==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE,ISOMERASE 24-AUG-12 4GRD . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE CATALYTI . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 672 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25973.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 487 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 87 12.9 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 . 34 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 255 37.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 0 8 0 0 3 0 4 1 4 0 0 0 2 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 0 9 3 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 0 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 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 7 A T > 0 0 128 0, 0.0 3,-0.5 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -57.5 28.0 36.8 2.5 2 8 A A T 3 + 0 0 39 500,-0.2 500,-0.2 1,-0.2 37,-0.2 -0.595 360.0 23.3 -64.1 138.8 27.3 40.6 2.6 3 9 A H T 3 S+ 0 0 14 1,-0.2 36,-2.3 -2,-0.2 2,-0.3 0.861 89.8 126.2 75.0 44.1 28.1 41.8 6.2 4 10 A T < + 0 0 97 -3,-0.5 2,-0.3 34,-0.2 -1,-0.2 -0.885 29.6 179.8-126.9 157.7 30.5 39.2 7.5 5 11 A H - 0 0 83 -2,-0.3 33,-0.0 31,-0.1 0, 0.0 -0.969 33.3-135.1-154.6 149.0 34.0 39.4 9.1 6 12 A S S S+ 0 0 126 -2,-0.3 -1,-0.1 1,-0.2 32,-0.0 0.682 108.8 21.5 -75.6 -17.8 36.5 36.9 10.5 7 13 A A S S- 0 0 53 30,-0.1 -1,-0.2 -3,-0.0 55,-0.0 -0.443 82.9-177.9-148.8 62.0 37.0 39.2 13.5 8 14 A P - 0 0 2 0, 0.0 29,-0.3 0, 0.0 3,-0.1 -0.355 19.1-167.7 -68.0 146.3 34.1 41.6 14.0 9 15 A L S S+ 0 0 48 27,-2.9 55,-3.3 1,-0.3 56,-1.2 0.634 78.7 36.9-100.1 -21.3 34.1 44.2 16.8 10 16 A V E -ab 37 65A 0 26,-1.4 28,-1.8 53,-0.2 2,-0.4 -0.996 66.7-157.2-134.1 132.9 30.4 45.0 16.4 11 17 A G E -ab 38 66A 0 54,-1.8 56,-3.3 -2,-0.4 2,-0.5 -0.934 4.9-158.5-106.4 135.0 27.4 42.8 15.6 12 18 A V E +ab 39 67A 0 26,-2.4 28,-2.5 -2,-0.4 2,-0.3 -0.967 20.4 178.8-114.0 112.1 24.2 44.3 14.1 13 19 A L E +ab 40 68A 0 54,-3.3 56,-2.6 -2,-0.5 2,-0.3 -0.862 11.1 167.7-118.2 151.7 21.2 42.0 14.8 14 20 A M E -ab 41 69A 0 26,-1.4 28,-2.3 -2,-0.3 56,-0.2 -0.975 39.6-121.4-157.8 155.8 17.5 42.2 13.9 15 21 A G S S+ 0 0 14 54,-0.8 2,-0.3 -2,-0.3 28,-0.2 0.688 91.4 15.2 -77.7 -17.6 14.6 39.8 14.0 16 22 A S S > S- 0 0 19 26,-0.1 3,-1.8 1,-0.1 4,-0.2 -0.994 70.4-116.5-152.0 154.7 13.7 40.1 10.3 17 23 A S G > S+ 0 0 41 -2,-0.3 3,-1.7 1,-0.3 4,-0.3 0.753 111.6 73.7 -61.1 -20.5 15.1 41.4 7.0 18 24 A S G > S+ 0 0 91 1,-0.3 3,-0.6 2,-0.1 -1,-0.3 0.764 88.1 60.9 -64.8 -22.0 12.1 43.8 7.1 19 25 A D G X> S+ 0 0 23 -3,-1.8 4,-2.9 1,-0.2 3,-1.2 0.542 79.2 89.3 -78.5 -7.8 14.1 45.7 9.9 20 26 A W H <> S+ 0 0 20 -3,-1.7 4,-2.8 1,-0.3 5,-0.2 0.841 72.1 68.6 -64.0 -32.8 17.0 46.4 7.4 21 27 A D H <4 S+ 0 0 102 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.1 0.849 115.7 28.1 -53.2 -35.9 15.4 49.6 6.3 22 28 A V H X4 S+ 0 0 14 -3,-1.2 3,-1.7 -4,-0.2 4,-0.4 0.874 121.5 50.8 -85.4 -51.2 16.2 51.0 9.8 23 29 A M H >X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.3 3,-1.3 0.758 91.7 74.8 -72.2 -18.5 19.2 