.5 28,-0.0 27,-0.1 -0.937 360.0-168.7-126.1 123.1 20.3 29.9 56.2 3 3 A T - 0 0 23 -2,-0.5 28,-1.7 25,-0.1 27,-0.7 -0.900 2.2-170.0-110.5 125.9 18.2 27.0 55.1 4 4 A K E -a 31 0A 52 -2,-0.5 80,-2.1 26,-0.2 81,-1.3 -0.970 17.5-169.4-113.9 114.9 17.5 26.4 51.5 5 5 A A E -ab 32 85A 0 26,-3.1 28,-2.9 -2,-0.6 2,-0.4 -0.722 14.1-151.3-109.0 150.3 14.8 23.7 51.3 6 6 A I E -ab 33 86A 1 79,-2.3 81,-2.8 -2,-0.3 28,-0.2 -0.984 3.0-165.8-117.5 133.9 13.5 21.8 48.3 7 7 A Y E -a 34 0A 11 26,-3.4 28,-1.9 -2,-0.4 2,-0.3 -0.898 23.1-171.4-119.3 93.4 9.9 20.5 48.2 8 8 A P E +a 35 0A 10 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.611 20.3 123.4 -96.7 149.2 10.0 18.0 45.3 9 9 A G E -a 36 0A 16 26,-2.1 28,-2.6 -2,-0.3 -2,-0.0 -0.973 65.8-102.0-179.7 174.3 7.1 16.2 43.7 10 10 A T - 0 0 41 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.738 42.2-163.8 -87.5 -25.0 5.4 15.6 40.4 11 11 A F > - 0 0 7 2,-0.2 3,-0.7 1,-0.2 44,-0.1 0.880 9.2-175.9 43.7 61.1 2.6 18.1 41.3 12 12 A D T 3 S- 0 0 19 1,-0.7 33,-0.2 33,-0.0 -1,-0.2 -0.647 85.4 -9.6-124.2 69.2 0.3 16.8 38.6 13 13 A P T 3 S- 0 0 2 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.619 91.8-115.6-101.8 174.7 -1.5 19.1 39.5 14 14 A I < - 0 0 1 -3,-0.7 2,-0.2 37,-0.2 136,-0.0 -0.427 40.3-161.2 -56.2 135.3 -0.6 21.1 42.6 15 15 A T > - 0 0 8 131,-0.1 4,-2.2 -2,-0.1 131,-0.2 -0.558 35.5 -98.2-115.5 176.9 -3.4 20.5 45.2 16 16 A N H > S+ 0 0 20 129,-2.3 4,-2.0 1,-0.2 130,-0.1 0.790 124.5 58.8 -68.6 -27.4 -4.5 22.4 48.4 17 17 A G H > S+ 0 0 10 128,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.901 107.2 44.8 -61.1 -49.2 -2.5 19.8 50.4 18 18 A H H > S+ 0 0 46 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.886 111.8 53.6 -60.9 -41.3 0.7 20.8 48.5 19 19 A L H X S+ 0 0 49 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.923 108.0 49.5 -62.3 -43.1 -0.2 24.5 49.0 20 20 A D H X S+ 0 0 34 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.941 114.0 45.9 -58.8 -46.5 -0.6 23.9 52.8 21 21 A L H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.936 113.9 46.4 -68.1 -42.9 2.8 22.2 53.0 22 22 A V H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 -1,-0.2 0.887 111.0 53.6 -67.7 -32.7 4.7 24.7 50.9 23 23 A T H X S+ 0 0 59 -4,-2.2 4,-1.4 -5,-0.3 -1,-0.2 0.936 112.4 44.4 -65.9 -43.4 3.1 27.6 52.8 24 24 A R H X S+ 0 0 80 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.912 113.2 49.4 -67.0 -41.7 4.3 26.1 56.0 25 25 A A H >X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 3,-0.6 0.930 107.6 56.9 -61.5 -41.4 7.8 25.3 54.6 26 26 A S H 3< S+ 0 0 17 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.855 105.6 50.7 -54.7 -37.4 7.9 29.0 53.4 27 27 A A H 3< S+ 0 0 89 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.798 116.3 40.4 -75.3 -27.7 7.3 30.2 57.0 28 28 A M H << S+ 0 0 102 -4,-1.2 2,-0.3 -3,-0.6 -2,-0.2 0.756 108.7 53.6 -92.4 -30.5 10.1 28.0 58.4 29 29 A F S < S- 0 0 30 -4,-2.2 3,-0.1 -5,-0.1 -25,-0.1 -0.737 75.5-123.4-114.2 159.2 13.0 28.2 55.9 30 30 A S S S+ 0 0 64 -27,-0.7 2,-0.3 -2,-0.3 -26,-0.2 0.897 96.2 4.4 -64.8 -44.6 14.9 31.0 54.3 31 31 A H E -a 4 0A 52 -28,-1.7 -26,-3.1 -6,-0.0 2,-0.4 -0.996 64.8-160.7-143.6 141.7 14.1 29.9 50.8 32 32 A V E -ac 5 65A 0 32,-2.8 34,-2.8 -2,-0.3 2,-0.6 -0.992 5.3-158.2-125.7 126.3 12.0 27.1 49.3 33 33 A I E -ac 6 66A 0 -28,-2.9 -26,-3.4 -2,-0.4 2,-0.9 -0.928 9.6-153.1 -94.1 122.7 12.3 25.6 45.9 34 34 A L E -ac 7 67A 0 32,-2.9 34,-2.3 -2,-0.6 2,-0.6 -0.878 25.2-160.3 -91.3 106.4 9.0 23.9 44.9 35 35 A A E -ac 8 68A 0 -28,-1.9 -26,-2.1 -2,-0.9 2,-0.7 -0.875 9.6-158.0-103.0 119.9 10.7 21.4 42.5 36 36 A I E -ac 9 69A 0 32,-2.7 34,-2.6 -2,-0.6 2,-0.3 -0.825 12.1-141.8-103.5 113.4 8.6 19.7 39.9 37 37 A A E - c 0 70A 20 -28,-2.6 34,-0.2 -2,-0.7 32,-0.0 -0.525 11.5-135.8 -74.7 137.2 10.0 16.5 38.5 38 38 A D - 0 0 51 32,-2.8 -1,-0.1 -2,-0.3 33,-0.1 0.940 31.2-177.7 -53.2 -48.8 9.5 15.9 34.8 39 39 A S > + 0 0 20 31,-0.2 3,-1.5 1,-0.1 4,-0.1 0.824 11.5 165.7 52.5 40.5 8.5 12.3 35.8 40 40 A S G > S+ 0 0 82 1,-0.3 3,-1.5 2,-0.2 -1,-0.1 0.849 70.9 53.4 -52.7 -42.5 8.1 11.4 32.1 41 41 A S G 3 S+ 0 0 101 1,-0.3 -1,-0.3 2,-0.1 -2,-0.1 0.673 101.0 61.9 -72.7 -15.4 8.0 7.7 32.7 42 42 A K G < S- 0 0 136 -3,-1.5 -1,-0.3 -4,-0.0 -2,-0.2 0.317 106.0-128.4 -92.2 7.4 5.2 8.2 35.3 43 43 A K < - 0 0 169 -3,-1.5 -3,-0.1 -4,-0.1 -2,-0.1 0.889 26.8-155.9 48.7 64.6 2.8 9.6 32.6 44 44 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.294 17.2-135.9 -68.2 152.3 1.6 12.9 34.1 45 45 A M S S+ 0 0 41 -33,-0.2 2,-0.3 2,-0.1 -2,-0.0 0.863 90.8 51.1 -69.3 -42.1 -1.7 14.4 33.0 46 46 A F S S- 0 0 5 1,-0.1 108,-0.0 2,-0.0 -1,-0.0 -0.799 91.3-114.1 -99.8 143.3 -0.2 17.9 32.7 47 47 A T > - 0 0 75 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.251 33.2-107.2 -66.8 162.2 3.0 18.8 30.8 48 48 A L H > S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 122.5 50.7 -54.8 -44.3 