==== 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 03-APR-06 2GKS . COMPND 2 MOLECULE: BIFUNCTIONAL SAT/APS KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR Z.YU,I.J.MACREA,E.B.LANSDON,I.H.SEGEL,A.J.FISHER . 1051 5 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 47809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 698 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 103 9.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 57 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 0.1 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 . 70 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 91 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 320 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.3 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 5 0 3 2 4 1 5 3 0 3 5 4 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 2 2 8 5 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 . 4 0 5 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 2 2 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 I 0 0 102 0, 0.0 3,-0.4 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 -5.8 30.5 15.2 59.8 2 5 A K + 0 0 196 1,-0.2 4,-0.1 4,-0.0 0, 0.0 0.593 360.0 52.0 -76.6 -14.4 29.3 17.2 56.8 3 6 A Y S S+ 0 0 85 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.645 98.8 89.3 -90.5 -17.5 30.4 14.4 54.4 4 7 A L S S- 0 0 60 -3,-0.4 2,-0.2 1,-0.1 70,-0.2 -0.420 82.8-107.3 -84.8 151.5 28.5 11.8 56.5 5 8 A K E -a 74 0A 78 68,-0.6 70,-3.0 -2,-0.1 2,-0.3 -0.529 35.3-149.2 -65.3 141.2 24.9 10.5 56.3 6 9 A S E -a 75 0A 53 68,-0.2 2,-0.3 -2,-0.2 70,-0.2 -0.871 12.9-171.9-114.5 146.9 22.6 11.7 59.1 7 10 A I E -a 76 0A 14 68,-2.5 70,-3.2 -2,-0.3 2,-0.5 -0.997 21.7-129.0-136.6 142.9 19.7 9.9 60.7 8 11 A Q E -a 77 0A 117 -2,-0.3 70,-0.2 68,-0.2 2,-0.2 -0.805 26.8-156.6 -88.7 125.8 17.1 11.1 63.2 9 12 A I - 0 0 11 68,-3.3 72,-0.1 -2,-0.5 51,-0.1 -0.564 20.7 -99.1 -97.8 164.5 16.8 8.7 66.2 10 13 A S > - 0 0 54 -2,-0.2 4,-2.4 49,-0.2 5,-0.1 -0.297 30.6-108.3 -76.9 165.9 13.7 8.4 68.5 11 14 A Q H > S+ 0 0 105 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.920 122.4 53.7 -56.3 -47.3 13.3 9.9 71.9 12 15 A R H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.929 110.6 45.8 -51.1 -50.0 13.7 6.4 73.4 13 16 A S H > S+ 0 0 3 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.831 107.5 57.1 -68.8 -34.5 