==== 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 LYASE 04-NOV-06 2NSL . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE CATALYTI . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.E.EALICK,M.MORAR . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9159.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 13.0 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 . 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 61 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 1 1 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 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 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 7 A P 0 0 124 0, 0.0 2,-0.8 0, 0.0 55,-0.1 0.000 360.0 360.0 360.0 161.5 7.9 -41.1 -12.0 2 8 A A + 0 0 29 53,-0.2 29,-0.2 1,-0.2 3,-0.0 -0.730 360.0 178.0 -83.6 112.5 7.6 -37.4 -12.5 3 9 A R + 0 0 101 -2,-0.8 55,-3.3 27,-0.7 56,-1.2 0.467 66.0 50.4 -92.3 -3.3 6.2 -36.7 -15.9 4 10 A V E -ab 31 59A 0 26,-0.6 28,-2.1 53,-0.2 2,-0.4 -0.998 64.3-160.0-139.9 140.1 6.2 -33.0 -15.5 5 11 A A E -ab 32 60A 0 54,-1.7 56,-3.0 -2,-0.4 2,-0.6 -0.952 5.8-154.8-121.3 138.8 8.8 -30.4 -14.4 6 12 A I E +ab 33 61A 0 26,-3.6 28,-2.5 -2,-0.4 2,-0.3 -0.950 22.5 173.3-112.9 114.4 8.2 -26.9 -13.1 7 13 A V E -ab 34 62A 0 54,-3.1 56,-2.5 -2,-0.6 2,-0.3 -0.869 7.3-176.5-121.1 156.3 11.2 -24.6 -13.7 8 14 A M E -ab 35 63A 3 26,-1.3 28,-2.1 -2,-0.3 56,-0.2 -0.992 34.3-121.4-150.2 152.7 11.6 -20.8 -13.1 9 15 A G S S+ 0 0 12 54,-1.9 2,-0.3 -2,-0.3 31,-0.2 0.772 92.7 12.1 -66.3 -28.5 14.2 -18.2 -13.6 10 16 A S > - 0 0 26 53,-0.2 3,-2.0 26,-0.1 4,-0.4 -0.987 68.3-118.1-149.2 156.8 14.5 -17.1 -10.0 11 17 A K G > S+ 0 0 179 -2,-0.3 3,-1.4 1,-0.3 4,-0.3 0.776 113.9 68.9 -64.7 -23.1 13.5 -18.2 -6.5 12 18 A S G 3 S+ 0 0 88 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.634 89.9 63.6 -69.9 -10.7 11.6 -14.9 -6.4 13 19 A D G X> S+ 0 0 13 -3,-2.0 4,-2.6 1,-0.2 3,-2.1 0.673 79.7 84.1 -83.5 -19.4 9.3 -16.5 -9.0 14 20 A W H <> S+ 0 0 102 -3,-1.4 4,-2.4 -4,-0.4 -1,-0.2 0.816 76.4 66.8 -53.1 -36.4 8.3 -19.2 -6.5 15 21 A A H 34 S+ 0 0 54 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.780 115.7 30.6 -57.1 -25.2 5.6 -16.9 -5.0 16 22 A T H X4 S+ 0 0 12 -3,-2.1 3,-1.8 -4,-0.1 4,-0.3 0.868 119.3 49.8 -96.4 -54.8 3.9 -17.3 -8.4 17 23 A M H >X S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 4,-1.6 0.693 90.4 81.6 -61.2 -19.5 4.9 -20.7 -9.5 18 24 A Q H 3X S+ 0 0 83 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.3 0.812 84.9 61.7 -56.9 -28.3 3.9 -22.2 -6.2 19 25 A F H <> S+ 0 0 65 -3,-1.8 4,-1.0 2,-0.2 -1,-0.3 0.727 99.0 53.9 -72.4 -20.0 