==== 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 09-AUG-05 2AML . COMPND 2 MOLECULE: SIS DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA MONOCYTOGENES; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 727 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 88 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 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 . 40 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 278 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.7 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 5 2 0 2 0 0 0 2 0 4 0 2 2 2 0 2 3 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 8 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 4 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 -4 A H 0 0 221 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.5 50.1 14.2 13.3 2 -3 A H + 0 0 133 364,-0.0 2,-0.5 5,-0.0 3,-0.1 -0.626 360.0 176.2 -72.2 115.4 52.8 16.8 14.0 3 -2 A H > - 0 0 109 -2,-0.6 3,-2.0 1,-0.1 4,-0.1 -0.965 21.5-150.9-121.5 107.3 55.4 16.6 11.2 4 -1 A H G > S+ 0 0 111 -2,-0.5 3,-0.7 1,-0.3 -1,-0.1 0.810 94.6 44.6 -47.7 -41.0 58.0 19.3 11.8 5 0 A H G 3 S+ 0 0 173 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.558 109.8 57.1 -86.0 -3.8 58.9 19.8 8.1 6 1 A X G < S+ 0 0 156 -3,-2.0 -1,-0.2 2,-0.0 -2,-0.2 0.064 73.4 137.1-115.3 23.1 55.3 19.7 6.9 7 2 A K < - 0 0 30 -3,-0.7 2,-0.1 1,-0.1 5,-0.1 -0.386 60.0-107.8 -67.7 144.8 53.9 22.6 9.0 8 3 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.457 38.3-164.5 -66.2 148.1 51.6 25.1 7.3 9 4 A T > - 0 0 40 -2,-0.1 4,-1.4 140,-0.1 5,-0.2 -0.682 41.1 -89.4-118.4 178.8 53.1 28.5 6.7 10 5 A X H > S+ 0 0 3 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.891 129.4 56.4 -55.2 -37.1 51.6 31.9 5.8 11 6 A X H > S+ 0 0 24 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 98.7 58.9 -67.6 -36.0 52.0 30.8 2.2 12 7 A T H 4 S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.2 4,-0.2 0.926 113.1 39.4 -49.7 -51.2 49.9 27.7 2.8 13 8 A Y H >X S+ 0 0 15 -4,-1.4 3,-1.1 2,-0.2 4,-0.6 0.856 112.0 54.4 -75.5 -38.9 47.0 29.9 3.9 14 9 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.926 107.1 54.0 -52.6 -43.2 47.6 32.6 1.3 15 10 A N T 3< S+ 0 0 100 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.581 105.3 54.1 -70.6 -12.0 47.3 29.8 -1.2 16 11 A E T <> S+ 0 0 74 -3,-1.1 4,-2.2 -4,-0.2 -1,-0.3 0.491 84.5 88.6 -94.7 -10.4 43.9 28.7 0.3 17 12 A E H S+ 0 0 46 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.969 114.2 39.0 -57.6 -53.3 41.0 31.8 -3.6 19 14 A E H > S+ 0 0 100 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.895 115.8 53.4 -66.7 -37.9 39.0 28.6 -2.9 20 15 A X H X S+ 0 0 16 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.929 108.6 49.2 -60.1 -46.9 38.0 29.9 0.5 21 16 A C H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.831 104.9 58.3 -64.5 -34.8 36.6 33.1 -1.0 22 17 A R H X S+ 0 0 114 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.904 109.4 45.2 -58.8 -42.8 34.6 31.1 -3.7 23 18 A V H X S+ 0 0 72 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.911 111.9 51.0 -69.8 -42.9 32.8 29.3 -0.9 24 19 A I H X S+ 0 0 15 -4,-2.4 4,-0.7 