48.9 10.7 24 30 A K H 3X S+ 0 0 70 -4,-2.8 4,-2.3 1,-0.3 -1,-0.3 0.762 86.9 66.2 -60.1 -25.4 21.2 49.6 7.5 25 31 A H H <> S+ 0 0 59 -3,-1.7 4,-1.2 -5,-0.2 -1,-0.3 0.796 100.3 49.1 -68.1 -28.9 21.8 53.1 9.0 26 32 A A H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.4 -2,-0.2 0.923 110.2 50.3 -69.1 -47.5 23.9 51.5 11.7 27 33 A V H X S+ 0 0 0 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.884 105.1 57.9 -60.4 -39.2 25.9 49.4 9.1 28 34 A A H X S+ 0 0 42 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.916 107.7 46.6 -56.7 -43.8 26.5 52.6 7.1 29 35 A I H X S+ 0 0 4 -4,-1.2 4,-2.4 2,-0.2 6,-0.2 0.926 111.1 51.8 -63.1 -45.3 28.2 54.3 10.1 30 36 A L H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.4 0.920 112.4 45.8 -62.2 -41.5 30.3 51.1 10.8 31 37 A Q H ><5S+ 0 0 92 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.922 110.7 53.0 -63.8 -45.5 31.5 51.0 7.2 32 38 A E H 3<5S+ 0 0 105 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.858 113.9 43.2 -57.4 -39.5 32.2 54.8 7.2 33 39 A F T 3<5S- 0 0 6 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.390 111.3-119.3 -89.5 0.9 34.4 54.4 10.3 34 40 A G T < 5 + 0 0 46 -3,-1.2 -3,-0.2 -4,-0.4 -4,-0.1 0.783 54.4 162.0 66.6 29.2 36.1 51.2 9.1 35 41 A V < - 0 0 5 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.702 44.2-120.8 -84.1 121.0 34.8 49.1 12.0 36 42 A P + 0 0 32 0, 0.0 -27,-2.9 0, 0.0 -26,-1.4 -0.455 52.0 161.7 -56.8 126.1 35.0 45.3 11.4 37 43 A Y E -a 10 0A 28 -29,-0.3 2,-0.3 -33,-0.2 -26,-0.2 -0.942 35.2-150.2-146.6 162.4 31.3 44.2 11.7 38 44 A E E -a 11 0A 17 -28,-1.8 -26,-2.4 -2,-0.3 2,-0.4 -0.962 10.3-157.4-130.2 150.6 28.8 41.5 11.0 39 45 A A E +a 12 0A 10 -36,-2.3 2,-0.3 -2,-0.3 -26,-0.2 -0.999 20.5 169.6-129.0 136.2 25.1 41.9 10.4 40 46 A K E -a 13 0A 91 -28,-2.5 -26,-1.4 -2,-0.4 2,-0.7 -0.988 39.0-119.2-145.9 150.0 22.6 39.0 11.0 41 47 A V E +a 14 0A 18 -2,-0.3 2,-0.4 459,-0.2 -26,-0.2 -0.832 42.0 162.5 -89.0 111.7 19.0 38.1 11.2 42 48 A V - 0 0 4 -28,-2.3 2,-0.5 -2,-0.7 -26,-0.1 -0.934 21.6-157.2-133.7 109.4 18.5 36.7 14.7 43 49 A S > - 0 0 4 -2,-0.4 4,-1.9 -28,-0.2 8,-0.3 -0.790 12.9-152.3 -94.2 128.0 14.8 36.6 15.9 44 50 A A T 4 S+ 0 0 5 -2,-0.5 -1,-0.1 1,-0.2 7,-0.1 0.857 98.8 31.7 -58.6 -38.1 14.1 36.5 19.6 45 51 A H T 4 S+ 0 0 21 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.762 128.0 34.6 -98.5 -30.2 10.8 34.7 19.0 46 52 A R T 4 S+ 0 0 58 1,-0.1 -2,-0.2 -31,-0.1 451,-0.1 0.600 132.0 30.1 -96.4 -19.7 11.4 32.5 15.9 47 53 A M S X S+ 0 0 7 -4,-1.9 4,-2.3 1,-0.1 5,-0.2 -0.355 70.7 148.0-131.9 50.5 15.1 31.8 16.7 48 54 A P H > S+ 0 0 9 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.905 75.2 47.1 -61.3 -41.0 15.3 31.8 20.5 49 55 A D H > S+ 0 0 78 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.901 112.1 50.9 -63.8 -43.4 18.0 29.2 20.8 50 56 A E H > S+ 0 0 47 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.838 107.6 53.3 -61.4 -38.2 20.1 30.9 18.2 51 57 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 -8,-0.3 -2,-0.2 0.934 110.7 46.5 -61.5 -49.5 19.8 34.2 20.0 52 58 A F H X S+ 0 0 9 -4,-2.1 4,-2.8 -5,-0.2 -2,-0.2 