0.3 -22.2 -7.5 20 26 A A H <> S+ 0 0 0 -3,-1.9 4,-1.5 -4,-0.3 3,-0.5 0.937 110.1 47.0 -74.9 -47.9 1.3 -24.6 -10.4 21 27 A A H X S+ 0 0 5 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.879 105.1 61.3 -59.3 -38.8 2.7 -27.0 -7.8 22 28 A E H X S+ 0 0 91 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.879 101.6 52.5 -56.4 -40.4 -0.4 -26.6 -5.7 23 29 A I H X S+ 0 0 8 -4,-1.0 4,-2.3 -3,-0.5 -1,-0.2 0.930 107.9 50.5 -61.7 -45.7 -2.5 -28.0 -8.6 24 30 A F H <>S+ 0 0 1 -4,-1.5 5,-3.2 1,-0.2 4,-0.3 0.823 108.9 52.6 -63.2 -30.9 -0.2 -31.1 -8.9 25 31 A E H ><5S+ 0 0 137 -4,-1.8 3,-1.0 3,-0.2 -1,-0.2 0.938 110.2 47.4 -69.6 -45.8 -0.6 -31.7 -5.2 26 32 A I H 3<5S+ 0 0 92 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.875 118.0 42.0 -61.6 -38.8 -4.4 -31.6 -5.4 27 33 A L T 3<5S- 0 0 3 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.371 109.4-122.4 -90.3 2.3 -4.4 -33.9 -8.4 28 34 A N T < 5 + 0 0 118 -3,-1.0 -3,-0.2 -4,-0.3 -4,-0.1 0.956 55.1 158.4 54.2 54.5 -1.7 -36.2 -7.0 29 35 A V < - 0 0 10 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.942 42.7-126.0-114.1 113.7 0.6 -35.7 -9.9 30 36 A P + 0 0 75 0, 0.0 -27,-0.7 0, 0.0 -26,-0.6 -0.330 41.5 174.2 -57.0 131.2 4.3 -36.4 -9.3 31 37 A H E -a 4 0A 54 -29,-0.2 2,-0.4 -28,-0.1 -26,-0.2 -0.991 30.9-135.3-146.1 153.8 6.4 -33.3 -10.3 32 38 A H E -a 5 0A 60 -28,-2.1 -26,-3.6 -2,-0.3 2,-0.4 -0.842 19.0-164.2-105.5 141.9 9.9 -31.9 -10.3 33 39 A V E +a 6 0A 56 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.994 19.1 153.3-129.0 131.8 10.5 -28.3 -9.2 34 40 A E E -a 7 0A 51 -28,-2.5 -26,-1.3 -2,-0.4 2,-0.7 -0.991 43.6-119.1-160.0 148.2 13.7 -26.4 -9.9 35 41 A V E +a 8 0A 65 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.800 39.1 168.6 -90.1 117.0 15.2 -23.0 -10.4 36 42 A V - 0 0 0 -28,-2.1 2,-0.5 -2,-0.7 3,-0.1 -0.989 13.3-165.9-132.1 121.4 16.8 -22.8 -13.9 37 43 A S > - 0 0 10 -2,-0.4 4,-1.9 1,-0.1 8,-0.3 -0.935 19.2-161.9-115.4 129.4 17.9 -19.5 -15.4 38 44 A A T 4 S+ 0 0 16 -2,-0.5 -1,-0.1 1,-0.2 8,-0.1 0.810 99.9 41.4 -72.0 -29.2 18.7 -18.9 -19.0 39 45 A N T 4 S+ 0 0 113 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.831 127.9 26.5 -88.1 -34.9 20.6 -15.8 -18.0 40 46 A R T 4 S+ 0 0 188 -31,-0.2 -2,-0.2 1,-0.1 3,-0.1 0.695 135.5 26.3-102.3 -24.4 22.3 -17.0 -14.8 41 47 A T X + 0 0 48 -4,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.361 69.8 152.1-135.1 54.7 22.7 -20.7 -15.4 42 48 A P H > S+ 0 0 61 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.864 74.8 50.5 -53.8 -42.2 22.7 -21.0 -19.2 43 49 A D H > S+ 0 0 139 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.941 110.1 49.6 -64.7 -45.2 24.8 -24.1 -19.3 44 50 A K H > S+ 0 0 85 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.867 106.8 56.6 -60.8 -36.8 22.5 -25.8 -16.8 45 51 A L H X S+ 0 0 2 -4,-2.2 4,-2.9 -8,-0.3 5,-0.2 0.949 108.0 47.9 -59.7 -47.9 19.5 -24.9 -18.9 46 52 A F H X S+ 0 0 82 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.938 113.3 46.0 -58.9 -48.2 21.0 -26.6 -21.8 47 53 A S H X S+ 0 0 61 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.918 113.9 50.4 -62.3 -41.0 21.8 -29.8 -19.9 48 54 A F H < S+ 0 0 14 -4,-3.0 4,-0.5 -5,-0.2 -2,-0.2 0.916 114.0 43.4 -61.9 -45.6 18.4 -29.7 -18.4 49 55 A A H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 4,-0.5 0.938 112.6 52.2 -66.3 -47.4 16.6 -29.3 -21.7 50 56 A E H 3< S+ 0 0 97 -4,-3.0 4,-0.3 1,-0.3 3,-0.2 0.829 115.5 40.9 -59.0 -34.9 18.8 -31.9 -23.5 51 57 A S T 3X S+ 0 0 33 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.3 0.431 86.5 100.2 -95.4 1.4 18.1 -34.5 -20.8 52 58 A A T <4>S+ 0 0 0 -3,-1.1 5,-2.0 -4,-0.5 4,-0.2 0.912 84.8 43.5 -51.5 -53.2 14.4 -33.7 -20.4 53 59 A E T >45S+ 0 0 102 -4,-0.5 3,-1.9 -3,-0.2 -1,-0.2 0.935 113.9 48.9 -60.8 -50.1 13.1 -36.6 -22.6 54 60 A E T 345S+ 0 0 130 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.776 106.5 58.8 -63.1 -26.0 15.5 -39.2 -21.1 55 61 A N T 3<5S- 0 0 94 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.493 120.8-109.2 -82.1 -2.5 14.5 -38.1 -17.6 56 62 A G T < 5 + 0 0 16 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.588 63.7 151.3 89.2 11.0 10.9 -38.9 -18.4 57 63 A Y < + 0 0 28 -5,-2.0 -1,-0.3 1,-0.1 -53,-0.2 -0.613 19.3 176.2 -80.0 133.2 9.3 -35.4 -18.7 58 64 A Q S S+ 0 0 94 -55,-3.3 2,-0.3 1,-0.3 -54,-0.2 0.529 73.6 24.8-108.2 -16.1 6.3 -35.2 -21.0 59 65 A V E -b 4 0A 0 -56,-1.2 -54,-1.7 21,-0.2 2,-0.5 -0.987 64.8-158.2-149.6 142.0 5.6 -31.6 -20.2 60 66 A I E -bc 5 82A 0 21,-2.4 23,-3.2 -2,-0.3 2,-0.6 -0.984 3.1-161.6-126.7 122.2 7.7 -28.7 -19.0 61 67 A I E -bc 6 83A 0 -56,-3.0 -54,-3.1 -2,-0.5 2,-0.5 -0.908 15.0-176.3-102.8 119.7 6.2 -25.6 -17.2 62 68 A A E -bc 7 84A 0 21,-3.0 23,-2.6 -2,-0.6 2,-0.4 -0.973 4.4-169.4-122.8 128.0 8.6 -22.7 -17.2 63 69 A G E +bc 8 85A 0 -56,-2.5 -54,-1.9 -2,-0.5 2,-0.3 -0.913 15.0 151.1-118.5 143.7 8.0 -19.4 -15.5 64 70 A A E - c 0 86A 6 21,-1.8 23,-2.3 -2,-0.4 2,-0.3 -0.983 27.7-135.8-162.9 155.4 9.9 -16.1 -15.7 65 71 A G + 0 0 34 -2,-0.3 2,-0.2 21,-0.2 23,-0.1 -0.802 66.9 4.8-117.0 160.3 9.5 -12.3 -15.5 66 72 A G S S+ 0 0 14 21,-0.5 2,-2.0 -2,-0.3 34,-0.3 -0.505 131.9 8.0 72.8-138.9 10.7 -9.4 -17.5 67 73 A A S S- 0 0 63 -2,-0.2 2,-0.6 32,-0.1 -2,-0.1 -0.589 88.4-160.7 -76.2 85.4 12.6 -10.4 -20.7 68 