5.9 20.1 32.9 49 49 A D H > S+ 0 0 130 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 110.0 49.5 -63.8 -40.3 5.3 23.6 31.6 50 50 A E H > S+ 0 0 75 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 112.5 47.8 -63.3 -41.4 1.7 23.4 32.5 51 51 A R H X S+ 0 0 6 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.879 111.2 50.0 -66.2 -39.3 2.5 22.2 36.0 52 52 A V H X S+ 0 0 20 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.925 110.9 50.3 -64.6 -43.4 5.2 24.9 36.5 53 53 A A H X S+ 0 0 54 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.925 112.0 47.0 -64.4 -43.5 2.7 27.6 35.4 54 54 A L H X S+ 0 0 15 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.930 112.3 49.3 -61.6 -47.2 -0.0 26.3 37.8 55 55 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.868 109.2 53.1 -62.3 -39.2 2.4 26.1 40.8 56 56 A K H X S+ 0 0 123 -4,-2.6 4,-0.9 2,-0.2 -1,-0.2 0.910 110.0 47.9 -59.5 -42.3 3.7 29.7 40.1 57 57 A K H < S+ 0 0 145 -4,-2.0 3,-0.4 1,-0.2 -2,-0.2 0.918 115.5 44.1 -63.2 -43.3 0.1 31.0 40.2 58 58 A V H < S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.827 119.8 40.2 -75.8 -32.6 -0.7 29.2 43.4 59 59 A T H >< S+ 0 0 6 -4,-2.3 3,-2.2 -5,-0.2 6,-0.2 0.461 81.6 108.5 -96.0 3.5 2.6 30.0 45.2 60 60 A A T 3< S+ 0 0 77 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.1 0.795 74.1 55.9 -50.0 -41.4 2.8 33.7 43.9 61 61 A P T 3 S+ 0 0 108 0, 0.0 2,-0.9 0, 0.0 -1,-0.3 0.682 88.0 89.0 -66.5 -15.5 2.0 35.2 47.4 62 62 A L X - 0 0 30 -3,-2.2 3,-1.7 1,-0.2 -3,-0.0 -0.740 63.7-165.4 -91.3 101.8 4.9 33.3 49.0 63 63 A K T 3 S+ 0 0 213 -2,-0.9 -1,-0.2 1,-0.3 -4,-0.0 0.784 84.3 44.4 -55.0 -40.2 8.0 35.6 48.6 64 64 A N T 3 S+ 0 0 34 -35,-0.1 -32,-2.8 -38,-0.1 2,-0.4 0.184 92.1 100.7-103.0 19.1 10.7 33.1 49.4 65 65 A V E < -c 32 0A 19 -3,-1.7 2,-0.4 -6,-0.2 -32,-0.2 -0.883 48.2-172.0-103.8 131.9 9.2 30.3 47.2 66 66 A E E -c 33 0A 71 -34,-2.8 -32,-2.9 -2,-0.4 2,-0.5 -0.992 12.9-146.4-122.6 131.0 10.7 29.6 43.8 67 67 A V E +c 34 0A 13 -2,-0.4 2,-0.4 -34,-0.2 -32,-0.2 -0.852 25.1 169.0 -99.4 124.4 9.1 27.0 41.4 68 68 A L E -c 35 0A 46 -34,-2.3 -32,-2.7 -2,-0.5 2,-0.3 -0.999 25.6-142.7-136.8 134.1 11.5 25.1 39.1 69 69 A G E -c 36 0A 31 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.649 25.2-176.4 -87.1 150.5 10.9 22.1 36.8 70 70 A F E -c 37 0A 12 -34,-2.6 -32,-2.8 -2,-0.3 -31,-0.2 -0.990 27.9-171.8-149.7 147.2 13.7 19.5 36.6 71 71 A S + 0 0 101 -2,-0.3 3,-0.1 -34,-0.2 -34,-0.1 0.341 64.4 81.4-113.5 -0.7 14.4 16.3 34.8 72 72 A E S S- 0 0 75 1,-0.2 2,-0.2 2,-0.1 -34,-0.1 -0.283 96.8 -55.2 -97.2-172.1 17.5 15.0 36.5 73 73 A L > - 0 0 91 1,-0.1 4,-2.5 -2,-0.1 3,-0.4 -0.424 48.4-133.4 -55.7 127.5 18.3 13.1 39.7 74 74 A M H > S+ 0 0 27 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.906 107.2 53.7 -53.9 -46.4 16.6 15.0 42.5 75 75 A A H > S+ 0 0 2 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.882 109.4 49.0 -55.5 -39.1 19.8 14.7 44.6 76 76 A E H > S+ 0 0 114 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.917 110.6 50.2 -68.8 -42.4 21.8 16.3 41.7 77 77 A F H X S+ 0 0 6 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.923 110.8 49.7 -60.4 -45.0 19.3 19.1 41.3 78 78 A A H <>S+ 0 0 0 -4,-2.9 5,-3.1 2,-0.2 -1,-0.2 0.872 110.8 49.0 -61.8 -40.5 19.5 19.8 45.1 79 79 A K H ><5S+ 0 0 113 -4,-1.8 3,-1.8 3,-0.2 -2,-0.2 0.943 108.7 54.3 -62.2 -47.4 23.3 19.9 45.0 80 80 A K H 3<5S+ 0 0 143 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 114.0 41.0 -53.0 -38.8 23.1 22.3 42.0 81 81 A H T 3<5S- 0 0 37 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.291 110.8-120.4 -98.1 8.9 20.9 24.6 44.0 82 82 A N T < 5 + 0 0 116 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.874 52.5 166.8 55.1 40.9 22.9 24.2 47.3 83 83 A A < - 0 0 8 -5,-3.1 -78,-0.2 -6,-0.1 -1,-0.2 -0.649 21.3-179.9 -86.9 144.8 19.8 22.9 49.1 84 84 A N + 0 0 57 -80,-2.1 30,-2.4 -2,-0.3 2,-0.4 0.321 63.8 55.5-122.6 -2.0 20.4 21.2 52.5 85 85 A I E -bd 5 114A 24 -81,-1.3 -79,-2.3 28,-0.2 2,-0.5 -0.999 58.3-162.1-140.6 132.3 16.8 20.3 53.4 86 86 A L E -bd 6 115A 3 28,-3.1 30,-3.1 -2,-0.4 2,-0.4 -0.979 13.4-158.5-113.7 127.6 14.3 18.2 51.6 87 87 A V E + d 0 116A 1 -81,-2.8 2,-0.3 -2,-0.5 30,-0.2 -0.914 17.2 168.3-108.9 134.5 10.7 18.7 52.8 88 88 A R E - d 0 117A 46 28,-2.0 30,-2.2 -2,-0.4 2,-0.2 -0.956 28.4-115.2-140.3 156.9 8.0 16.0 52.2 89 89 A G E - d 0 118A 16 -2,-0.3 2,-0.4 28,-0.2 30,-0.2 -0.630 11.1-162.3 -91.1 157.0 4.5 15.4 53.4 90 90 A L + 0 0 33 28,-2.0 3,-0.1 -2,-0.2 35,-0.0 -0.905 10.9 177.1-131.4 102.5 3.1 12.5 55.5 91 91 A R - 0 0 105 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.796 67.6 -25.8 -76.8 -31.1 -0.7 12.4 55.1 92 92 A S S > S- 0 0 64 34,-0.0 3,-2.1 27,-0.0 4,-0.4 -0.940 83.5 -71.8-166.0 176.4 -1.3 9.3 57.1 93 93 A V G > S+ 0 0 129 -2,-0.3 3,-1.3 1,-0.3 4,-0.5 0.784 121.9 68.3 -50.4 -34.1 0.6 6.1 58.2 94 94 A S G 3 S+ 0 0 96 