==== 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 2NSH . COMPND 2 MOLECULE: PHOSPHORIBOSYLAMINOIMIDAZOLE CARBOXYLASE CATALYTI . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.E.EALICK,M.MORAR . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9387.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 13.5 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 . 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 39.3 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 0 2 0 1 0 0 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 2 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 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 0 148 0, 0.0 2,-0.5 0, 0.0 55,-0.0 0.000 360.0 360.0 360.0 156.0 7.7 -41.2 -11.9 2 8 A A + 0 0 30 1,-0.1 29,-0.2 53,-0.1 3,-0.0 -0.580 360.0 178.6 -73.2 121.7 7.5 -37.4 -12.5 3 9 A R + 0 0 42 27,-0.9 55,-3.1 -2,-0.5 56,-1.3 0.428 66.4 56.3-103.5 -1.2 6.2 -36.7 -16.0 4 10 A V E -ab 31 59A 0 26,-0.6 28,-2.0 53,-0.2 2,-0.4 -0.989 62.9-161.0-134.8 139.5 6.2 -32.9 -15.5 5 11 A A E -ab 32 60A 0 54,-1.6 56,-3.1 -2,-0.3 2,-0.6 -0.962 5.6-157.4-113.1 137.5 8.9 -30.5 -14.5 6 12 A I E +ab 33 61A 0 26,-3.0 28,-2.3 -2,-0.4 2,-0.3 -0.973 23.0 173.6-111.8 116.8 8.2 -27.0 -13.2 7 13 A V E -ab 34 62A 0 54,-3.3 56,-2.4 -2,-0.6 2,-0.3 -0.866 8.9-174.8-124.0 161.4 11.2 -24.7 -13.7 8 14 A M E -ab 35 63A 2 26,-1.2 28,-2.4 -2,-0.3 56,-0.2 -0.987 33.7-121.1-156.9 154.0 11.6 -21.0 -13.1 9 15 A G S S+ 0 0 12 54,-1.6 2,-0.3 -2,-0.3 31,-0.2 0.758 91.5 13.7 -71.9 -24.8 14.2 -18.3 -13.7 10 16 A S > - 0 0 18 53,-0.2 3,-1.1 1,-0.1 4,-0.3 -0.978 69.3-115.4-150.9 153.6 14.5 -17.3 -10.0 11 17 A K G > S+ 0 0 173 -2,-0.3 3,-1.9 1,-0.2 4,-0.4 0.866 115.4 63.7 -56.4 -37.1 13.7 -18.3 -6.5 12 18 A S G > S+ 0 0 92 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.761 90.9 65.6 -61.2 -23.8 11.5 -15.1 -6.4 13 19 A D G X> S+ 0 0 12 -3,-1.1 4,-2.6 1,-0.2 3,-1.4 0.668 80.3 81.8 -70.3 -18.4 9.3 -16.7 -9.1 14 20 A W H <> S+ 0 0 89 -3,-1.9 4,-2.6 -4,-0.3 -1,-0.2 0.840 77.1 68.3 -59.4 -33.5 8.3 -19.4 -6.6 15 21 A A H <4 S+ 0 0 63 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.871 114.7 29.7 -51.0 -36.1 5.7 -17.0 -5.1 16 22 A T H X4 S+ 0 0 23 -3,-1.4 3,-1.4 -4,-0.3 -2,-0.2 0.877 119.1 51.7 -86.7 -48.6 3.9 -17.4 -8.5 17 23 A M H >X S+ 0 0 0 -4,-2.6 3,-1.8 1,-0.3 4,-1.5 0.709 89.4 79.0 -72.5 -21.6 4.9 -20.9 -9.6 18 24 A Q H 3X S+ 0 0 83 -4,-2.6 4,-2.3 1,-0.3 -1,-0.3 0.807 84.9 65.4 -48.3 -32.2 3.8 -22.5 -6.3 19 25 A F H <> S+ 0 0 52 -3,-1.4 4,-1.0 2,-0.2 -1,-0.3 0.762 99.4 49.9 -67.4 -22.7 0.3 -22.2 -7.7 20 26 A A H <> S+ 0 