74 A A + 0 0 4 -2,-2.0 4,-0.2 28,-0.3 -2,-0.1 -0.611 31.5 154.6 -77.4 114.2 11.8 -14.1 -20.2 69 75 A H > + 0 0 92 -2,-0.6 4,-2.7 2,-0.1 5,-0.3 0.603 53.7 84.7-110.6 -20.6 14.2 -16.3 -22.2 70 76 A L H > S+ 0 0 5 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.926 90.2 45.1 -50.0 -59.1 13.8 -19.4 -20.1 71 77 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.933 117.3 44.6 -53.4 -51.5 10.7 -20.9 -21.7 72 78 A G H > S+ 0 0 11 -4,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.874 111.5 51.6 -62.8 -40.7 11.9 -20.3 -25.2 73 79 A M H X S+ 0 0 74 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.891 111.2 48.1 -66.5 -37.5 15.4 -21.5 -24.7 74 80 A I H >< S+ 0 0 0 -4,-2.2 3,-1.6 -5,-0.3 4,-0.3 0.946 110.7 51.3 -65.3 -46.8 14.2 -24.8 -23.2 75 81 A A H >< S+ 0 0 14 -4,-2.4 3,-0.6 1,-0.3 -1,-0.2 0.783 104.9 57.8 -61.0 -27.5 11.8 -25.2 -26.1 76 82 A A H 3< S+ 0 0 58 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.650 110.1 44.4 -77.4 -14.5 14.6 -24.7 -28.6 77 83 A K T << S+ 0 0 68 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 0.260 115.6 33.6-114.6 11.3 16.6 -27.6 -27.0 78 84 A T < - 0 0 23 -3,-0.6 4,-0.1 -4,-0.3 -28,-0.1 -0.991 59.4-135.7-160.3 160.0 13.9 -30.3 -26.6 79 85 A L S S+ 0 0 151 -2,-0.3 3,-0.1 2,-0.1 -4,-0.1 0.532 71.2 114.3 -95.3 -9.5 10.8 -31.8 -28.2 80 86 A V S S- 0 0 9 -31,-0.2 -21,-0.2 1,-0.1 -2,-0.1 -0.430 83.7-100.9 -61.7 130.0 9.1 -32.0 -24.8 81 87 A P - 0 0 66 0, 0.0 -21,-2.4 0, 0.0 2,-0.5 -0.279 38.8-150.9 -55.2 134.2 6.1 -29.6 -24.9 82 88 A V E -c 60 0A 8 27,-0.3 29,-2.1 -23,-0.2 2,-0.5 -0.948 10.4-167.3-115.1 127.6 6.9 -26.4 -23.1 83 89 A L E -cd 61 111A 11 -23,-3.2 -21,-3.0 -2,-0.5 2,-0.4 -0.938 14.5-148.8-110.0 131.3 4.3 -24.3 -21.3 84 90 A G E -cd 62 112A 0 27,-2.2 29,-2.4 -2,-0.5 -21,-0.2 -0.851 8.2-159.4-109.5 140.7 5.3 -20.8 -20.3 85 91 A V E -c 63 0A 0 -23,-2.6 -21,-1.8 -2,-0.4 2,-0.7 -0.950 15.3-141.1-116.1 116.9 4.1 -18.7 -17.3 86 92 A P E -c 64 0A 0 0, 0.0 30,-3.4 0, 0.0 2,-0.3 -0.672 18.3-146.0 -78.7 114.3 4.5 -14.9 -17.5 87 93 A V - 0 0 11 -23,-2.3 2,-0.6 -2,-0.7 -21,-0.5 -0.597 27.5-104.4 -78.1 139.5 5.5 -13.8 -13.9 88 94 A Q - 0 0 124 -2,-0.3 2,-0.2 -23,-0.1 5,-0.1 -0.534 39.3-152.3 -70.0 115.1 4.1 -10.3 -13.1 89 95 A S > - 0 0 19 -2,-0.6 4,-0.8 1,-0.1 6,-0.1 -0.514 15.8-121.9 -84.8 155.5 7.0 -7.9 -13.3 90 96 A A T >4 S+ 0 0 102 -2,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.989 102.5 32.0 -60.8 -67.8 7.1 -4.7 -11.2 91 97 A A T 34 S+ 0 0 94 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.942 132.8 27.9 -58.7 -55.4 7.4 -2.0 -13.9 92 98 A L T >4 S- 0 0 96 2,-0.0 3,-2.8 1,-0.0 -1,-0.2 0.216 