0.912 112.2 51.1 -59.4 -40.4 21.0 32.6 23.2 53 59 A D H X S+ 0 0 71 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.909 109.3 50.7 -66.0 -41.1 23.9 31.0 21.3 54 60 A Y H X S+ 0 0 13 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.936 112.8 44.8 -62.4 -47.8 24.9 34.3 19.8 55 61 A A H >X S+ 0 0 1 -4,-2.3 3,-1.0 1,-0.2 4,-0.6 0.936 110.2 55.6 -62.4 -47.6 25.0 36.1 23.1 56 62 A E H 3< S+ 0 0 92 -4,-2.8 4,-0.4 1,-0.2 3,-0.3 0.880 114.3 39.8 -49.2 -44.1 26.9 33.2 24.8 57 63 A K H 3X S+ 0 0 79 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.529 90.8 92.1 -86.9 -9.1 29.7 33.4 22.2 58 64 A A H <<>S+ 0 0 0 -3,-1.0 5,-1.8 -4,-0.8 4,-0.4 0.893 86.8 44.9 -58.5 -46.2 29.9 37.2 21.9 59 65 A R T ><5S+ 0 0 79 -4,-0.6 3,-1.9 -3,-0.3 -1,-0.2 0.967 113.8 47.1 -67.9 -49.7 32.6 37.9 24.5 60 66 A E T 345S+ 0 0 151 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.821 107.2 59.9 -61.7 -29.9 35.0 35.1 23.5 61 67 A R T 3<5S- 0 0 96 -4,-2.0 -1,-0.3 1,-0.1 -2,-0.2 0.568 119.1-109.5 -74.2 -9.2 34.6 36.1 19.8 62 68 A G T < 5 + 0 0 35 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.500 59.4 160.9 95.0 6.7 36.0 39.6 20.6 63 69 A L < - 0 0 8 -5,-1.8 -1,-0.3 -6,-0.2 -53,-0.2 -0.378 21.7-172.8 -62.5 136.9 32.7 41.6 20.1 64 70 A R S S+ 0 0 45 -55,-3.3 2,-0.3 1,-0.4 -54,-0.2 0.591 70.6 7.4-103.8 -18.4 32.9 45.0 21.8 65 71 A A E -b 10 0A 1 -56,-1.2 -54,-1.8 21,-0.1 2,-0.5 -0.967 57.7-148.9-157.5 147.5 29.2 45.9 21.2 66 72 A I E -bc 11 88A 0 21,-2.5 23,-3.0 -2,-0.3 2,-0.5 -0.990 12.4-158.8-118.4 119.2 26.0 44.3 19.9 67 73 A I E -bc 12 89A 0 -56,-3.3 -54,-3.3 -2,-0.5 2,-0.4 -0.871 17.4-176.9 -91.6 122.7 23.6 46.6 18.2 68 74 A A E -bc 13 90A 0 21,-2.7 23,-2.4 -2,-0.5 2,-0.4 -0.984 9.6-165.1-130.9 124.1 20.1 45.0 18.2 69 75 A G E +bc 14 91A 0 -56,-2.6 -54,-0.8 -2,-0.4 2,-0.3 -0.885 18.4 153.2-109.4 140.7 16.9 46.4 16.6 70 76 A A E - c 0 92A 10 21,-1.8 23,-2.3 -2,-0.4 2,-0.3 -0.980 22.0-150.7-160.4 156.7 13.4 45.2 17.2 71 77 A G E + c 0 93A 23 -2,-0.3 2,-0.3 21,-0.2 4,-0.2 -0.853 60.2 7.3-130.2 162.6 9.9 46.5 17.2 72 78 A G S S+ 0 0 8 21,-0.5 2,-1.8 -2,-0.3 34,-0.3 -0.561 136.2 11.5 73.3-127.8 6.5 45.9 18.9 73 79 A A S S- 0 0 2 543,-1.7 2,-0.9 -2,-0.3 -2,-0.2 -0.689 93.9-167.5 -79.1 84.4 7.1 43.5 21.9 74 80 A A + 0 0 0 -2,-1.8 4,-0.3 28,-0.3 -2,-0.1 -0.734 28.1 150.7 -90.8 98.6 10.8 44.1 21.3 75 81 A H > + 0 0 1 -2,-0.9 4,-2.4 -4,-0.2 5,-0.3 0.581 45.0 89.8-106.3 -14.5 12.6 41.4 23.3 76 82 A L H > S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.917 89.2 45.2 -58.1 -51.5 15.8 40.9 21.3 77 83 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.949 116.2 46.0 -56.9 -48.2 18.0 43.6 23.0 78 84 A G H > S+ 0 0 1 -4,-0.3 4,-1.6 1,-0.2 -2,-0.2 0.875 114.0 47.0 -65.4 -39.4 17.0 42.6 26.5 79 85 A M H X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 -1,-0.2 0.850 110.8 51.8 -78.4 -31.2 17.4 38.9 26.0 80 86 A L H >X S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.3 4,-0.7 0.963 111.2 49.0 -57.9 -47.3 20.8 39.3 24.3 81 87 A A H >< S+ 0 0 2 -4,-2.5 3,-0.6 1,-0.3 -2,-0.2 0.845 103.8 60.0 -66.6 -27.9 21.8 41.4 27.3 82 88 A A H 3< S+ 0 0 8 