0 0 -3,-1.8 4,-1.7 -4,-0.2 3,-0.3 0.931 110.1 50.3 -74.4 -47.1 1.3 -24.8 -10.4 21 27 A A H X S+ 0 0 2 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.872 105.3 58.4 -54.4 -41.7 2.7 -27.1 -7.8 22 28 A E H X S+ 0 0 93 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.884 103.1 52.0 -58.7 -42.8 -0.6 -26.8 -5.8 23 29 A I H X S+ 0 0 7 -4,-1.0 4,-2.5 -3,-0.3 -1,-0.2 0.927 110.1 48.8 -59.4 -44.8 -2.6 -28.1 -8.7 24 30 A F H X>S+ 0 0 1 -4,-1.7 5,-2.6 2,-0.2 4,-0.5 0.857 108.8 52.5 -67.5 -33.3 -0.4 -31.1 -9.0 25 31 A E H ><5S+ 0 0 135 -4,-2.1 3,-0.9 3,-0.2 -1,-0.2 0.948 111.0 48.6 -64.2 -45.8 -0.6 -31.8 -5.2 26 32 A I H 3<5S+ 0 0 93 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.912 117.8 39.7 -58.2 -45.1 -4.4 -31.7 -5.6 27 33 A L H 3<5S- 0 0 2 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.348 109.1-122.1 -88.3 2.4 -4.4 -34.0 -8.6 28 34 A N T <<5 + 0 0 125 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.907 55.5 156.5 56.1 48.4 -1.7 -36.3 -7.1 29 35 A V < - 0 0 4 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.928 42.6-127.1-107.8 116.0 0.6 -35.8 -10.1 30 36 A P + 0 0 60 0, 0.0 -27,-0.9 0, 0.0 -26,-0.6 -0.376 39.6 172.5 -60.9 138.6 4.3 -36.4 -9.4 31 37 A H E -a 4 0A 56 -29,-0.2 2,-0.4 -28,-0.1 -26,-0.2 -0.981 30.2-132.9-149.4 157.9 6.4 -33.4 -10.4 32 38 A H E -a 5 0A 62 -28,-2.0 -26,-3.0 -2,-0.3 2,-0.4 -0.875 18.8-160.0-111.3 143.5 9.9 -32.0 -10.3 33 39 A V E +a 6 0A 59 -2,-0.4 2,-0.3 -28,-0.2 -26,-0.2 -0.995 19.4 157.7-128.7 133.1 10.6 -28.4 -9.3 34 40 A E E -a 7 0A 53 -28,-2.3 -26,-1.2 -2,-0.4 2,-0.6 -0.996 41.0-124.8-156.3 142.6 13.8 -26.5 -10.1 35 41 A V E +a 8 0A 68 -2,-0.3 2,-0.4 -28,-0.2 -26,-0.2 -0.818 38.9 166.2 -86.4 121.1 15.3 -23.1 -10.5 36 42 A V - 0 0 0 -28,-2.4 2,-0.5 -2,-0.6 3,-0.1 -0.989 17.3-160.5-137.8 120.8 16.9 -22.9 -13.9 37 43 A S > - 0 0 8 -2,-0.4 4,-1.4 1,-0.1 8,-0.4 -0.929 16.3-159.8-110.9 131.1 18.0 -19.6 -15.4 38 44 A A T 4 S+ 0 0 17 -2,-0.5 -1,-0.1 1,-0.2 8,-0.1 0.866 100.3 36.7 -68.4 -34.2 18.6 -19.0 -19.1 39 45 A Q T 4 S+ 0 0 108 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.863 127.2 30.9 -87.8 -38.6 20.6 -16.0 -18.1 40 46 A R T 4 S+ 0 0 186 1,-0.2 -2,-0.1 -31,-0.2 -1,-0.1 0.704 133.5 26.8-100.2 -24.2 22.4 -16.9 -14.9 41 47 A T X + 0 0 53 -4,-1.4 4,-2.1 1,-0.1 -1,-0.2 -0.452 68.9 154.6-132.3 64.4 22.8 -20.7 -15.5 42 48 A P H > S+ 0 0 63 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.869 74.3 50.9 -63.6 -34.8 22.9 -21.1 -19.3 43 49 A D H > S+ 0 0 135 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.903 110.1 49.7 -72.8 -37.2 24.9 -24.3 -19.4 44 50 A K H > S+ 0 0 