1,-0.2 3,-0.2 0.941 112.5 47.0 -57.7 -47.8 32.2 32.6 1.1 25 20 A L H >< S+ 0 0 25 -4,-2.7 3,-0.7 1,-0.2 4,-0.2 0.898 109.4 54.6 -60.1 -42.5 30.8 34.2 -2.0 26 21 A A H 3< S+ 0 0 71 -4,-2.1 -1,-0.2 1,-0.2 3,-0.2 0.872 120.2 30.7 -57.0 -38.0 28.6 31.2 -2.8 27 22 A D H >X S+ 0 0 94 -4,-1.7 3,-1.4 -3,-0.2 4,-0.7 0.283 81.3 113.2-110.9 9.4 27.0 31.3 0.7 28 23 A F H S+ 0 0 86 -4,-0.2 4,-2.2 -3,-0.2 -1,-0.3 0.852 94.9 59.8 -64.6 -28.5 23.3 35.4 1.7 30 25 A T H <> S+ 0 0 72 -3,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.924 107.8 40.9 -67.5 -51.1 22.9 33.0 4.7 31 26 A N H X S+ 0 0 30 -4,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.888 114.0 55.1 -59.8 -40.7 25.1 35.0 7.2 32 27 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.914 106.8 50.1 -63.5 -42.5 23.5 38.2 6.0 33 28 A E H X S+ 0 0 101 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.869 106.9 55.0 -63.7 -37.5 20.0 37.0 6.7 34 29 A K H < S+ 0 0 104 -4,-1.7 4,-0.4 2,-0.2 -1,-0.2 0.945 111.9 43.1 -60.6 -47.6 21.0 35.9 10.2 35 30 A L H >< S+ 0 0 5 -4,-2.3 3,-1.9 1,-0.2 4,-0.5 0.940 111.3 54.2 -60.8 -46.8 22.3 39.5 10.9 36 31 A E H >< S+ 0 0 24 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.786 96.6 67.9 -60.6 -29.5 19.2 41.1 9.2 37 32 A S T 3< S+ 0 0 60 -4,-1.8 3,-0.3 1,-0.2 -1,-0.3 0.707 100.3 49.8 -62.5 -20.3 16.9 39.0 11.5 38 33 A L T < S+ 0 0 47 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.569 113.5 42.8 -92.6 -15.8 18.2 41.0 14.5 39 34 A V X + 0 0 11 -3,-1.0 3,-2.2 -4,-0.5 -1,-0.2 -0.286 64.1 145.3-128.1 51.0 17.6 44.5 13.0 40 35 A K T 3 S+ 0 0 185 -3,-0.3 -1,-0.1 1,-0.3 3,-0.1 0.781 73.9 52.6 -65.3 -29.2 14.2 44.2 11.3 41 36 A N T 3 S- 0 0 170 1,-0.3 -1,-0.3 -3,-0.1 2,-0.1 0.437 126.0 -90.2 -84.3 2.5 13.2 47.8 12.1 42 37 A G < - 0 0 42 -3,-2.2 -1,-0.3 -6,-0.2 2,-0.3 -0.206 30.7-129.8 104.2 161.1 16.5 49.1 10.5 43 38 A A + 0 0 5 27,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.775 30.7 161.5-150.7 102.3 20.0 49.7 12.0 44 39 A K + 0 0 80 -2,-0.3 28,-2.7 1,-0.2 2,-0.5 0.754 66.7 53.3 -92.3 -30.8 21.7 53.1 11.4 45 40 A E E +a 72 0A 23 45,-0.2 47,-2.7 26,-0.2 48,-1.1 -0.950 67.1 179.7-114.0 113.5 24.3 53.2 14.1 46 41 A W E -ab 73 93A 4 26,-2.8 28,-2.5 -2,-0.5 2,-0.4 -0.881 13.9-159.0-114.3 143.9 26.7 50.2 14.4 47 42 A L E -ab 74 94A 10 46,-2.4 48,-2.9 -2,-0.4 2,-0.5 -0.995 5.1-160.8-120.5 129.1 29.5 49.6 16.8 48 43 A I E -ab 75 95A 2 26,-3.0 28,-2.6 -2,-0.4 2,-0.5 -0.962 2.5-165.2-109.4 123.4 32.3 47.1 16.0 49 44 A L E +ab 76 96A 0 46,-2.5 48,-2.2 -2,-0.5 2,-0.3 -0.957 33.8 127.9-109.0 118.6 34.3 45.9 18.9 50 45 A A E - b 0 97A 0 26,-1.5 2,-0.3 -2,-0.5 48,-0.1 -0.979 37.2-149.5-167.1 156.0 37.5 44.2 17.8 51 46 A T >> - 0 0 7 46,-0.6 3,-1.5 -2,-0.3 4,-0.6 -0.899 58.4 -5.8-133.3 161.7 41.3 44.1 18.3 52 47 A G H >> S- 0 0 11 -2,-0.3 4,-2.2 1,-0.3 3,-0.6 -0.230 129.6 -6.1 60.1-141.7 44.3 43.4 16.2 53 48 A S H 3> S+ 0 0 17 566,-0.3 4,-1.9 1,-0.3 -1,-0.3 0.769 134.7 60.0 -60.6 -29.2 43.8 42.0 12.7 54 49 A S H <> S+ 0 0 12 -3,-1.5 4,-2.1 2,-0.2 -1,-0.3 0.896 107.0 46.1 -64.8 -42.6 40.0 41.8 13.5 55 50 A L H X S+ 0 0 1 -4,-2.1 4,-1.8 1,-0.2 3,-0.6 0.918 111.7 49.5 -56.9 -44.9 36.6 46.1 10.3 59 54 