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.785 113.3 38.9 -66.5 -22.4 20.5 38.6 29.7 83 89 A K H << S+ 0 0 34 -3,-1.4 2,-0.3 -4,-0.7 -1,-0.2 0.361 117.2 41.3-116.9 2.2 23.0 36.2 28.1 84 90 A T << - 0 0 10 -4,-0.7 -28,-0.1 -3,-0.6 4,-0.1 -0.987 54.5-148.9-144.5 151.5 26.1 38.3 27.6 85 91 A T + 0 0 23 -2,-0.3 222,-0.1 -30,-0.2 -4,-0.1 0.383 69.9 111.6 -95.1 0.2 28.1 41.0 29.5 86 92 A V S S- 0 0 6 -31,-0.2 -21,-0.1 1,-0.1 -2,-0.1 -0.532 88.9 -89.7 -65.2 134.2 29.2 42.6 26.2 87 93 A P - 0 0 8 0, 0.0 -21,-2.5 0, 0.0 2,-0.5 -0.317 42.3-152.6 -50.8 128.7 27.5 46.0 25.8 88 94 A V E -c 66 0A 2 27,-0.3 29,-2.3 -23,-0.2 2,-0.6 -0.935 5.8-162.7-110.9 127.8 24.0 45.7 24.1 89 95 A L E -cd 67 117A 0 -23,-3.0 -21,-2.7 -2,-0.5 2,-0.4 -0.949 11.9-152.0-115.3 108.9 22.8 48.8 22.2 90 96 A G E -cd 68 118A 0 27,-2.8 29,-2.2 -2,-0.6 -21,-0.2 -0.730 10.2-167.1 -96.2 135.3 19.0 48.7 21.5 91 97 A V E -c 69 0A 0 -23,-2.4 -21,-1.8 -2,-0.4 2,-0.5 -0.959 16.8-141.4-118.6 109.9 17.3 50.3 18.6 92 98 A P E -c 70 0A 0 0, 0.0 30,-3.2 0, 0.0 2,-0.5 -0.626 15.0-151.0 -72.9 126.6 13.5 50.6 18.7 93 99 A V E -c 71 0A 11 -23,-2.3 -21,-0.5 -2,-0.5 10,-0.2 -0.835 26.4-106.6 -96.7 133.4 12.1 50.0 15.3 94 100 A A - 0 0 55 -2,-0.5 2,-0.2 5,-0.1 -23,-0.1 -0.311 32.1-141.5 -65.1 140.4 8.8 51.7 14.6 95 101 A S > - 0 0 20 1,-0.1 4,-1.1 -23,-0.1 6,-0.1 -0.601 21.0-110.1 -98.8 160.1 5.8 49.6 14.6 96 102 A K T 4 S+ 0 0 135 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.892 108.3 17.5 -61.5 -45.9 2.8 50.0 12.2 97 103 A Y T 4 S+ 0 0 39 362,-0.1 -1,-0.2 1,-0.1 342,-0.1 0.862 131.0 39.8 -98.7 -42.2 0.2 51.2 14.7 98 104 A L T >4 S- 0 0 15 361,-0.1 3,-1.9 340,-0.1 -2,-0.2 0.439 94.1-134.2 -93.9 -2.5 2.0 52.4 17.8 99 105 A K T 3< - 0 0 108 -4,-1.1 -5,-0.1 1,-0.3 -3,-0.1 0.753 69.8 -50.7 62.4 29.4 4.9 54.0 15.9 100 106 A G T 3> S+ 0 0 0 -7,-0.2 4,-3.1 21,-0.0 -1,-0.3 0.409 109.3 115.6 86.7 -0.3 7.6 52.5 18.1 101 107 A V H <> S+ 0 0 63 -3,-1.9 4,-2.4 2,-0.2 5,-0.2 0.929 85.4 44.1 -59.4 -46.3 6.1 53.6 21.5 102 108 A D H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -28,-0.3 0.941 113.4 51.1 -61.3 -43.7 5.7 49.9 22.2 103 109 A S H > S+ 0 0 0 1,-0.2 4,-1.1 2,-0.2 5,-0.2 0.928 110.5 49.0 -59.7 -47.3 9.2 49.2 20.9 104 110 A L H >X S+ 0 0 6 -4,-3.1 4,-2.9 1,-0.2 3,-0.8 0.948 112.3 46.6 -62.0 -51.1 10.7 51.9 23.1 105 111 A H H 3X S+ 0 0 19 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.904 110.7 54.2 -53.5 -46.0 9.0 50.7 26.3 106 112 A S H 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -34,-0.3 -2,-0.2 0.684 119.2 32.0 -63.3 -26.0 10.0 47.1 25.6 107 113 A I H << S+ 0 0 0 -4,-1.1 3,-0.4 -3,-0.8 -2,-0.2 0.855 119.9 42.6-100.7 -46.1 13.7 48.0 25.2 108 114 A V H < S+ 0 0 1 -4,-2.9 2,-1.3 1,-0.2 181,-0.2 0.849 97.0 73.6 -79.7 -28.8 14.5 50.9 27.5 109 115 A Q < + 0 0 16 -4,-1.5 471,-2.1 -5,-0.4 -1,-0.2 -0.067 63.3 153.2 -85.1 39.0 12.6 49.8 30.7 110 116 A M - 0 0 2 -2,-1.3 179,-0.3 -3,-0.4 187,-0.1 -0.449 43.9-119.1 -66.9 133.3 15.0 47.1 31.7 111 117 A P > - 0 0 56 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.247 46.8 -68.5 -67.4 162.7 15.0 46.3 35.5 112 118 A K T 