86 2,-0.2 4,-3.4 1,-0.2 -1,-0.2 0.897 108.0 54.9 -63.3 -42.0 22.5 -26.0 -16.8 45 51 A L H X S+ 0 0 2 -4,-2.1 4,-2.8 -8,-0.4 5,-0.3 0.949 108.7 48.3 -53.8 -51.8 19.5 -24.9 -18.9 46 52 A F H X S+ 0 0 84 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.926 114.6 44.1 -58.0 -45.4 21.1 -26.6 -22.0 47 53 A S H X S+ 0 0 67 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.909 113.0 52.4 -70.7 -37.2 21.8 -29.8 -20.0 48 54 A F H X S+ 0 0 13 -4,-3.4 4,-0.5 2,-0.2 -2,-0.2 0.923 114.5 41.3 -55.6 -51.4 18.3 -29.7 -18.4 49 55 A A H >< S+ 0 0 0 -4,-2.8 3,-1.1 -5,-0.2 4,-0.5 0.933 113.0 54.3 -68.7 -43.2 16.5 -29.4 -21.8 50 56 A E H 3< S+ 0 0 122 -4,-2.8 4,-0.3 -5,-0.3 3,-0.2 0.837 115.5 38.8 -56.6 -34.7 18.8 -31.9 -23.5 51 57 A S H 3X S+ 0 0 28 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.424 86.7 97.4 -96.3 -0.4 18.1 -34.6 -20.9 52 58 A A T <<>S+ 0 0 0 -3,-1.1 5,-2.1 -4,-0.5 4,-0.4 0.902 85.0 48.0 -61.4 -41.7 14.4 -33.9 -20.3 53 59 A E T >45S+ 0 0 124 -4,-0.5 3,-1.2 1,-0.2 -1,-0.2 0.932 114.4 46.0 -60.7 -48.9 13.2 -36.7 -22.7 54 60 A E T 345S+ 0 0 164 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.2 0.754 107.4 58.9 -69.9 -23.2 15.6 -39.2 -21.2 55 61 A N T 3<5S- 0 0 87 -4,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.513 119.9-108.2 -85.0 -4.0 14.5 -38.1 -17.7 56 62 A G T < 5 + 0 0 36 -3,-1.2 -3,-0.2 -4,-0.4 2,-0.2 0.500 64.3 151.4 97.1 7.6 10.9 -39.0 -18.5 57 63 A Y < + 0 0 27 -5,-2.1 -1,-0.3 1,-0.1 -53,-0.2 -0.491 19.9 175.7 -74.4 138.5 9.3 -35.5 -18.7 58 64 A Q S S+ 0 0 109 -55,-3.1 2,-0.3 1,-0.4 -54,-0.2 0.511 74.0 25.4-115.2 -17.7 6.3 -35.3 -21.0 59 65 A V E -b 4 0A 0 -56,-1.3 -54,-1.6 21,-0.1 2,-0.4 -0.986 64.0-160.8-144.1 141.6 5.6 -31.6 -20.2 60 66 A I E -bc 5 82A 0 21,-2.1 23,-2.8 -2,-0.3 2,-0.5 -0.992 4.3-161.2-119.1 130.1 7.7 -28.8 -19.0 61 67 A I E -bc 6 83A 0 -56,-3.1 -54,-3.3 -2,-0.4 2,-0.5 -0.960 13.4-172.7-108.0 123.5 6.2 -25.7 -17.3 62 68 A A E -bc 7 84A 0 21,-3.0 23,-2.7 -2,-0.5 2,-0.4 -0.974 4.3-169.4-122.8 127.2 8.6 -22.7 -17.3 63 69 A G E +bc 8 85A 0 -56,-2.4 -54,-1.6 -2,-0.5 2,-0.3 -0.895 16.3 150.5-117.1 142.7 8.0 -19.5 -15.5 64 70 A A E - c 0 86A 6 21,-1.9 23,-2.6 -2,-0.4 2,-0.3 -0.962 26.7-140.2-163.4 160.6 10.0 -16.2 -15.8 65 71 A G E + c 0 87A 34 -2,-0.3 4,-0.2 21,-0.2 2,-0.2 -0.775 64.6 7.8-125.2 158.2 9.6 -12.5 -15.6 66 72 A G S S+ 0 0 16 21,-0.5 2,-1.7 -2,-0.3 34,-0.2 -0.476 133.1 8.7 75.3-144.7 10.9 -9.5 -17.5 67 73 A A S S- 0 0 61 -2,-0.2 2,-1.3 1,-0.1 -2,-0.2 -0.599 90.2-160.4 -64.9 89.8 12.8 -10.5 -20.6 68 74 A A + 0 0 1 -2,-1.7 4,-0.4 28,-0.4 -2,-0.1 -0.643 31.9 152.6 -88.9 87.9 11.7 -14.0 -20.1 69 75 A H > + 0 0 97 -2,-1.3 4,-2.3 -4,-0.2 5,-0.2 0.677 49.0 86.5 -89.3 -22.4 14.0 -16.2 -22.2 70 76 A L H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.870 88.2 44.9 -48.0 -56.0 13.8 -19.4 -20.2 71 77 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.931 116.1 46.1 -61.8 -45.1 10.7 -21.1 -21.8 72 78 A G H > S+ 0 0 11 -4,-0.4 4,-1.6 1,-0.2 -2,-0.2 0.862 112.5 50.5 -67.1 -38.0 11.7 -20.4 -25.4 73 79 A M H X S+ 0 0 76 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.859 110.1 49.6 -69.7 -35.2 15.3 -21.6 -24.8 74 80 A I H >X S+ 0 0 0 -4,-2.1 3,-1.6 -5,-0.2 4,-0.7 0.967 111.1 50.4 -59.5 -51.8 14.1 -24.8 -23.2 75 81 A A H 3< S+ 0 0 15 -4,-2.4 3,-0.5 1,-0.3 -2,-0.2 0.804 103.9 59.2 -58.7 -30.9 11.8 -25.3 -26.2 76 82 A A H 3< S+ 0 0 61 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.761 112.1 40.2 -68.8 -21.9 14.7 -24.7 -28.6 77 83 A K H << S+ 0 0 69 -3,-1.6 2,-0.3 -4,-0.6 -1,-0.2 0.437 115.6 41.6-112.4 -1.5 16.6 -27.6 -27.1 78 84 A T < - 0 0 21 -4,-0.7 -28,-0.1 -3,-0.5 -1,-0.1 -0.996 56.9-143.0-144.4 153.0 13.9 -30.3 -26.6 79 85 A L S S+ 0 0 156 -2,-0.3 -1,-0.1 -30,-0.1 -4,-0.1 0.540 71.4 112.2 -87.7 -6.3 10.9 -31.8 -28.3 80 86 A V S S- 0 0 8 -31,-0.2 -21,-0.1 -6,-0.1 -2,-0.1 -0.505 84.5-102.0 -64.3 129.8 9.1 -32.1 -24.9 81 87 A P - 0 0 64 0, 0.0 -21,-2.1 0, 0.0 2,-0.4 -0.280 37.7-150.3 -56.3 138.2 6.2 -29.6 -25.0 82 88 A V E -c 60 0A 7 27,-0.3 29,-2.0 -23,-0.2 2,-0.4 -0.968 9.9-165.3-117.5 127.1 6.9 -26.4 -23.1 83 89 A L E -cd 61 111A 9 -23,-2.8 -21,-3.0 -2,-0.4 2,-0.4 -0.947 16.2-147.8-106.4 137.0 4.2 -24.3 -21.4 84 90 A G E -cd 62 112A 0 27,-2.3 29,-2.5 -2,-0.4 -21,-0.2 -0.874 9.3-162.2-112.4 133.7 5.3 -20.7 -20.4 85 91 A V E -c 63 0A 0 -23,-2.7 -21,-1.9 -2,-0.4 2,-0.6 -0.947 15.2-142.7-114.3 115.8 4.1 -18.7 -17.4 86 92 A P E -c 64 0A 0 0, 0.0 30,-3.0 0, 0.0 2,-0.3 -0.659 17.9-143.6 -77.8 120.7 4.7 -15.0 -17.6 87 93 A V E -c 65 0A 11 -23,-2.6 -21,-0.5 -2,-0.6 2,-0.3 -0.659 26.5-102.7 -82.3 139.8 5.6 -13.8 -14.1 88 94 A Q - 0 0 125 -2,-0.3 2,-0.2 -23,-0.1 -1,-0.1 -0.438 40.0-154.4 -65.4 122.0 4.3 -10.3 -13.1 89 95 A S > - 0 0 22 -2,-0.3 4,-0.8 1,-0.1 6,-0.1 -0.599 18.4-117.9 -94.6 160.4 7.2 -7.9 -13.3 90 96 A A T 4 S+ 0 0 103 -2,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.989 102.8 26.9 -66.9 -63.5 7.3 -4.6 -11.3 91 97 A A T 4 S+ 0 0 94 1,-0.2 -1,-0.1 2,-0.1 0, 0.0 0.943 132.2 32.1 -70.1 -47.4 7.4 -1.9 -13.9 92 98 A L T >4 S- 0 0 102 1,-0.0 3,-2.2 2,-0.0 -1,-0.2 0.357 97.1-128.7-100.2 6.2 5.6 -3.5 -16.9 93 99 A S T 3< S- 0 0 63 -4,-0.8 -3,-0.1 1,-0.3 -5,-0.1 0.789 72.0 -52.1 56.1 39.2 3.2 -5.7 -14.8 94 