17.0 5.9 71.5 14 17 A V H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.907 111.0 44.9 -55.2 -43.9 18.3 9.4 72.5 15 18 A L H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.892 112.5 49.4 -71.2 -41.5 17.8 8.4 76.2 16 19 A D H X S+ 0 0 1 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.900 113.0 49.6 -61.9 -40.9 19.4 4.9 75.6 17 20 A L H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.883 109.0 51.0 -66.2 -42.4 22.3 6.8 73.9 18 21 A E H X S+ 0 0 23 -4,-2.2 4,-1.8 2,-0.2 6,-0.2 0.948 113.3 44.9 -56.3 -50.9 22.7 9.3 76.8 19 22 A L H <>S+ 0 0 1 -4,-2.3 5,-2.0 214,-0.2 6,-1.0 0.834 112.8 51.1 -70.4 -31.7 22.8 6.4 79.4 20 23 A L H ><5S+ 0 0 8 -4,-2.3 3,-0.8 4,-0.2 -1,-0.2 0.919 110.3 51.3 -62.7 -45.2 25.3 4.4 77.2 21 24 A A H 3<5S+ 0 0 43 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.816 110.1 45.7 -66.1 -35.9 27.5 7.5 76.9 22 25 A V T 3<5S- 0 0 36 -4,-1.8 127,-0.3 -5,-0.1 -1,-0.2 0.439 116.3-108.8 -89.8 1.2 27.7 8.3 80.7 23 26 A G T X 5S+ 0 0 19 -3,-0.8 3,-1.2 -4,-0.4 -3,-0.2 0.654 77.9 133.6 85.3 17.8 28.4 4.7 81.6 24 27 A A T 3 S- 0 0 0 -6,-1.0 3,-2.3 3,-0.2 -1,-0.3 0.186 98.1-171.3 -98.2 14.1 24.8 0.7 81.2 26 29 A T T < + 0 0 65 -3,-1.2 227,-0.1 1,-0.4 3,-0.1 -0.175 68.4 32.5 -44.4 136.8 28.4 -0.4 82.0 27 30 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.4 0, 0.0 2,-0.1 -0.991 109.6 83.7 -81.8 -0.1 29.9 -2.7 80.7 28 31 A L < + 0 0 13 -3,-2.3 -3,-0.2 1,-0.1 -5,-0.1 -0.407 43.7 166.8 -63.5 137.6 27.7 -1.9 77.6 29 32 A D + 0 0 106 1,-0.2 101,-0.3 -2,-0.1 2,-0.3 0.270 60.2 24.7-135.2 6.3 29.1 0.9 75.4 30 33 A R S S- 0 0 74 99,-0.1 -1,-0.2 26,-0.1 2,-0.1 -0.952 94.9 -71.7-157.2 169.0 27.1 0.7 72.2 31 34 A F S S- 0 0 0 97,-0.4 97,-0.4 -2,-0.3 26,-0.2 -0.468 70.3 -87.3 -65.9 145.9 23.8 -0.5 70.9 32 35 A M - 0 0 1 24,-3.3 26,-0.3 -2,-0.1 -1,-0.1 -0.240 34.1-138.7 -67.2 138.7 23.6 -4.3 70.8 33 36 A G > - 0 0 7 -3,-0.1 4,-2.8 24,-0.1 5,-0.2 -0.317 38.4 -92.7 -78.3 174.5 24.8 -6.5 67.9 34 37 A E H > S+ 0 0 81 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.844 122.9 48.5 -62.9 -38.8 22.8 -9.5 66.8 35 38 A E H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.950 115.2 43.3 -68.2 -51.9 24.7 -12.1 69.0 36 39 A D H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.947 113.8 53.7 -54.5 -50.5 24.5 -10.0 72.2 37 40 A Y H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.897 109.8 45.7 -51.5 -49.1 20.8 -9.2 