3 S+ 0 0 114 1,-0.2 182,-0.1 3,-0.0 181,-0.1 -0.260 116.4 37.8 -52.4 133.2 18.1 46.7 37.6 113 119 A G T 3 S+ 0 0 1 180,-0.2 -1,-0.2 -3,-0.1 211,-0.1 -0.017 106.3 59.1 118.7 -27.7 20.8 44.2 36.8 114 120 A V S < S- 0 0 2 -3,-1.4 2,-0.2 2,-0.0 -32,-0.1 -0.828 73.0-162.6-135.0 89.9 20.6 43.8 33.0 115 121 A P - 0 0 13 0, 0.0 2,-0.4 0, 0.0 -27,-0.3 -0.485 12.7-171.1 -77.6 147.6 21.2 47.1 31.1 116 122 A V - 0 0 1 -8,-0.2 2,-0.6 -2,-0.2 -27,-0.2 -0.975 21.9-137.6-129.7 121.8 20.4 47.9 27.5 117 123 A A E -d 89 0A 0 -29,-2.3 -27,-2.8 -2,-0.4 2,-0.4 -0.691 30.1-155.5 -73.5 117.2 21.7 51.2 26.2 118 124 A T E -dE 90 287A 0 169,-2.4 169,-2.5 -2,-0.6 2,-0.2 -0.794 12.8-170.1-109.0 140.5 18.7 52.5 24.2 119 125 A F - 0 0 1 -29,-2.2 6,-0.2 -2,-0.4 159,-0.1 -0.588 38.6 -58.3-118.2 177.3 18.6 55.0 21.3 120 126 A A - 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0 0 6 -5,-2.2 -1,-0.3 -6,-0.2 -53,-0.2 -0.481 20.4-173.8 -62.3 135.9 36.9 59.6 31.8 233 70 B R S S+ 0 0 33 -55,-3.4 2,-0.3 1,-0.4 -54,-0.2 0.545 70.1 9.6-106.0 -18.2 35.6 56.5 30.0 234 71 B A E -g 179 0A 2 -56,-1.1 -54,-1.9 21,-0.1 2,-0.5 -0.949 57.9-149.5-159.2 146.9 31.9 57.3 30.6 235 72 B I E -gh 180 257A 0 21,-2.5 23,-3.2 -2,-0.3 2,-0.5 -0.988 11.8-160.0-118.7 121.1 29.7 60.1 31.9 236 73 B I E -gh 181 258A 0 -56,-3.5 -54,-3.1 -2,-0.5 2,-0.4 -0.877 17.4-177.2 -98.6 124.3 26.4 59.0 33.6 237 74 B A E -gh 182 259A 0 21,-2.9 23,-2.7 -2,-0.5 2,-0.4 -0.988 10.4-164.7-132.1 127.1 24.0 62.0 33.6 238 75 B G E +gh 183 260A 0 -56,-2.3 -54,-0.8 -2,-0.4 2,-0.3 -0.891 17.9 153.0-112.1 143.9 20.6 62.2 35.1 239 76 B A E - h 0 261A 10 21,-1.8 23,-2.6 -2,-0.4 2,-0.3 -0.979 21.8-150.6-162.0 155.1 17.9 64.8 34.5 240 77 B G + 0 0 35 -2,-0.3 2,-0.3 21,-0.2 4,-0.2 -0.859 60.8 8.4-130.9 162.9 14.1 65.1 34.5 241 78 B G S S+ 0 0 16 21,-0.5 2,-1.9 -2,-0.3 34,-0.3 -0.567 135.5 10.9 74.0-131.4 11.5 67.2 32.7 242 79 B A S S- 0 0 61 -2,-0.3 2,-0.9 32,-0.1 -2,-0.2 -0.687 93.8-166.9 -76.0 86.1 13.0 69.0 29.8 243 80 B A + 0 0 2 -2,-1.9 4,-0.2 28,-0.3 -2,-0.1 -0.735 29.2 149.5 -93.2 101.5 16.0 66.9 30.4 244 81 B H > + 0 0 85 -2,-0.9 4,-2.5 -4,-0.2 5,-0.3 0.549 44.6 90.4-109.1 -14.2 18.9 68.4 28.4 245 82 B L H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 89.3 45.4 -58.0 -48.3 22.0 67.6 30.5 246 83 B P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.951 116.1 45.5 -63.3 -43.2 22.8 64.2 28.8 247 84 B G H > S+ 0 0 12 -4,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.873 113.9 48.4 -68.6 -36.0 22.4 65.4 25.2 248 85 B M H X S+ 0 0 73 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.861 110.7 50.3 -75.4 -35.0 24.3 68.7 25.7 249 86 B L H >X S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.3 4,-0.6 0.947 110.6 51.2 -57.9 -48.6 27.2 66.8 27.4 250 87 B A H >< S+ 0 0 1 -4,-2.6 3,-0.5 1,-0.3 -2,-0.2 0.804 103.4 58.8 -61.8 -30.2 27.2 64.4 24.4 251 88 B A H 3< S+ 0 0 44 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.709 112.3 41.1 -67.4 -19.6 27.3 67.5 22.0 252 89 B K H << S+ 0 0 72 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 0.366 117.7 36.0-118.4 3.5 30.6 68.5 23.6 253 90 B T << - 0 0 