A Q H 3X S+ 0 0 34 -4,-2.5 4,-0.5 1,-0.3 171,-0.4 0.843 108.3 54.9 -66.3 -34.9 38.5 49.3 9.3 60 55 A S H 3< S+ 0 0 0 -4,-1.8 -1,-0.3 170,-0.3 -2,-0.2 0.758 117.0 34.7 -66.7 -27.7 39.1 47.7 5.9 61 56 A A H S+ 0 0 2 255,-0.4 4,-1.1 -3,-0.2 -1,-0.2 0.948 111.5 42.7 -57.1 -50.5 32.4 50.0 1.6 65 60 A I H >X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 3,-0.7 0.939 114.4 49.8 -63.8 -46.7 29.4 49.3 3.9 66 61 A E H 3< S+ 0 0 8 -4,-2.5 5,-0.2 1,-0.2 -1,-0.2 0.751 105.8 59.0 -66.4 -21.1 28.8 53.0 4.6 67 62 A N H 3< S+ 0 0 71 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.805 115.7 32.4 -79.0 -27.8 28.9 53.7 0.9 68 63 A L H << S+ 0 0 10 -4,-1.1 2,-0.3 -3,-0.7 -2,-0.2 0.725 120.5 43.7 -96.9 -29.8 26.1 51.4 0.1 69 64 A A S < S- 0 0 3 -4,-2.3 2,-2.2 -5,-0.2 -1,-0.1 -0.910 83.1-113.9-121.9 145.5 23.9 51.6 3.2 70 65 A D S S+ 0 0 101 -2,-0.3 2,-0.3 101,-0.1 -27,-0.1 -0.530 77.3 120.8 -74.1 71.6 22.7 54.5 5.3 71 66 A V - 0 0 0 -2,-2.2 2,-0.5 -5,-0.2 -26,-0.2 -0.960 54.2-147.8-136.3 152.6 24.7 53.3 8.3 72 67 A R E -a 45 0A 43 -28,-2.7 -26,-2.8 -2,-0.3 2,-0.5 -0.996 15.3-158.7-123.8 127.8 27.4 54.7 10.4 73 68 A I E -a 46 0A 3 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.919 5.5-167.2-112.9 124.8 30.0 52.3 11.8 74 69 A T E -a 47 0A 52 -28,-2.5 -26,-3.0 -2,-0.5 2,-0.5 -0.938 9.5-156.9-106.9 133.7 32.2 53.2 14.8 75 70 A I E -a 48 0A 28 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.959 15.7-179.8-113.7 127.5 35.1 50.8 15.5 76 71 A E E -a 49 0A 45 -28,-2.6 -26,-1.5 -2,-0.5 -2,-0.0 -0.985 34.8-115.3-133.4 137.3 36.5 50.6 19.0 77 72 A E > - 0 0 46 -2,-0.4 4,-2.0 -28,-0.2 -26,-0.2 -0.531 33.3-139.4 -59.8 129.9 39.3 48.7 20.7 78 73 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.798 93.6 52.3 -75.4 -33.3 37.4 46.5 23.2 79 74 A F H > S+ 0 0 4 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.965 115.5 43.1 -62.2 -54.2 39.7 46.8 26.3 80 75 A N H >>S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 5,-0.8 0.885 113.5 53.3 -54.2 -40.6 39.6 50.5 26.1 81 76 A H H X5S+ 0 0 4 -4,-2.0 4,-1.2 3,-0.2 -1,-0.2 0.927 109.5 47.8 -62.7 -45.4 35.8 50.4 25.4 82 77 A L H <5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.921 122.9 31.0 -60.0 -47.7 35.1 48.3 28.4 83 78 A Y H <5S+ 0 0 103 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.737 135.0 17.8 -89.2 -22.4 37.1 50.3 30.9 84 79 A Y H <5S+ 0 0 19 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.612 99.3 85.3-128.3 -19.4 36.8 53.9 29.5 85 80 A E << - 0 0 10 -4,-1.2 2,-0.3 -5,-0.8 349,-0.0 -0.643 57.3-142.5 -97.6 145.9 34.0 54.4 27.0 86 81 A K - 0 0 65 -2,-0.3 2,-0.3 -3,-0.0 -3,-0.0 -0.770 29.1-111.5 -87.8 146.6 30.3 55.1 27.5 87 82 A L - 0 0 35 -2,-0.3 2,-0.2 1,-0.1 -1,-0.0 -0.585 32.1-112.9 -72.2 137.8 27.7 53.5 25.2 88 83 A S > - 0 0 29 -2,-0.3 3,-1.0 1,-0.1 -1,-0.1 -0.585 13.0-137.3 -65.1 139.1 25.9 55.8 22.8 89 84 A S T 3 S+ 0 0 113 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.626 103.7 55.8 -63.3 -19.8 22.1 56.2 23.6 90 85 A H T 3 S+ 0 0 72 -46,-0.0 -1,-0.2 362,-0.0 -45,-0.2 0.208 73.5 132.7-107.0 11.9 21.6 55.8 19.8 91 86 A L < + 0 0 31 -3,-1.0 -45,-0.2 1,-0.1 3,-0.1 -0.480 25.5 176.5 -72.0 136.5 23.3 52.5 