100 A G T 3> S+ 0 0 0 -7,-0.1 4,-2.7 21,-0.0 -1,-0.3 0.427 111.2 115.1 76.9 -0.7 4.1 -8.9 -16.8 95 101 A V H <> S+ 0 0 63 -3,-2.2 4,-2.6 2,-0.2 5,-0.2 0.909 82.0 47.6 -63.2 -42.4 3.5 -7.4 -20.3 96 102 A D H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -28,-0.4 0.909 112.6 48.8 -59.3 -44.0 7.2 -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 0.919 112.1 49.0 -62.6 -44.1 7.1 -11.3 -19.7 98 104 A L H >X S+ 0 0 49 -4,-2.7 4,-2.8 1,-0.2 3,-0.8 0.948 113.8 44.5 -64.2 -48.8 4.0 -12.1 -21.8 99 105 A Y H 3X S+ 0 0 151 -4,-2.6 4,-1.3 1,-0.3 -1,-0.2 0.845 111.8 52.9 -66.5 -35.5 5.5 -10.7 -25.1 100 106 A S H 3< S+ 0 0 41 -4,-2.2 -1,-0.3 -34,-0.2 -2,-0.2 0.670 118.7 35.8 -74.0 -15.4 8.9 -12.3 -24.5 101 107 A I H << S+ 0 0 2 -4,-1.0 3,-0.4 -3,-0.8 -2,-0.2 0.852 120.8 40.8-100.1 -47.5 7.2 -15.8 -24.0 102 108 A V H < S+ 0 0 60 -4,-2.8 2,-0.9 1,-0.2 8,-0.2 0.778 97.9 72.3 -77.5 -29.9 4.3 -15.8 -26.4 103 109 A Q < + 0 0 149 -4,-1.3 -1,-0.2 -5,-0.3 -4,-0.1 -0.114 63.4 153.4 -87.3 42.6 5.8 -14.1 -29.5 104 110 A M - 0 0 59 -2,-0.9 3,-0.1 -3,-0.4 6,-0.1 -0.451 44.0-119.8 -67.4 139.0 8.0 -17.1 -30.5 105 111 A P > - 0 0 95 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 -0.306 48.1 -64.6 -74.5 168.1 8.7 -17.2 -34.3 106 112 A R T 3 S+ 0 0 247 1,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.235 116.9 35.6 -55.6 127.3 7.7 -20.1 -36.5 107 113 A G T 3 S+ 0 0 73 -3,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.063 105.6 58.9 123.4 -24.0 9.5 -23.4 -35.6 108 114 A I S < S- 0 0 35 -3,-1.3 -32,-0.1 2,-0.0 -33,-0.1 -0.707 71.7-164.5-141.4 85.7 9.9 -23.4 -31.8 109 115 A P - 0 0 102 0, 0.0 2,-0.3 0, 0.0 -27,-0.3 -0.293 16.2-173.9 -79.5 153.2 6.6 -23.1 -29.9 110 116 A V - 0 0 15 -8,-0.2 2,-0.7 -6,-0.1 -27,-0.2 -0.922 24.1-137.6-137.5 116.5 5.8 -22.3 -26.3 111 117 A G E -d 83 0A 36 -29,-2.0 -27,-2.3 -2,-0.3 2,-0.3 -0.651 30.2-150.6 -72.9 116.9 2.1 -22.7 -25.2 112 118 A T E -d 84 0A 36 -2,-0.7 -27,-0.2 -29,-0.2 2,-0.2 -0.692 12.9-164.2-101.3 137.0 1.6 -19.5 -23.0 113 119 A L - 0 0 30 -29,-2.5 6,-0.2 -2,-0.3 3,-0.1 -0.521 39.4 -61.0-106.5-176.6 -0.7 -19.0 -20.1 114 120 A A - 0 0 51 -2,-0.2 2,-0.3 1,-0.2 -1,-0.2 -0.044 62.7 -88.9 -65.3 157.7 -2.1 -15.9 -18.3 115 121 A I S S- 0 0 58 -30,-0.1 3,-0.4 4,-0.1 4,-0.2 -0.528 88.3 -10.3 -64.1 129.7 0.2 -13.5 -16.5 116 122 A G S >> S- 0 0 6 -30,-3.0 4,-1.8 -2,-0.3 3,-0.5 -0.369 117.6 -14.0 90.2-156.9 0.8 -14.4 -12.9 117 123 A K H 3> S+ 0 0 117 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.806 128.1 57.3 -66.3 -29.3 -0.6 -17.0 -10.4 118 124 A A H 3> S+ 0 0 57 -3,-0.4 4,-2.3 1,-0.2 -1,-0.3 0.901 109.1 