12 -4,-0.6 -1,-0.1 -3,-0.5 -28,-0.1 -0.981 55.7-147.0-149.7 153.1 32.5 65.2 24.1 254 91 B T + 0 0 20 -2,-0.3 -116,-0.1 -30,-0.1 3,-0.1 0.338 68.7 112.0-100.0 3.7 32.9 62.0 22.3 255 92 B V S S- 0 0 6 -31,-0.2 -21,-0.1 1,-0.1 -2,-0.1 -0.557 89.0 -85.5 -66.9 139.9 33.3 60.0 25.5 256 93 B P - 0 0 5 0, 0.0 -21,-2.5 0, 0.0 2,-0.5 -0.241 43.6-155.3 -50.9 126.7 30.2 57.7 26.0 257 94 B V E -h 235 0A 2 27,-0.3 29,-2.1 -23,-0.2 2,-0.6 -0.960 3.9-162.3-110.2 127.4 27.3 59.6 27.7 258 95 B L E -hi 236 286A 0 -23,-3.2 -21,-2.9 -2,-0.5 2,-0.4 -0.940 11.9-151.5-115.1 110.8 24.8 57.4 29.6 259 96 B G E -hi 237 287A 0 27,-2.9 29,-2.2 -2,-0.6 -21,-0.2 -0.729 10.5-166.7 -97.3 136.3 21.5 59.1 30.2 260 97 B V E -h 238 0A 0 -23,-2.7 -21,-1.8 -2,-0.4 2,-0.5 -0.962 17.0-141.2-121.0 111.2 19.2 58.4 33.2 261 98 B P E -h 239 0A 0 0, 0.0 30,-3.0 0, 0.0 2,-0.5 -0.638 16.2-151.7 -72.6 119.2 15.6 59.9 33.0 262 99 B V - 0 0 13 -23,-2.6 -21,-0.5 -2,-0.5 10,-0.2 -0.824 26.7-106.7 -90.6 132.5 14.7 61.1 36.5 263 100 B A - 0 0 29 -2,-0.5 2,-0.2 5,-0.1 -23,-0.1 -0.320 31.4-140.6 -65.2 137.8 10.9 61.0 37.0 264 101 B S > - 0 0 23 1,-0.1 4,-1.1 -23,-0.1 6,-0.1 -0.568 21.0-110.2 -94.8 158.7 9.1 64.2 37.1 265 102 B K T 4 S+ 0 0 160 -2,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.899 108.5 17.1 -59.0 -47.5 6.3 65.2 39.4 266 103 B Y T 4 S+ 0 0 173 1,-0.1 -1,-0.1 2,-0.0 -3,-0.0 0.853 130.9 40.5 -99.4 -42.9 3.4 65.2 37.0 267 104 B L T >4 S- 0 0 104 1,-0.0 3,-2.0 2,-0.0 -2,-0.1 0.431 94.3-134.1 -92.6 -0.4 4.5 63.3 33.8 268 105 B K T 3< - 0 0 82 -4,-1.1 -5,-0.1 1,-0.3 -3,-0.1 0.758 69.8 -52.0 58.1 33.1 6.4 60.6 35.8 269 106 B G T 3> S+ 0 0 0 -7,-0.1 4,-2.6 21,-0.0 -1,-0.3 0.474 108.5 116.7 85.6 3.7 9.4 60.7 33.6 270 107 B V H <> S+ 0 0 55 -3,-2.0 4,-2.3 2,-0.2 5,-0.2 0.920 85.3 45.5 -64.0 -45.2 7.7 60.4 30.2 271 108 B D H > S+ 0 0 39 2,-0.2 4,-2.5 1,-0.2 -28,-0.3 0.923 112.1 52.2 -59.6 -45.9 9.0 63.9 29.4 272 109 B S H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.926 110.5 47.5 -55.6 -46.8 12.4 63.0 30.8 273 110 B L H >X S+ 0 0 4 -4,-2.6 4,-3.0 1,-0.2 3,-0.6 0.934 112.5 48.3 -64.3 -47.3 12.6 59.9 28.6 274 111 B H H 3X S+ 0 0 99 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.905 110.2 51.9 -58.2 -42.4 11.6 61.7 25.5 275 112 B S H 3< S+ 0 0 45 -4,-2.5 -1,-0.2 -34,-0.3 -2,-0.2 0.684 119.9 35.0 -70.7 -22.2 14.1 64.5 26.1 276 113 B I H X< S+ 0 0 2 -4,-1.2 3,-0.5 -3,-0.6 -2,-0.2 0.864 119.1 41.0 -97.9 -49.2 17.0 62.1 26.5 277 114 B V H 3< S+ 0 0 1 -4,-3.0 2,-0.9 1,-0.2 -157,-0.3 0.827 97.1 74.8 -77.4 -29.9 16.4 59.1 24.2 278 115 B Q T 3< + 0 0 82 -4,-1.4 -1,-0.2 -5,-0.4 -4,-0.1 0.025 63.0 153.4 -80.3 34.1 15.2 61.0 21.1 279 116 B M < - 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0 0 2 -2,-1.0 -159,-0.3 -3,-0.5 -151,-0.1 -0.385 43.2-120.8 -62.5 132.9 3.8 40.0 20.0 618 117 D P > - 0 0 59 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.271 46.4 -67.1 -72.9 164.0 4.4 39.7 16.3 619 118 D K T 3 S+ 0 0 117 1,-0.2 -156,-0.1 3,-0.0 -157,-0.1 -0.234 116.8 37.0 -51.3 129.9 2.7 37.0 14.2 620 119 D G T 3 S+ 0 0 2 -158,-0.2 -1,-0.2 -3,-0.1 -127,-0.1 -0.037 106.3 