19.1 92 87 A D + 0 0 62 -47,-2.7 2,-0.3 1,-0.3 -46,-0.2 0.528 64.8 15.3-110.9 -19.8 21.3 50.0 16.9 93 88 A L E -b 46 0A 0 -48,-1.1 -46,-2.4 26,-0.1 2,-0.4 -0.928 55.8-158.5-160.8 134.6 23.7 47.1 16.4 94 89 A V E -bc 47 121A 0 26,-2.4 28,-2.7 -2,-0.3 2,-0.5 -0.974 9.2-168.4-117.3 131.6 27.0 45.8 18.0 95 90 A I E -bc 48 122A 5 -48,-2.9 -46,-2.5 -2,-0.4 2,-0.4 -0.991 3.1-163.5-117.5 121.6 29.3 43.4 16.1 96 91 A G E -bc 49 123A 0 26,-2.8 28,-2.6 -2,-0.5 2,-0.4 -0.890 10.1-165.8 -99.0 133.6 32.2 41.7 18.0 97 92 A I E +bc 50 124A 1 -48,-2.2 -46,-0.6 -2,-0.4 2,-0.3 -0.988 21.7 149.6-127.6 127.0 34.9 40.2 15.8 98 93 A S - 0 0 3 26,-2.3 28,-0.4 -2,-0.4 34,-0.1 -0.884 33.1-151.8-152.4 120.5 37.6 37.8 16.8 99 94 A Q S S+ 0 0 24 -2,-0.3 27,-2.5 1,-0.2 28,-0.4 0.950 103.4 30.7 -60.3 -50.1 39.1 35.2 14.5 100 95 A S S S- 0 0 37 25,-0.2 -1,-0.2 26,-0.1 32,-0.1 0.751 96.1-138.1 -72.7 -27.8 39.9 32.8 17.4 101 96 A G S S+ 0 0 0 23,-0.2 31,-1.3 29,-0.1 30,-0.2 0.585 82.7 97.0 73.5 13.2 36.9 33.9 19.5 102 97 A Q + 0 0 32 29,-0.1 258,-1.9 28,-0.1 2,-0.7 0.244 39.8 119.7-120.7 8.4 39.4 33.7 22.4 103 98 A S B > -E 359 0B 8 256,-0.2 4,-2.4 1,-0.2 256,-0.2 -0.693 51.8-154.6 -79.4 113.3 40.5 37.3 22.8 104 99 A T H > S+ 0 0 31 254,-1.7 4,-2.9 -2,-0.7 5,-0.2 0.799 89.1 58.4 -63.8 -30.9 39.5 38.3 26.3 105 100 A S H > S+ 0 0 6 253,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.972 110.5 41.9 -60.9 -53.4 39.2 42.0 25.5 106 101 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.941 115.9 50.4 -61.7 -41.8 36.6 41.4 22.8 107 102 A I H X S+ 0 0 13 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.934 112.9 45.2 -61.3 -50.8 34.8 38.9 24.9 108 103 A S H X S+ 0 0 40 -4,-2.9 4,-1.8 2,-0.2 -1,-0.2 0.846 109.2 54.9 -66.2 -30.8 34.6 41.1 27.9 109 104 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.908 110.1 47.6 -68.9 -38.1 33.5 44.2 26.0 110 105 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.2 5,-0.2 0.918 106.8 57.0 -67.8 -40.5 30.6 42.2 24.5 111 106 A E H X S+ 0 0 74 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.925 106.0 51.0 -53.4 -44.7 29.7 40.9 28.0 112 107 A R H X S+ 0 0 28 -4,-1.8 4,-2.2 1,-0.2 5,-0.3 0.938 110.3 48.2 -60.3 -43.9 29.4 44.5 29.1 113 108 A V H X S+ 0 0 1 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.927 111.8 50.0 -63.4 -42.3 27.1 45.4 26.2 114 109 A K H < S+ 0 0 56 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.889 115.1 43.8 -64.2 -37.8 24.9 42.3 26.9 115 110 A K H < S+ 0 0 122 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.794 123.5 33.1 -74.7 -32.5 24.6 43.2 30.6 116 111 A E H < S+ 0 0 127 -4,-2.2 2,-0.3 -5,-0.2 -2,-0.2 0.671 116.3 37.5-103.1 -20.9 23.9 46.9 30.1 117 112 A A < - 0 0 36 -4,-2.2 -1,-0.0 -5,-0.3 0, 0.0 -0.860 58.5-139.9-133.8 163.7 22.0 47.4 26.9 118 113 A S + 0 0 126 -2,-0.3 3,-0.1 2,-0.1 -4,-0.1 0.394 61.0 128.5-104.0 5.8 19.3 45.6 24.9 119 114 A V - 0 0 16 -6,-0.2 -26,-0.1 1,-0.1 -2,-0.1 -0.199 68.9-100.8 -62.3 140.2 20.9 46.3 21.6 120 115 A P - 0 0 26 0, 0.0 -26,-2.4 0, 0.0 2,-0.4 -0.435 36.9-152.7 -64.8 147.5 21.4 43.3 19.4 121 116 A V E -c 94 0A 0 -28,-0.2 16,-2.2 -2,-0.1 17,-1.4 -0.976 11.2-171.8-127.6 127.8 24.8 41.7 19.3 122 