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.737 93.6 56.8 -64.1 -23.6 0.3 4.8 54.7 95 95 A D G <> S+ 0 0 26 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.602 87.3 83.0 -79.7 -12.7 2.7 7.4 53.3 96 96 A F H <> S+ 0 0 119 -3,-1.3 4,-2.7 -4,-0.4 5,-0.3 0.919 81.4 56.8 -64.6 -46.5 5.5 6.4 55.7 97 97 A E H > S+ 0 0 124 -4,-0.5 4,-2.1 -3,-0.3 -1,-0.2 0.919 110.6 42.1 -50.9 -52.7 6.9 3.5 53.8 98 98 A Y H > S+ 0 0 108 -4,-0.4 4,-2.9 1,-0.2 5,-0.2 0.901 114.3 51.3 -68.9 -37.2 7.7 5.4 50.6 99 99 A E H X S+ 0 0 14 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.899 110.5 49.8 -64.0 -37.7 9.1 8.4 52.5 100 100 A W H X S+ 0 0 143 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.898 112.6 47.1 -64.5 -42.8 11.4 6.2 54.5 101 101 A Q H X S+ 0 0 88 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.950 115.4 45.2 -63.4 -50.0 12.6 4.5 51.3 102 102 A L H X S+ 0 0 42 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.905 112.3 51.5 -60.7 -44.3 13.1 7.8 49.5 103 103 A A H X S+ 0 0 18 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.890 111.7 46.7 -64.5 -40.9 14.9 9.4 52.5 104 104 A N H X S+ 0 0 73 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.912 113.0 48.1 -66.3 -44.3 17.3 6.5 52.8 105 105 A M H X S+ 0 0 105 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.928 112.6 49.5 -56.8 -47.6 18.1 6.5 49.1 106 106 A N H X S+ 0 0 18 -4,-3.2 4,-3.2 1,-0.2 7,-0.3 0.821 103.5 60.7 -64.8 -31.1 18.6 10.3 49.3 107 107 A R H < S+ 0 0 176 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.884 109.6 42.4 -60.0 -42.4 20.9 9.8 52.3 108 108 A H H < S+ 0 0 145 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.916 116.7 47.0 -70.0 -44.4 23.2 7.7 50.1 109 109 A L H < S+ 0 0 61 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.886 134.7 8.7 -68.7 -36.8 22.9 10.0 47.1 110 110 A M >< - 0 0 5 -4,-3.2 3,-2.1 -5,-0.2 -1,-0.3 -0.690 65.5-171.4-147.3 87.9 23.5 13.3 49.1 111 111 A P T 3 S+ 0 0 95 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.724 84.5 56.0 -56.9 -26.8 24.6 12.7 52.7 112 112 A K T 3 S+ 0 0 124 2,-0.1 2,-0.6 -27,-0.0 -5,-0.1 0.576 84.2 93.5 -83.3 -11.6 24.3 16.4 53.6 113 113 A L < - 0 0 7 -3,-2.1 2,-0.4 -7,-0.3 -28,-0.2 -0.746 65.3-154.1 -85.3 121.0 20.7 16.8 52.5 114 114 A E E -d 85 0A 118 -30,-2.4 -28,-3.1 -2,-0.6 2,-0.4 -0.806 4.6-143.3 -95.4 134.2 18.4 16.3 55.5 115 115 A S E -d 86 0A 18 -2,-0.4 2,-0.3 -30,-0.2 -28,-0.2 -0.826 20.6-178.0 -95.6 136.4 14.8 