96.7-128.5 -97.9 16.4 5.5 -3.5 -16.8 93 99 A S T << S- 0 0 62 -4,-0.8 -3,-0.1 -3,-0.6 -5,-0.1 0.780 73.2 -51.0 42.1 40.5 3.1 -5.7 -14.7 94 100 A G T 3> S+ 0 0 0 -7,-0.1 4,-3.4 21,-0.0 -1,-0.3 0.359 111.0 114.6 86.1 -7.2 4.0 -8.8 -16.8 95 101 A V H <> S+ 0 0 65 -3,-2.8 4,-2.5 2,-0.2 5,-0.2 0.910 82.9 45.4 -63.7 -39.3 3.4 -7.3 -20.2 96 102 A D H > S+ 0 0 42 -4,-0.2 4,-2.5 2,-0.2 -28,-0.3 0.912 113.4 50.2 -68.8 -39.2 7.1 -7.7 -21.0 97 103 A S H > S+ 0 0 0 -10,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.959 111.8 49.0 -59.8 -50.9 7.0 -11.2 -19.6 98 104 A L H >X S+ 0 0 52 -4,-3.4 4,-2.8 1,-0.2 3,-0.7 0.935 114.4 42.7 -53.8 -55.4 4.0 -12.0 -21.7 99 105 A Y H 3X S+ 0 0 145 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.896 111.3 54.2 -61.5 -43.0 5.4 -10.7 -25.0 100 106 A S H 3< S+ 0 0 42 -4,-2.5 -1,-0.2 -34,-0.3 -2,-0.2 0.675 118.0 37.4 -68.4 -15.0 8.9 -12.2 -24.4 101 107 A I H << S+ 0 0 2 -4,-1.0 3,-0.3 -3,-0.7 -2,-0.2 0.862 120.6 38.3-100.8 -49.8 7.3 -15.7 -23.9 102 108 A V H < S+ 0 0 58 -4,-2.8 2,-1.9 -5,-0.2 8,-0.2 0.826 96.8 76.6 -74.9 -34.2 4.4 -15.8 -26.4 103 109 A Q < + 0 0 149 -4,-1.7 -1,-0.2 -5,-0.3 -4,-0.1 -0.135 63.9 153.7 -76.1 46.1 5.8 -14.1 -29.4 104 110 A M - 0 0 51 -2,-1.9 3,-0.1 -3,-0.3 6,-0.1 -0.478 43.5-117.4 -73.8 142.9 8.0 -17.0 -30.5 105 111 A P > - 0 0 91 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.285 47.2 -68.2 -76.5 166.9 8.8 -17.2 -34.2 106 112 A R T 3 S+ 0 0 252 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.293 117.2 36.7 -57.0 128.8 7.8 -20.1 -36.5 107 113 A G T 3 S+ 0 0 75 -3,-0.1 -1,-0.2 -2,-0.0 -3,-0.0 -0.032 105.9 60.2 122.0 -34.0 9.5 -23.4 -35.6 108 114 A I < - 0 0 30 -3,-1.4 2,-0.1 2,-0.0 -32,-0.1 -0.849 69.7-163.9-133.3 99.4 9.7 -23.3 -31.8 109 115 A P - 0 0 107 0, 0.0 2,-0.3 0, 0.0 -27,-0.3 -0.395 15.3-174.6 -85.2 157.1 6.5 -23.1 -29.8 110 116 A V - 0 0 14 -8,-0.2 2,-0.8 -2,-0.1 -27,-0.2 -0.888 24.0-137.8-147.3 110.7 5.7 -22.2 -26.2 111 117 A G E -d 83 0A 36 -29,-2.1 -27,-2.2 -2,-0.3 2,-0.3 -0.644 30.2-151.6 -73.5 111.7 2.1 -22.6 -25.0 112 118 A T E -d 84 0A 36 -2,-0.8 2,-0.2 -29,-0.2 -27,-0.2 -0.657 11.7-162.5 -94.4 141.5 1.6 -19.5 -22.9 113 119 A L - 0 0 28 -29,-2.4 6,-0.2 -2,-0.3 3,-0.1 -0.557 38.4 -63.5-110.1 176.8 -0.7 -19.0 -20.0 114 120 A A - 0 0 51 -2,-0.2 -1,-0.2 4,-0.1 2,-0.2 -0.079 62.2 -89.2 -58.7 158.4 -2.1 -15.9 -18.2 115 121 A I S S- 0 0 55 -30,-0.1 3,-0.4 4,-0.1 4,-0.3 -0.478 87.5 -9.5 -68.7 136.4 0.2 -13.5 -16.4 116 122 A G S >> S- 0 0 6 -30,-3.4 4,-2.0 1,-0.2 3,-0.5 -0.305 117.0 -14.1 84.3-161.1 0.7 -14.4 -12.8 117 123 A K H 3> S+ 0 0 98 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.815 