117 A V E -cd 95 138A 3 -28,-2.7 -26,-2.8 -2,-0.4 2,-0.4 -0.936 9.0-155.1-111.6 138.0 26.4 39.7 16.5 123 118 A A E -cd 96 139A 0 15,-2.3 17,-3.4 -2,-0.4 2,-0.5 -0.939 3.2-162.1-110.8 138.4 29.8 37.9 16.9 124 119 A L E +cd 97 140A 7 -28,-2.6 -26,-2.3 -2,-0.4 2,-0.3 -0.988 30.2 137.5-119.4 124.8 31.9 37.1 13.9 125 120 A T E - d 0 141A 0 15,-2.3 17,-2.3 -2,-0.5 18,-0.3 -0.963 60.6-119.6-156.2 164.9 34.6 34.4 14.3 126 121 A S S S+ 0 0 22 -27,-2.5 2,-0.4 -28,-0.4 19,-0.2 0.542 108.4 49.9 -83.3 -13.0 36.2 31.4 12.7 127 122 A D > - 0 0 47 -28,-0.4 3,-1.9 13,-0.1 6,-0.2 -0.859 62.9-174.2-132.2 95.1 35.1 29.2 15.6 128 123 A V T 3 S+ 0 0 58 -2,-0.4 -1,-0.1 1,-0.3 11,-0.0 0.604 85.6 60.1 -68.7 -12.6 31.4 29.6 16.4 129 124 A T T 3 S+ 0 0 122 3,-0.0 -1,-0.3 4,-0.0 -28,-0.0 0.401 86.1 110.5 -89.7 -1.6 31.8 27.3 19.5 130 125 A S S X S- 0 0 8 -3,-1.9 3,-1.4 1,-0.1 4,-0.3 -0.079 87.5 -93.3 -75.4 173.8 34.4 29.7 21.1 131 126 A E G > S+ 0 0 50 1,-0.3 3,-1.5 -30,-0.2 4,-0.4 0.781 117.0 68.6 -58.9 -31.5 34.0 31.9 24.2 132 127 A I G > S+ 0 0 0 -31,-1.3 3,-1.4 1,-0.3 -1,-0.3 0.836 85.9 69.8 -61.0 -31.7 32.8 34.9 22.2 133 128 A A G X S+ 0 0 27 -3,-1.4 3,-1.3 1,-0.3 -1,-0.3 0.739 84.5 70.2 -60.3 -24.0 29.6 33.2 21.3 134 129 A E G < S+ 0 0 148 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.843 101.4 44.5 -62.2 -32.0 28.3 33.4 24.9 135 130 A F G < S+ 0 0 25 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.2 0.029 101.7 78.9-108.3 26.9 27.9 37.2 24.7 136 131 A A < - 0 0 16 -3,-1.3 -14,-0.2 1,-0.1 3,-0.1 -0.982 67.9-141.0-131.1 148.7 26.2 37.5 21.3 137 132 A D S S+ 0 0 90 -16,-2.2 2,-0.3 -2,-0.3 -15,-0.2 0.860 97.0 12.3 -71.8 -37.9 22.6 36.9 20.1 138 133 A I E -d 122 0A 35 -17,-1.4 -15,-2.3 -3,-0.1 2,-0.5 -0.995 69.7-151.8-140.0 145.5 23.9 35.3 16.9 139 134 A T E -d 123 0A 36 -2,-0.3 2,-0.3 -17,-0.2 -15,-0.2 -0.984 14.2-160.6-124.9 117.8 27.4 34.1 16.0 140 135 A L E -d 124 0A 7 -17,-3.4 -15,-2.3 -2,-0.5 2,-0.5 -0.786 15.5-126.2-104.0 141.4 28.4 34.0 12.4 141 136 A D E -d 125 0A 65 -2,-0.3 -15,-0.2 -17,-0.2 -110,-0.1 -0.730 5.2-150.1 -89.6 126.4 31.3 32.1 10.8 142 137 A I - 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0 0 96 -2,-0.3 4,-2.3 -3,-0.1 5,-0.1 -0.367 34.4 -91.3 -99.7 178.1 29.3 70.5 42.7 541 174 B E H > S+ 0 0 118 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.866 122.0 55.0 -57.1 -41.3 31.4 73.4 44.0 542 175 B T H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.945 110.7 43.8 -59.6 -49.0 33.5 71.2 46.3 543 176 B R H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.920 113.3 53.8 -62.9 -41.0 34.5 68.8 43.4 544 177 B F H X S+ 0 0 8 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.960 112.9 42.1 -54.9 -51.1 35.1 71.9 41.2 545 178 B N H X S+ 0 0 69 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.868 111.3 54.8 -69.2 -34.4 37.5 73.4 43.7 546 179 B N H X S+ 0 0 92 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.855 107.3 51.3 -69.5 -33.8 39.2 70.2 44.5 547 180 B E H X S+ 0 0 8 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.935 108.5 51.0 -62.5 -46.2 39.9 69.7 40.9 548 181 B I H X S+ 0 0 38 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.939 109.0 