59.5 123.4 -30.1 3.8 33.4 15.0 621 120 D V S < S- 0 0 4 -3,-1.4 2,-0.1 2,-0.0 -32,-0.1 -0.848 72.1-162.7-132.1 93.3 4.2 33.5 18.8 622 121 D P - 0 0 8 0, 0.0 2,-0.4 0, 0.0 -27,-0.3 -0.483 12.9-171.9 -80.7 147.4 1.0 34.4 20.7 623 122 D V - 0 0 1 -8,-0.2 2,-0.6 -2,-0.1 -27,-0.2 -0.966 22.3-137.6-131.4 121.0 0.6 35.5 24.2 624 123 D A E - r 0 596B 0 -29,-2.2 -27,-3.0 -2,-0.4 2,-0.4 -0.678 30.7-155.4 -72.9 117.6 -2.9 35.8 25.6 625 124 D T E -Nr 456 597B 0 -169,-2.3 -169,-2.2 -2,-0.6 -27,-0.2 -0.830 12.4-168.5-110.3 139.3 -2.8 39.1 27.6 626 125 D F - 0 0 2 -29,-2.3 6,-0.2 -2,-0.4 -179,-0.1 -0.528 37.5 -59.0-116.2 178.7 -4.9 40.2 30.5 627 126 D A - 0 0 4 -179,-0.3 5,-0.3 -181,-0.3 -1,-0.2 -0.137 63.9 -88.8 -59.5 153.1 -5.5 43.5 32.4 628 127 D I S > S- 0 0 39 -30,-0.1 3,-0.5 4,-0.1 -28,-0.2 -0.446 88.1 -15.1 -59.7 127.0 -2.8 45.3 34.2 629 128 D G T >> S- 0 0 2 -30,-3.1 4,-1.9 1,-0.2 3,-0.7 -0.307 119.7 -7.1 87.2-156.3 -2.4 44.1 37.7 630 129 D E H 3> S+ 0 0 94 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.759 127.7 57.3 -56.0 -31.9 -4.4 42.0 40.1 631 130 D A H <> S+ 0 0 28 -3,-0.5 4,-2.5 2,-0.2 -180,-0.3 0.919 109.0 45.8 -64.0 -45.2 -7.5 41.9 37.8 632 131 D G H <> S+ 0 0 0 -3,-0.7 4,-2.6 -5,-0.3 -2,-0.2 0.841 110.4 54.2 -65.9 -34.8 -5.4 40.4 35.0 633 132 D A H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.966 112.4 42.7 -63.0 -51.6 -3.8 37.9 37.4 634 133 D A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.935 116.4 49.5 -58.0 -45.8 -7.2 36.6 38.6 635 134 D N H X S+ 0 0 2 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.857 104.5 56.8 -68.1 -34.3 -8.5 36.7 35.0 636 135 D A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.900 110.6 46.1 -59.3 -41.2 -5.5 34.7 33.6 637 136 D A H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.910 111.6 50.0 -67.6 -44.1 -6.4 32.0 36.2 638 137 D L H X S+ 0 0 3 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.894 110.7 51.5 -59.7 -39.5 -10.1 32.1 35.3 639 138 D F H X S+ 0 0 2 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.917 105.5 54.4 -64.5 -42.2 -9.1 31.8 31.7 640 139 D A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.912 107.2 51.6 -55.8 -43.2 -6.9 28.8 32.4 641 140 D V H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.914 105.9 54.6 -62.3 -39.1 -10.0 27.2 34.0 642 141 D S H < S+ 0 0 9 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.878 108.3 49.4 -62.5 -36.5 -11.9 27.9 30.8 643 142 D I H >< S+ 0 0 3 -4,-1.9 3,-1.5 1,-0.2 4,-0.3 0.942 111.2 48.6 -60.5 -50.7 -9.2 26.0 28.9 644 143 D L H >< S+ 0 0 3 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.822 101.8 64.8 -62.1 -30.0 -9.4 23.1 31.3 645 144 D S G >< S+ 0 0 5 -4,-2.3 3,-0.7 1,-0.3 -1,-0.3 0.640 81.0 80.6 -69.4 -17.2 -13.3 23.1 30.9 646 145 D G G < S+ 0 0 31 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.746 113.8 15.7 -59.1 -24.3 -12.9 22.2 27.3 647 146 D N G < S+ 0 0 77 -3,-1.5 2,-0.3 -4,-0.3 -1,-0.2 0.019 116.9 74.8-139.5 30.3 -12.4 18.6 28.4 648 147 D S <> - 0 0 30 -3,-0.7 4,-2.4 1,-0.1 5,-0.2 -0.897 50.2-165.1-146.0 115.8 -13.6 18.4 32.0 649 148 D V H > S+ 0 0 109 -2,-0.3 4,-3.0 