47.1 -63.9 -39.7 -3.7 -17.8 -12.6 119 125 A G H <> S+ 0 0 0 -3,-0.5 4,-2.0 -4,-0.2 -2,-0.2 0.811 108.7 54.7 -68.4 -34.0 -1.4 -18.7 -15.4 120 126 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.951 111.8 43.8 -62.6 -46.6 0.8 -20.9 -13.1 121 127 A A H X S+ 0 0 20 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.930 115.0 50.0 -62.9 -43.8 -2.3 -22.8 -12.0 122 128 A N H X S+ 0 0 76 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.794 104.7 56.8 -66.1 -33.3 -3.6 -23.1 -15.6 123 129 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.910 109.2 46.5 -62.7 -39.6 -0.2 -24.3 -16.9 124 130 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.896 113.2 49.1 -71.1 -36.7 -0.4 -27.2 -14.4 125 131 A L H X S+ 0 0 18 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.932 112.4 47.0 -68.5 -39.6 -4.0 -27.9 -15.4 126 132 A L H X S+ 0 0 63 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.918 112.5 50.8 -67.4 -41.5 -3.2 -27.8 -19.1 127 133 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.922 110.9 48.8 -60.3 -45.0 -0.2 -30.1 -18.4 128 134 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.864 109.4 52.2 -61.2 -40.7 -2.5 -32.5 -16.5 129 135 A Q H X S+ 0 0 77 -4,-2.4 4,-0.8 2,-0.2 -2,-0.2 0.903 110.0 49.6 -60.6 -41.8 -5.0 -32.4 -19.4 130 136 A I H >< S+ 0 0 68 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.966 114.5 43.6 -60.8 -50.0 -2.2 -33.4 -21.7 131 137 A L H >< S+ 0 0 5 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.863 105.4 64.2 -62.5 -34.9 -1.1 -36.2 -19.4 132 138 A A H >< S+ 0 0 2 -4,-2.3 3,-1.1 1,-0.3 7,-0.3 0.684 81.6 78.3 -69.6 -18.3 -4.8 -37.3 -18.9 133 139 A T T << S+ 0 0 92 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.768 112.8 22.9 -56.0 -27.4 -5.1 -38.2 -22.6 134 140 A H T < S+ 0 0 170 -3,-1.7 2,-0.3 -4,-0.3 -1,-0.2 0.035 115.3 72.2-127.8 23.0 -3.2 -41.4 -21.8 135 141 A D <> - 0 0 36 -3,-1.1 4,-2.5 1,-0.1 5,-0.2 -0.802 55.2-172.6-145.4 93.8 -3.9 -41.7 -18.0 136 142 A K H > S+ 0 0 145 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.837 85.9 53.4 -59.2 -38.5 -7.5 -42.7 -17.2 137 143 A E H > S+ 0 0 142 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 110.9 44.6 -64.3 -44.1 -7.1 -42.2 -13.5 138 144 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.885 109.8 56.8 -68.5 -39.0 -5.8 -38.7 -13.9 139 145 A H H X S+ 0 0 103 -4,-2.5 4,-2.1 -7,-0.3 -1,-0.2 0.904 108.1 49.1 -55.6 -42.4 -8.5 -37.9 -16.4 140 146 A Q H X S+ 0 0 103 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.919 109.5 49.0 -64.8 -46.0 -11.0 -38.9 -13.8 141 147 A R H X S+ 0 0 70 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.901 