52.8 -56.8 -43.2 41.4 73.2 40.7 549 182 B S H X S+ 0 0 51 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.887 106.3 52.7 -60.6 -38.0 43.6 72.3 43.7 550 183 B A H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.926 111.5 45.4 -63.0 -46.6 44.9 69.2 42.0 551 184 B F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.906 110.5 54.4 -65.2 -34.4 45.9 71.2 39.0 552 185 B S H X S+ 0 0 66 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.919 109.5 47.1 -64.9 -45.2 47.5 73.8 41.2 553 186 B R H X S+ 0 0 137 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.892 110.9 52.7 -60.6 -38.4 49.6 71.2 42.9 554 187 B A H < S+ 0 0 0 -4,-2.1 4,-0.2 2,-0.2 3,-0.2 0.916 108.8 48.8 -65.9 -39.8 50.6 69.7 39.6 555 188 B I H >< S+ 0 0 11 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.920 108.2 54.6 -65.2 -42.4 51.8 73.1 38.3 556 189 B D H 3< S+ 0 0 125 -4,-2.3 4,-0.4 1,-0.3 -1,-0.2 0.843 106.2 53.7 -58.8 -29.8 53.7 73.5 41.5 557 190 B A T 3X S+ 0 0 6 -4,-1.4 4,-2.1 -3,-0.2 -1,-0.3 0.455 81.4 95.7 -86.0 1.5 55.4 70.2 40.7 558 191 B I H <> S+ 0 0 1 -3,-1.8 4,-2.4 -4,-0.2 5,-0.2 0.957 84.5 45.2 -64.9 -50.7 56.6 71.2 37.2 559 192 B P H > S+ 0 0 55 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.932 114.8 48.4 -59.8 -38.9 60.1 72.3 38.1 560 193 B A H > S+ 0 0 48 -4,-0.4 4,-2.7 1,-0.2 -2,-0.2 0.854 109.8 53.2 -66.8 -31.5 60.7 69.2 40.3 561 194 B T H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.900 108.8 48.9 -68.6 -43.3 59.4 67.1 37.4 562 195 B I H X S+ 0 0 22 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.941 112.9 49.2 -57.6 -47.1 61.9 68.8 35.0 563 196 B A H X S+ 0 0 60 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.899 110.1 49.4 -61.2 -42.8 64.6 68.1 37.6 564 197 B E H X S+ 0 0 51 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.888 111.2 50.0 -64.1 -39.2 63.6 64.5 38.1 565 198 B T H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.912 108.5 52.4 -69.4 -39.7 63.6 64.0 34.3 566 199 B E H X S+ 0 0 60 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.932 111.1 47.7 -56.5 -47.5 67.1 65.5 34.0 567 200 B A H X S+ 0 0 42 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.899 113.1 47.6 -60.9 -42.2 68.3 63.1 36.7 568 201 B F H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.914 112.3 49.4 -64.9 -46.8 66.7 60.1 34.9 569 202 B Y H X S+ 0 0 15 -4,-3.2 4,-1.3 1,-0.2 -2,-0.2 0.922 111.2 49.2 -57.7 -48.6 68.1 61.2 31.6 570 203 B E H < S+ 0 0 109 -4,-2.6 4,-0.2 -5,-0.2 3,-0.2 0.886 112.1 49.4 -59.6 -40.0 71.6 61.6 33.0 571 204 B R H < S+ 0 0 100 -4,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.903 123.3 29.2 -64.0 -41.3 71.4 58.2 34.7 572 205 B W H >X S+ 0 0 38 -4,-2.3 3,-2.0 1,-0.2 4,-0.6 0.331 81.7 113.3-107.9 11.2 70.3 56.3 31.5 573 206 B Q H >X S+ 0 0 44 -4,-1.3 4,-1.5 1,-0.3 3,-1.4 0.809 73.5 59.8 -58.0 -35.1 71.8 58.4 28.7 574 207 B E H 34 S+ 0 0 149 1,-0.3 4,-0.4 -3,-0.3 -1,-0.3 0.784 103.1 54.4 -64.7 -24.4 74.2 55.5 27.6 575 208 B E H <4 S+ 0 0 32 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.594 110.9 45.8 -79.3 -13.6 71.0 53.4 27.0 576 209 B F H X< S+ 0 0 0 -3,-1.4 3,-1.1 -4,-0.6 -2,-0.2 0.712 89.2 80.3-100.5 -25.2 69.6 56.0 