71.4 38 41 A R H X S+ 0 0 105 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.868 113.6 47.8 -69.7 -38.3 19.7 -12.8 71.0 39 42 A N H X S+ 0 0 57 -4,-2.0 4,-2.0 2,-0.2 6,-1.6 0.788 112.8 50.0 -73.3 -27.0 21.5 -14.1 74.1 40 43 A V H X S+ 0 0 0 -4,-2.1 4,-2.0 4,-0.3 -2,-0.2 0.932 113.6 45.5 -70.5 -48.9 20.0 -11.2 76.1 41 44 A V H < S+ 0 0 0 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.955 122.7 35.9 -55.9 -51.7 16.5 -11.9 74.8 42 45 A E H < S+ 0 0 98 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.837 140.0 4.9 -78.6 -35.0 16.9 -15.7 75.4 43 46 A S H < S- 0 0 56 -4,-2.0 -3,-0.2 2,-0.2 -2,-0.2 0.246 92.2-109.5-140.7 16.7 18.9 -15.9 78.6 44 47 A M S < S+ 0 0 17 -4,-2.0 8,-2.2 1,-0.2 2,-0.3 0.768 83.3 110.1 59.6 29.5 19.5 -12.3 80.0 45 48 A R B -D 51 0B 67 -6,-1.6 -2,-0.2 6,-0.3 6,-0.2 -0.981 69.8-119.7-137.5 145.2 23.2 -12.5 79.1 46 49 A L > - 0 0 15 4,-3.3 3,-1.9 -2,-0.3 -10,-0.1 -0.369 47.3 -99.0 -68.1 160.2 25.6 -10.9 76.6 47 50 A K T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -11,-0.0 0.842 127.2 58.5 -50.9 -35.4 27.3 -13.4 74.3 48 51 A S T 3 S- 0 0 96 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.708 122.7-106.1 -67.4 -24.2 30.3 -13.2 76.6 49 52 A G S < S+ 0 0 33 -3,-1.9 -2,-0.1 1,-0.4 3,-0.1 0.130 72.8 140.4 115.7 -19.2 28.2 -14.3 79.6 50 53 A T - 0 0 63 1,-0.1 -4,-3.3 -5,-0.1 -1,-0.4 -0.332 61.1-104.9 -57.7 133.0 27.9 -11.0 81.4 51 54 A L B +D 45 0B 12 -6,-0.2 -6,-0.3 242,-0.1 -1,-0.1 -0.448 53.7 151.8 -66.8 119.9 24.4 -10.4 82.8 52 55 A F - 0 0 0 -8,-2.2 -9,-0.1 -2,-0.3 -8,-0.1 -0.779 16.3-178.1-146.7 106.9 22.3 -8.0 80.9 53 56 A P + 0 0 0 0, 0.0 -9,-0.2 0, 0.0 -8,-0.1 0.645 65.3 55.9 -86.2 -15.1 18.6 -8.6 81.2 54 57 A I S S- 0 0 1 -10,-0.1 2,-0.1 189,-0.1 -13,-0.1 -0.975 80.9-126.2-122.4 124.2 17.1 -5.9 78.9 55 58 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 -24,-0.0 -0.458 15.8-161.3 -68.2 138.6 18.1 -5.4 75.2 56 59 A I + 0 0 0 -2,-0.1 -24,-3.3 -26,-0.1 2,-0.3 -0.948 29.3 153.2-122.6 103.3 19.4 -2.0 74.1 57 60 A T - 0 0 7 -2,-0.5 70,-0.1 -26,-0.2 -41,-0.1 -0.843 43.1-122.9-134.0 165.0 19.1 -1.7 70.3 58 61 A L E -E 126 0C 0 68,-0.6 68,-2.1 -26,-0.3 2,-0.0 -0.890 26.1-146.8-119.7 102.3 18.7 1.0 67.6 59 62 A P E -E 125 0C 27 0, 0.0 2,-0.3 0, 0.0 66,-0.2 -0.331 15.2-173.4 -70.9 146.8 15.7 0.6 65.3 60 63 A M E -E 124 0C 10 64,-2.3 64,-1.7 62,-0.2 -51,-0.0 -0.990 29.2-111.8-143.2 128.0 15.9 