128.9 56.1 -52.7 -42.8 -0.7 -16.9 -10.3 118 124 A A H 3> S+ 0 0 61 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.900 109.7 47.3 -60.9 -39.9 -3.7 -17.7 -12.4 119 125 A G H <> S+ 0 0 0 -3,-0.5 4,-2.6 -4,-0.3 -2,-0.2 0.889 108.0 54.9 -68.4 -40.4 -1.4 -18.7 -15.3 120 126 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.953 112.3 43.5 -57.3 -50.1 0.8 -20.8 -13.0 121 127 A A H X S+ 0 0 19 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.930 113.9 50.9 -61.2 -46.0 -2.2 -22.8 -11.9 122 128 A N H X S+ 0 0 76 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.835 103.5 58.1 -63.1 -33.6 -3.5 -23.1 -15.4 123 129 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.876 108.8 46.5 -63.9 -35.7 -0.2 -24.3 -16.8 124 130 A A H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.4 -2,-0.2 0.911 113.0 49.2 -71.5 -42.1 -0.4 -27.2 -14.3 125 131 A L H X S+ 0 0 18 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.907 113.0 46.9 -63.3 -42.5 -4.0 -27.9 -15.3 126 132 A L H X S+ 0 0 63 -4,-3.1 4,-2.0 2,-0.2 -2,-0.2 0.929 112.9 48.7 -65.6 -44.6 -3.2 -27.8 -19.0 127 133 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.895 111.9 50.8 -61.1 -39.2 -0.2 -30.0 -18.4 128 134 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.899 107.8 51.7 -65.5 -41.2 -2.4 -32.3 -16.4 129 135 A Q H X S+ 0 0 73 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.863 108.9 52.1 -64.4 -33.6 -5.0 -32.4 -19.2 130 136 A I H >< S+ 0 0 67 -4,-2.0 3,-0.7 1,-0.2 4,-0.3 0.934 112.7 43.9 -66.5 -45.2 -2.2 -33.3 -21.6 131 137 A L H >< S+ 0 0 15 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.875 105.0 63.9 -66.3 -37.5 -1.1 -36.2 -19.3 132 138 A A H >< S+ 0 0 3 -4,-2.9 3,-1.1 1,-0.3 7,-0.3 0.746 82.3 78.5 -59.6 -25.3 -4.8 -37.3 -18.8 133 139 A T T << S+ 0 0 91 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.792 114.1 20.5 -54.1 -27.4 -5.0 -38.1 -22.5 134 140 A H T < S+ 0 0 161 -3,-2.0 2,-0.4 -4,-0.3 -1,-0.3 0.148 115.7 74.3-127.9 16.0 -3.2 -41.3 -21.6 135 141 A D <> - 0 0 60 -3,-1.1 4,-2.9 -4,-0.2 5,-0.2 -0.804 53.8-174.2-134.3 92.0 -3.9 -41.5 -17.9 136 142 A K H > S+ 0 0 151 -2,-0.4 4,-2.0 1,-0.2 -1,-0.1 0.868 85.9 52.3 -52.4 -42.9 -7.5 -42.6 -17.2 137 143 A E H > S+ 0 0 142 2,-0.2 4,-2.4 1,-0.2 3,-0.3 0.969 112.6 42.5 -60.7 -54.8 -7.0 -42.1 -13.4 138 144 A L H > S+ 0 0 3 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.902 111.3 57.0 -58.5 -41.2 -5.7 -38.5 -13.7 139 145 A H H X S+ 0 0 96 -4,-2.9 4,-2.0 -7,-0.3 -1,-0.2 0.891 108.7 47.9 -56.6 -39.5 -8.3 -37.8 -16.3 140 146 A Q H X S+ 0 0 96 -4,-2.0 4,-2.4 -3,-0.3 -2,-0.2 0.926 110.6 48.9 -67.6 -46.8 -10.9 -38.8 -13.7 141 147 A R H X S+ 0 0 70 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.886 110.6 52.3 -61.7 -37.7 -9.4 -36.7 -11.0 142 148 A L H X S+ 0 0 12 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.931 108.9 50.2 -61.7 -45.9 -9.3 -33.8 -13.4 143 149 A N H X S+ 0 0 73 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.893 110.6 48.8 -59.4 -43.9 -13.0 -34.3 -14.1 144 150 A D H X S+ 0 0 75 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.903 110.3 52.0 -64.2 -41.6 -13.9 -34.4 -10.4 145 151 A W H X S+ 0 0 59 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.943 110.1 47.5 -60.9 -48.7 -11.9 -31.2 -9.8 146 152 A R H X S+ 0 0 145 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.903 110.6 52.8 -59.7 -40.7 -13.7 -29.4 -12.6 147 153 A K H X S+ 0 0 87 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.926 108.8 50.0 -59.5 -45.9 -17.1 -30.6 -11.3 148 154 A A H X S+ 0 0 52 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.877 110.4 49.3 -61.2 -40.0 -16.2 -29.3 -7.8 149 155 A Q H X S+ 0 0 72 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.953 114.6 45.0 -65.3 -47.5 -15.2 -25.9 -9.2 150 156 A T H >X S+ 0 0 79 -4,-2.6 4,-2.7 1,-0.2 3,-0.5 0.949 112.5 50.0 -60.6 -52.4 -18.5 -25.7 -11.2 151 157 A D H 3X S+ 0 0 81 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.831 103.8 60.1 -58.4 -33.3 -20.7 -26.9 -8.4 152 158 A E H 3< S+ 0 0 119 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.916 110.9 40.8 -62.3 -40.6 -19.2 -24.4 -5.9 153 159 A V H X< S+ 0 0 104 -4,-1.4 3,-1.4 -3,-0.5 -2,-0.2 0.924 113.7 54.4 -71.5 -43.7 -20.3 -21.6 -8.2 154 160 A L H 3< S+ 0 0 116 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.856 108.5 47.2 -59.3 -38.6 -23.7 -23.2 -8.8 155 161 A E T 3< S+ 0 0 144 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.440 113.5 51.1 -85.7 4.6 -24.5 -23.6 -5.1 156 162 A N < + 0 0 103 -3,-1.4 -1,-0.2 -4,-0.2 -2,-0.1 -0.416 62.7 146.4-136.5 59.3 -23.6 -20.0 -4.5 157 163 A P + 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.760 59.6 67.0 -65.9 -31.6 -25.5 -18.0 -7.1 158 164 A D - 0 0 79 1,-0.1 4,-0.0 -3,-0.1 -3,-0.0 -0.855 57.7-174.1-100.8 114.3 -26.1 -14.9 -4.9 159 165 A P + 0 0 128 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.611 54.2 104.8 -79.8 -12.6 -22.9 -13.0 -4.0 160 166 A R S S- 0 0 191 1,-0.1 2,-0.1 0, 0.0 -2,-0.1 -0.215 87.3 -84.2 -66.8 159.3 -24.7 -10.6 -1.7 161 167 A G 0 0 76 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.415 360.0 360.0 -66.3 138.2 -24.4 -11.0 2.1 162 168 A A 0 0 156 -2,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.147 360.0 360.0 -49.8 360.0 -26.8 -13.5 3.6