24.7 577 210 B A T 3< S+ 0 0 32 -4,-1.5 -2,-0.1 1,-0.3 -3,-0.1 0.869 112.4 18.1 -57.7 -38.8 72.5 57.0 22.5 578 211 B T T 3 S+ 0 0 111 -4,-0.4 -1,-0.3 2,-0.0 -2,-0.1 0.124 84.7 142.9-120.5 20.4 72.2 54.0 20.2 579 212 B A < - 0 0 1 -3,-1.1 3,-0.1 1,-0.2 50,-0.1 -0.472 33.6-163.6 -62.5 128.4 68.6 52.9 20.9 580 213 B P + 0 0 61 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.549 69.0 19.1 -91.2 -11.7 67.1 51.7 17.6 581 214 B K - 0 0 5 47,-0.4 49,-1.7 26,-0.1 2,-0.4 -0.963 61.4-158.8-159.3 139.0 63.5 51.8 18.6 582 215 B F E -op 609 630F 0 26,-2.2 28,-2.1 -2,-0.3 2,-0.3 -0.960 10.1-175.6-120.4 144.7 61.4 53.4 21.4 583 216 B T E -op 610 631F 1 47,-2.0 49,-3.3 -2,-0.4 2,-0.4 -0.997 8.5-165.1-137.7 140.2 57.9 52.4 22.6 584 217 B A E -op 611 632F 0 26,-2.4 28,-2.9 -2,-0.3 2,-0.4 -1.000 9.7-162.0-123.7 131.0 55.6 53.9 25.2 585 218 B I E +op 612 633F 0 47,-2.5 49,-2.6 -2,-0.4 2,-0.2 -0.951 22.8 145.1-119.1 131.0 52.7 51.9 26.5 586 219 B G E -o 613 0F 0 26,-2.0 28,-2.7 -2,-0.4 2,-0.3 -0.695 27.8-141.0-145.9-169.9 49.7 53.4 28.3 587 220 B Y > - 0 0 0 26,-0.2 3,-2.0 -2,-0.2 5,-0.1 -0.976 59.3 -11.4-163.8 152.6 46.0 53.0 28.7 588 221 B G T > S+ 0 0 0 -2,-0.3 3,-1.9 1,-0.3 4,-0.5 -0.318 134.1 6.4 52.9-126.3 42.8 54.9 28.9 589 222 B P T >> S+ 0 0 1 0, 0.0 3,-0.9 0, 0.0 4,-0.5 0.800 128.5 61.5 -51.3 -35.8 43.7 58.6 29.3 590 223 B T H <> S+ 0 0 0 -3,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.546 79.4 81.4 -82.1 -1.4 47.5 58.0 28.8 591 224 B V H <> S+ 0 0 21 -3,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.917 91.5 54.8 -62.1 -35.4 47.0 56.6 25.3 592 225 B G H <> S+ 0 0 0 -3,-0.9 4,-1.9 -4,-0.5 -170,-0.2 0.928 107.1 50.0 -61.7 -38.1 46.9 60.4 24.3 593 226 B T H X S+ 0 0 0 -4,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.915 109.1 51.2 -65.3 -42.6 50.3 60.8 26.1 594 227 B C H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.891 108.2 52.0 -62.0 -37.3 51.6 57.8 24.2 595 228 B K H X S+ 0 0 70 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.889 111.4 46.6 -68.4 -38.0 50.5 59.3 20.9 596 229 B E H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.871 109.0 55.0 -74.0 -33.3 52.3 62.6 21.7 597 230 B F H X S+ 0 0 0 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.945 109.7 48.2 -53.8 -48.9 55.4 60.6 22.7 598 231 B E H X S+ 0 0 44 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.931 113.4 46.1 -58.1 -49.0 55.2 59.0 19.3 599 232 B T H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.955 116.7 44.2 -61.3 -50.5 54.8 62.4 17.5 600 233 B K H X S+ 0 0 1 -4,-3.1 4,-1.4 2,-0.2 5,-0.5 0.942 116.6 44.1 -61.7 -50.0 57.6 64.0 19.5 601 234 B F H X>S+ 0 0 0 -4,-3.2 5,-2.7 -5,-0.3 4,-0.6 0.925 112.7 52.3 -64.5 -40.6 60.1 61.2 19.3 602 235 B S H <5S+ 0 0 2 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.895 114.0 43.6 -57.6 -39.8 59.4 60.6 15.6 603 236 B E H <5S+ 0 0 12 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.697 130.8 17.4 -80.6 -26.9 60.0 64.3 14.8 604 237 B T H <5S+ 0 0 0 -4,-1.4 -3,-0.2 -3,-0.3 -2,-0.1 0.771 130.1 37.4-118.0 -59.9 63.1 64.9 16.9 605 238 B V T <5S- 0 0 2 -4,-0.6 -3,-0.2 -5,-0.5 -4,-0.1 0.899 87.2-160.2 -63.6 -41.5 64.9 61.7 18.0 606 239 