111.7 51.2 -62.9 -38.5 -9.5 -36.7 -11.0 142 148 A L H X S+ 0 0 12 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.896 109.1 49.5 -61.1 -43.7 -9.5 -33.8 -13.5 143 149 A N H X S+ 0 0 89 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.922 112.0 49.0 -62.1 -43.1 -13.1 -34.4 -14.3 144 150 A D H X S+ 0 0 87 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.891 111.1 50.0 -59.7 -41.1 -13.9 -34.5 -10.5 145 151 A W H X S+ 0 0 59 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.921 111.7 47.6 -68.2 -45.9 -11.9 -31.3 -10.0 146 152 A R H X S+ 0 0 142 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.926 111.2 50.3 -57.6 -49.5 -13.7 -29.5 -12.7 147 153 A K H X S+ 0 0 117 -4,-2.6 4,-3.1 1,-0.2 -2,-0.2 0.899 109.3 52.6 -57.6 -41.5 -17.1 -30.6 -11.5 148 154 A A H X S+ 0 0 50 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.894 109.8 48.3 -60.6 -43.2 -16.2 -29.4 -8.0 149 155 A Q H X S+ 0 0 86 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.930 114.5 45.4 -63.7 -45.9 -15.3 -26.0 -9.4 150 156 A T H X S+ 0 0 81 -4,-2.7 4,-2.7 2,-0.2 3,-0.2 0.927 112.0 51.9 -61.5 -46.3 -18.6 -25.8 -11.3 151 157 A D H X S+ 0 0 51 -4,-3.1 4,-3.2 1,-0.2 5,-0.2 0.906 103.6 58.8 -59.7 -40.8 -20.7 -27.0 -8.4 152 158 A E H < S+ 0 0 118 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.906 111.8 39.8 -54.4 -45.2 -19.1 -24.4 -6.1 153 159 A V H >< S+ 0 0 103 -4,-1.4 3,-1.1 -3,-0.2 -1,-0.2 0.919 115.1 53.2 -71.1 -42.6 -20.4 -21.6 -8.4 154 160 A L H 3< S+ 0 0 120 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.881 108.7 48.0 -62.8 -39.5 -23.7 -23.4 -9.0 155 161 A E T 3< S+ 0 0 144 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.487 114.2 49.5 -83.6 1.6 -24.5 -23.8 -5.3 156 162 A N < + 0 0 92 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.1 -0.375 61.8 147.2-133.1 57.2 -23.7 -20.1 -4.6 157 163 A P + 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.744 58.9 69.2 -68.5 -25.5 -25.6 -18.1 -7.2 158 164 A D - 0 0 84 1,-0.1 4,-0.0 -3,-0.1 -3,-0.0 -0.857 58.8-171.3-100.2 115.4 -26.2 -15.0 -5.0 159 165 A P + 0 0 128 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.518 54.4 104.1 -80.4 -5.2 -23.0 -13.0 -4.2 160 166 A R S S- 0 0 193 1,-0.1 3,-0.1 3,-0.0 -2,-0.1 -0.329 85.4 -83.9 -76.9 158.9 -24.7 -10.8 -1.7 161 167 A G - 0 0 74 1,-0.1 -1,-0.1 2,-0.1 0, 0.0 -0.354 66.0 -76.7 -60.9 139.2 -24.3 -11.1 2.1 162 168 A A 0 0 106 1,-0.1 -1,-0.1 -3,-0.1 0, 0.0 -0.035 360.0 360.0 -45.0 136.1 -26.7 -13.6 3.7 163 169 A A 0 0 156 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.475 360.0 360.0 -16.3 360.0 -30.3 -12.5 4.1