15.1 54.9 116 116 A V E -d 87 0A 44 -30,-3.1 -28,-2.0 -2,-0.4 2,-0.4 -0.958 12.6-142.2-134.6 150.3 12.1 16.5 57.1 117 117 A F E -d 88 0A 75 -2,-0.3 2,-0.4 -30,-0.2 -28,-0.2 -0.916 9.7-166.7-123.4 139.9 8.4 15.7 57.1 118 118 A L E -d 89 0A 23 -30,-2.2 -28,-2.0 -2,-0.4 -97,-0.1 -0.944 18.7-136.3-118.3 145.2 5.2 17.7 57.7 119 119 A I - 0 0 114 -2,-0.4 -28,-0.2 -30,-0.2 3,-0.1 -0.869 30.1-125.0 -98.3 125.1 1.7 16.4 58.3 120 120 A P - 0 0 11 0, 0.0 5,-0.1 0, 0.0 -103,-0.1 -0.275 38.1 -81.2 -65.5 155.5 -0.9 18.3 56.2 121 121 A S >> - 0 0 30 1,-0.1 3,-2.1 -104,-0.1 4,-1.4 -0.184 40.3-112.3 -43.7 145.2 -3.8 19.9 57.9 122 122 A E T 34 S+ 0 0 153 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.761 116.0 70.0 -53.2 -24.6 -6.8 17.5 58.7 123 123 A K T 34 S+ 0 0 123 1,-0.2 -1,-0.3 2,-0.1 -106,-0.1 0.784 115.4 19.7 -61.4 -28.9 -8.7 19.5 56.0 124 124 A W T X4 S+ 0 0 48 -3,-2.1 3,-1.9 -108,-0.1 -2,-0.2 0.487 92.4 98.7-123.5 -9.5 -6.5 18.1 53.2 125 125 A S T 3< S+ 0 0 38 -4,-1.4 -3,-0.1 1,-0.3 -2,-0.1 0.812 83.6 53.9 -60.6 -29.6 -4.9 14.9 54.5 126 126 A F T 3 S+ 0 0 137 -4,-0.4 2,-0.4 2,-0.0 -1,-0.3 0.487 81.5 119.6 -80.1 -0.9 -7.4 12.6 52.8 127 127 A I < - 0 0 10 -3,-1.9 2,-0.5 4,-0.0 3,-0.1 -0.513 39.2-176.9 -77.2 122.2 -6.9 14.1 49.4 128 128 A S > - 0 0 40 -2,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.988 21.9-146.7-114.1 127.8 -5.7 11.7 46.8 129 129 A S H > S+ 0 0 32 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.862 99.4 54.5 -58.7 -39.4 -4.9 13.2 43.3 130 130 A S H > S+ 0 0 89 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.919 110.5 46.3 -61.4 -42.7 -6.0 10.1 41.5 131 131 A L H > S+ 0 0 90 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.909 110.1 53.1 -69.8 -38.3 -9.3 10.1 43.3 132 132 A V H X S+ 0 0 11 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.936 111.4 46.9 -59.2 -42.9 -9.8 13.9 42.6 133 133 A K H X S+ 0 0 27 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.909 110.6 52.6 -64.2 -39.8 -9.1 13.2 38.9 134 134 A E H X S+ 0 0 109 -4,-2.2 4,-1.3 2,-0.2 -2,-0.2 0.924 111.5 45.7 -61.5 -44.3 -11.5 10.3 39.0 135 135 A V H ><>S+ 0 0 52 -4,-2.5 5,-2.7 1,-0.2 3,-0.5 0.946 112.9 50.8 -63.6 -48.7 -14.3 12.5 40.5 136 136 A A H ><5S+ 0 0 10 -4,-2.9 3,-2.1 1,-0.2 -2,-0.2 0.894 104.4 57.9 -54.3 -41.3 -13.5 15.2 37.9 137 137 A R H 3<5S+ 0 0 144 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.844 108.0 48.0 -61.5 -31.6 -13.7 12.7 35.0 138 138 