1,-0.2 5,-0.2 0.880 95.0 58.4 -63.5 -35.1 -17.2 18.5 33.1 650 149 D D H > S+ 0 0 92 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 110.4 39.9 -60.7 -48.8 -15.9 19.3 36.7 651 150 D Y H > S+ 0 0 26 2,-0.2 4,-2.4 -7,-0.2 -6,-0.2 0.908 114.9 53.9 -70.6 -34.7 -14.2 22.5 35.6 652 151 D A H X S+ 0 0 16 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.945 111.7 45.0 -59.9 -47.8 -17.1 23.4 33.2 653 152 D N H X S+ 0 0 104 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.927 112.2 51.0 -62.3 -46.4 -19.5 23.0 36.1 654 153 D R H X S+ 0 0 105 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.888 110.9 48.8 -61.5 -38.2 -17.3 25.0 38.5 655 154 D L H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.930 110.8 49.4 -69.9 -43.1 -17.0 27.9 36.0 656 155 D A H X S+ 0 0 50 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.923 113.2 47.8 -57.0 -43.2 -20.7 28.0 35.4 657 156 D A H X S+ 0 0 42 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.891 108.1 55.6 -69.4 -37.6 -21.4 28.1 39.2 658 157 D F H X S+ 0 0 18 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.915 107.4 49.1 -58.5 -46.5 -18.7 30.8 39.6 659 158 D R H X S+ 0 0 44 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.890 111.4 48.5 -62.6 -41.4 -20.5 33.0 37.1 660 159 D V H X S+ 0 0 78 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.927 111.4 50.2 -65.2 -43.2 -23.9 32.6 38.7 661 160 D R H X S+ 0 0 120 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.886 109.9 51.3 -59.6 -41.9 -22.4 33.3 42.2 662 161 D Q H X S+ 0 0 62 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.860 109.6 49.6 -60.2 -44.0 -20.8 36.5 40.7 663 162 D N H X S+ 0 0 95 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.911 111.3 49.2 -61.5 -46.2 -24.1 37.6 39.3 664 163 D E H X S+ 0 0 112 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.902 108.8 53.0 -58.2 -45.5 -25.8 37.0 42.7 665 164 D A H < S+ 0 0 59 -4,-2.5 4,-0.3 2,-0.2 -1,-0.2 0.862 108.8 49.7 -59.4 -36.6 -23.1 39.0 44.5 666 165 D A H >< S+ 0 0 62 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.934 109.0 52.6 -72.4 -40.2 -23.7 41.9 42.1 667 166 D H H 3< S+ 0 0 149 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.821 105.1 56.2 -56.7 -34.4 -27.4 41.7 42.8 668 167 D A T 3< S+ 0 0 75 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.510 81.4 113.6 -81.8 -3.3 -26.8 41.9 46.6 669 168 D M < - 0 0 154 -3,-1.4 2,-0.4 -4,-0.3 -3,-0.0 -0.410 52.1-156.1 -71.5 146.0 -24.8 45.1 46.4 670 169 D V - 0 0 124 -2,-0.1 -2,-0.1 0, 0.0 -1,-0.0 -0.967 11.5-144.5-127.2 135.0 -26.5 48.1 48.1 671 170 D L - 0 0 164 -2,-0.4 -2,-0.0 1,-0.0 0, 0.0 -0.904 27.8-137.4 -97.4 125.1 -26.0 51.8 47.4 672 171 D P - 0 0 104 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.240 25.4 -89.0 -80.6 163.4 -26.2 53.8 50.7 673 172 D P - 0 0 122 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.327 53.9 -89.9 -62.8 153.2 -28.1 57.1 51.2 674 173 D L 0 0 171 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.445 360.0 360.0 -59.0 137.2 -26.1 60.3 50.6 675 174 D E 0 0 174 -2,-0.1 -1,-0.1 -3,-0.1 0, 0.0 0.545 360.0 360.0 -87.5 360.0 -24.4 61.3 53.9