B R < + 0 0 44 -5,-2.7 -4,-0.2 1,-0.3 -1,-0.1 0.651 47.2 117.1 67.8 18.6 64.0 60.4 14.5 607 240 B V S S- 0 0 24 -6,-0.4 -1,-0.3 1,-0.1 -26,-0.1 -0.798 85.8 -74.9-100.3 155.4 64.4 56.7 15.3 608 241 B P + 0 0 23 0, 0.0 -26,-2.2 0, 0.0 2,-0.4 -0.290 61.7 177.2 -55.0 130.5 61.3 54.6 15.0 609 242 B S E -o 582 0F 3 -28,-0.2 2,-0.4 -11,-0.1 -26,-0.2 -0.997 10.2-167.5-142.3 134.5 59.0 55.3 18.0 610 243 B Q E -o 583 0F 20 -28,-2.1 -26,-2.4 -2,-0.4 2,-0.5 -0.995 13.2-157.9-133.3 136.8 55.6 54.0 18.8 611 244 B G E +o 584 0F 11 -2,-0.4 2,-0.4 -28,-0.2 -26,-0.2 -0.945 29.7 179.2-109.1 124.7 52.9 54.9 21.4 612 245 B L E -o 585 0F 22 -28,-2.9 -26,-2.0 -2,-0.5 2,-0.2 -0.985 33.1-115.4-136.0 140.9 50.6 52.0 22.1 613 246 B D E > -o 586 0F 15 -2,-0.4 4,-2.4 -28,-0.2 -26,-0.2 -0.489 36.9-118.9 -61.4 136.4 47.6 51.0 24.1 614 247 B L T 4 S+ 0 0 0 -28,-2.7 4,-0.5 1,-0.2 -27,-0.1 0.799 111.6 37.6 -46.1 -49.4 48.4 48.3 26.6 615 248 B E T >4 S+ 0 0 1 2,-0.2 3,-0.9 1,-0.2 4,-0.2 0.853 111.1 58.5 -82.4 -35.6 45.9 45.7 25.2 616 249 B A G >4 S+ 0 0 18 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.898 100.9 59.6 -53.6 -39.6 46.5 46.7 21.6 617 250 B F G ><>S+ 0 0 4 -4,-2.4 5,-2.1 1,-0.3 3,-1.0 0.827 96.3 62.3 -53.9 -36.1 50.1 45.8 22.2 618 251 B X G < 5S+ 0 0 1 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.454 97.9 57.4 -73.7 -1.5 49.0 42.3 23.1 619 252 B H G < 5S- 0 0 22 -3,-1.9 -566,-0.3 -4,-0.2 -1,-0.2 0.075 132.0 -27.1-126.3 31.6 47.6 41.6 19.6 620 253 B G T X 5S+ 0 0 0 -3,-1.0 3,-1.9 -568,-0.1 4,-0.4 -0.195 119.3 71.7 166.3 -59.3 50.6 42.2 17.4 621 254 B P G >>5S+ 0 0 20 0, 0.0 3,-1.8 0, 0.0 4,-0.6 0.800 88.7 67.6 -54.6 -31.5 53.3 44.5 18.7 622 255 B Y G >4 - 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0 0 7 -2,-0.5 2,-0.4 26,-0.1 43,-0.1 -0.931 45.9 -97.5-125.5 155.5 48.6 55.3 36.6 637 270 B A + 0 0 82 41,-0.3 43,-0.5 -2,-0.3 2,-0.3 -0.600 69.4 127.7 -73.6 127.8 46.3 54.2 39.4 638 271 B S S > S- 0 0 33 -2,-0.4 3,-0.7 41,-0.1 4,-0.2 -0.951 74.3 -87.8-164.2 177.4 43.4 52.5 37.7 639 272 B A T 3 S+ 0 0 78 -2,-0.3 3,-0.1 1,-0.2 -2,-0.1 0.514 124.8 42.9 -74.9 -9.7 41.2 49.4 37.6 640 273 B V T >> S+ 0 0 2 1,-0.1 3,-1.6 2,-0.1 4,-0.9 0.286 72.9 111.8-125.4 10.1 43.7 47.8 35.1 641 274 B T H X> S+ 0 0 24 -3,-0.7 4,-2.3 1,-0.3 3,-0.6 0.845 73.1 65.4 -57.5 -34.2 47.1 48.7 36.6 642 275 B E H 3> S+ 0 0 124 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.842 97.6 55.6 -55.8 -32.6 47.7 45.0 37.4 643 276 B R H <> S+ 0 0 22 -3,-1.6 4,-1.9 2,-0.2 -1,-0.3 0.861 107.0 48.5 -70.8 -37.9 47.7 44.3 33.6 644 277 B L H < S+ 0 0 9 -4,-2.1 3,-1.4 -5,-0.3 4,-0.3 0.964 114.7 42.8 -67.1 -51.7 57.1 39.9 31.3 651 284 B E H >X S+ 0 0 0 -4,-2.9 4,-2.2 1,-0.3 3,-1.9 0.807 101.0 69.8 -70.2 -26.9 58.9 42.2 28.8 652 285 B S T 3< S+ 0 0 48 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.688 93.0 60.7 -64.0 -16.3 61.7 43.0 31.3 653 286 B K T <4 S+ 0 0 136 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.676 111.5 37.4 -75.5 -21.7 62.8 39.4 30.8 654 287 B Y T <4 S+ 0 0 81 -3,-1.9 -2,-0.2 1,-0.3 -3,-0.1 0.774 124.0 31.4-106.1 -32.8 63.4 40.0 27.1 655 288 B T < - 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