A H T <<5S- 0 0 158 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.214 121.6-106.9 -92.1 14.8 -17.3 11.9 36.2 139 139 A G T < 5 + 0 0 70 -3,-2.1 -3,-0.2 1,-0.2 2,-0.1 0.656 68.0 150.4 70.6 18.4 -18.3 15.6 36.4 140 140 A G < - 0 0 31 -5,-2.7 2,-0.5 -6,-0.2 -1,-0.2 -0.480 56.2 -94.4 -82.5 158.6 -18.2 15.7 40.3 141 141 A D + 0 0 106 1,-0.1 -1,-0.1 -2,-0.1 -5,-0.1 -0.542 45.9 165.6 -73.2 119.9 -17.4 18.9 42.2 142 142 A I >> + 0 0 2 -2,-0.5 3,-2.0 1,-0.1 4,-0.8 0.264 38.3 116.3-114.8 12.3 -13.7 19.0 43.1 143 143 A T T 34 S+ 0 0 81 1,-0.3 3,-0.4 2,-0.2 -1,-0.1 0.819 71.0 56.4 -55.9 -34.3 -13.6 22.7 44.1 144 144 A P T 34 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.748 107.3 50.5 -66.8 -17.2 -12.7 22.1 47.7 145 145 A F T <4 S+ 0 0 47 -3,-2.0 -129,-2.3 2,-0.1 -128,-0.4 0.680 107.6 41.2-100.4 -19.3 -9.6 20.1 46.9 146 146 A L S < S- 0 0 5 -4,-0.8 -131,-0.1 -3,-0.4 -1,-0.0 -0.931 87.8 -95.6-129.5 150.3 -7.6 22.2 44.4 147 147 A P >> - 0 0 14 0, 0.0 4,-2.5 0, 0.0 3,-1.0 -0.321 48.4-103.8 -57.3 151.9 -6.8 25.9 44.1 148 148 A K H 3> S+ 0 0 186 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.850 120.3 47.1 -47.1 -51.5 -9.2 27.8 41.7 149 149 A P H 3> S+ 0 0 41 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.811 112.2 52.4 -66.3 -26.4 -6.9 28.0 38.7 150 150 A V H <> S+ 0 0 0 -3,-1.0 4,-2.9 2,-0.2 5,-0.3 0.935 107.6 50.1 -72.6 -48.9 -6.0 24.3 39.1 151 151 A T H X S+ 0 0 13 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.956 111.5 51.2 -50.8 -48.7 -9.7 23.4 39.2 152 152 A K H X S+ 0 0 161 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.917 112.3 44.4 -54.8 -48.0 -10.1 25.5 36.0 153 153 A A H X S+ 0 0 26 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.894 113.3 50.7 -65.3 -40.1 -7.2 23.7 34.2 154 154 A L H X S+ 0 0 1 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.941 110.1 48.5 -65.0 -48.1 -8.3 20.3 35.2 155 155 A L H X S+ 0 0 88 -4,-2.6 4,-1.4 -5,-0.3 -1,-0.2 0.902 113.3 48.4 -56.1 -43.1 -11.8 20.7 34.0 156 156 A A H < S+ 0 0 70 -4,-2.0 3,-0.4 -5,-0.3 -2,-0.2 0.916 108.1 54.4 -64.5 -42.1 -10.5 22.1 30.7 157 157 A K H < S+ 0 0 84 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.858 115.9 40.0 -60.2 -32.9 -8.1 19.1 30.4 158 158 A L H < 0 0 57 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.599 360.0 360.0 -95.7 -15.2 -11.1 16.8 30.8 159 159 A A < 0 0 145 -4,-1.4 -3,-0.0 -3,-0.4 -22,-0.0 -0.214 360.0 360.0 -73.4 360.0 -13.8 18.5 28.7