1.7 61.7 61 64 A E >> - 0 0 115 -2,-0.3 4,-2.2 61,-0.3 3,-0.9 -0.363 35.3-113.3 -62.6 138.0 13.0 1.8 59.1 62 65 A K H 3> S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.726 111.9 54.1 -42.3 -38.3 13.5 -0.8 56.4 63 66 A E H 34 S+ 0 0 99 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.898 111.7 42.5 -73.7 -39.4 14.1 1.7 53.6 64 67 A I H X4 S+ 0 0 64 -3,-0.9 3,-1.6 1,-0.2 4,-0.4 0.935 111.1 56.3 -67.0 -44.9 16.9 3.6 55.3 65 68 A A H >< S+ 0 0 7 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.835 100.6 58.8 -57.0 -36.7 18.6 0.4 56.5 66 69 A K T 3< S+ 0 0 126 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.710 104.8 50.7 -65.1 -24.3 18.9 -0.9 53.0 67 70 A D T < S+ 0 0 97 -3,-1.6 -1,-0.2 -4,-0.5 2,-0.2 0.416 85.0 110.3 -98.5 1.4 20.9 2.1 51.9 68 71 A L < - 0 0 20 -3,-1.1 2,-0.4 -4,-0.4 24,-0.0 -0.544 62.0-140.0 -74.4 138.0 23.4 1.7 54.8 69 72 A K > - 0 0 125 -2,-0.2 3,-2.1 1,-0.0 20,-0.3 -0.874 24.6-102.9-105.2 134.5 26.9 0.7 53.8 70 73 A E T 3 S+ 0 0 198 -2,-0.4 20,-0.2 1,-0.3 -1,-0.0 -0.288 105.0 8.8 -54.3 126.8 28.9 -1.8 55.8 71 74 A G T 3 S+ 0 0 24 18,-3.7 -1,-0.3 1,-0.3 19,-0.1 0.361 94.5 137.0 86.4 -3.9 31.6 0.0 57.8 72 75 A E < - 0 0 41 -3,-2.1 17,-3.0 17,-0.3 2,-0.5 -0.421 52.0-123.1 -79.7 150.3 30.4 3.5 57.1 73 76 A W E - B 0 88A 65 15,-0.2 -68,-0.6 -2,-0.1 2,-0.3 -0.804 30.5-176.3 -91.9 131.7 30.1 6.3 59.7 74 77 A I E -aB 5 87A 0 13,-2.9 13,-3.1 -2,-0.5 2,-0.5 -0.899 25.4-120.3-124.2 155.7 26.8 8.0 60.2 75 78 A V E -aB 6 86A 0 -70,-3.0 -68,-2.5 -2,-0.3 2,-0.6 -0.831 19.9-148.3 -93.8 126.9 25.6 10.9 62.4 76 79 A L E -aB 7 85A 0 9,-3.1 8,-2.7 -2,-0.5 9,-1.3 -0.881 21.9-175.0 -95.3 119.7 22.9 10.1 65.0 77 80 A R E -aB 8 83A 46 -70,-3.2 -68,-3.3 -2,-0.6 -63,-0.0 -0.855 21.0-121.0-115.8 150.3 20.7 13.2 65.4 78 81 A D > - 0 0 30 4,-2.1 3,-2.8 -2,-0.3 -68,-0.1 -0.243 47.1 -81.4 -79.6 174.7 17.8 13.7 67.9 79 82 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -71,-0.1 0.508 133.3 51.5 -54.8 -7.7 14.1 14.6 66.9 80 83 A K T 3 S- 0 0 120 2,-0.1 -72,-0.0 0, 0.0 -2,-0.0 0.153 121.4-107.1-117.2 14.5 15.2 18.2 66.5 81 84 A N < + 0 0 53 -3,-2.8 -73,-0.0 1,-0.2 -74,-0.0 0.574 68.1 147.3 75.9 15.7 18.2 17.4 64.2 82 85 A V - 0 0 58 1,-0.1 -4,-2.1 2,-0.0 2,-0.5 -0.690 51.0-121.2 -82.6 128.9 20.9 18.1 66.8 83 86 A P E +B 77 0A 24 0, 0.0 -6,-0.2 0, 0.0 3,-0.1 -0.601 38.4 167.0 -80.2 120.7 24.0 15.7 66.3 84 87 A L E - 0 0 6 -8,-2.7 49,-2.8 -2,-0.5 50,-1.8 0.736 60.3 -16.1-103.4 -30.6 24.7 13.6 69.4 85 88 A A E -BC 76 132A 0 -9,-1.3 -9,-3.1 47,-0.3 2,-0.4 -0.981 54.1-118.8-162.2 161.4 27.1 11.0 68.1 86 89 A I E -BC 75 131A 28 45,-2.6 45,-2.7 -2,-0.3 2,-0.4 -0.928 31.0-163.7-104.9 144.8 28.6 9.3 65.1 87 90 A M E -BC 74 130A 0 -13,-3.1 -13,-2.9 -2,-0.4 2,-0.4 -0.985 15.5-133.2-129.8 138.8 28.1 5.6 64.8 88 91 A R E -B 73 0A 91 41,-2.4 2,-1.3 -2,-0.4 3,-0.3 -0.755 22.4-129.1 -90.8 134.2 29.8 3.1 62.6 89 92 A V + 0 0 2 -17,-3.0 -18,-3.7 -2,-0.4 -17,-0.3 -0.705 51.5 144.3 -87.0 95.4 27.5 0.7 60.7 90 93 A E + 0 0 81 37,-2.4 2,-0.4 -2,-1.3 38,-0.2 0.706 66.5 27.8-103.0 -27.0 29.0 -2.7 61.6 91 94 A E E +F 127 0C 63 36,-2.1 36,-1.8 -3,-0.3 2,-0.4 -0.999 51.0 176.2-138.9 139.3 25.7 -4.6 61.8 92 95 A V E +F 126 0C 60 -2,-0.4 2,-0.3 34,-0.2 34,-0.2 -0.949 25.6 156.4-137.5 116.2 22.3 -4.3 60.2 93 96 A Y E -F 125 0C 10 32,-2.1 32,-3.5 -2,-0.4 2,-0.2 -0.977 39.1-113.6-143.8 152.2 19.8 -7.1 61.1 94 97 A K E -F 124 0C 140 -2,-0.3 2,-0.3 30,-0.2 30,-0.2 -0.535 28.7-160.4 -80.4 151.8 16.1 -7.9 61.3 95 98 A W - 0 0 37 28,-1.2 2,-0.4 -2,-0.2 -61,-0.0 -0.775 13.5-127.4-123.1 173.0 14.4 -8.5 64.6 96 99 A N > - 0 0 89 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.992 4.6-154.4-128.5 125.2 11.2 -10.2 65.4 97 100 A L H > S+ 0 0 35 -2,-0.4 4,-3.4 2,-0.2 5,-0.3 0.926 97.5 47.5 -65.2 -48.0 8.6 -8.5 67.6 98 101 A E H > S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 5,-0.4 0.905 113.1 50.8 -59.6 -44.2 6.9 -11.7 68.9 99 102 A Y H > S+ 0 0 44 1,-0.2 4,-1.5 2,-0.2 5,-0.2 0.947 118.0 37.1 -55.0 -53.7 10.4 -13.1 69.7 100 103 A E H X S+ 0 0 11 -4,-2.4 4,-2.4 2,-0.2 5,-0.5 0.900 118.7 47.4 -72.5 -44.5 11.5 -10.1 71.6 101 104 A A H X>S+ 0 0 0 -4,-3.4 4,-2.2 -5,-0.2 6,-1.0 0.929 114.1 45.2 -65.2 -48.1 8.2 -9.2 73.3 102 105 A K H X5S+ 0 0 118 -4,-2.1 4,-0.8 -5,-0.3 -1,-0.2 0.896 119.7 41.0 -65.6 -40.8 7.4 -12.7 74.6 103 106 A N H <5S+ 0 0 70 -4,-1.5 -2,-0.2 -5,-0.4 -1,-0.2 0.942 126.7 30.3 -73.4 -50.6 10.9 -13.4 75.8 104 107 A V H <5S+ 0 0 10 -4,-2.4 138,-0.3 -5,-0.2 -3,-0.2 0.884 135.7 26.3 -77.1 -39.4 11.7 -10.1 77.4 105 108 A L H <5S- 0 0 4 -4,-2.2 -3,-0.2 -5,-0.5 -2,-0.2 0.660 92.9-128.1-101.8 -20.0 8.1 -9.0 78.5 106 109 A G S < - 0 0 22 1,-0.1 3,-2.0 -8,-0.1 6,-0.3 -0.496 56.2-142.4 -67.2 122.5 -0.6 -8.2 74.2 110 113 A P T 3 S+ 0 0 84 0, 0.0 6,-0.3 0, 0.0 -1,-0.1 0.625 97.2 76.2 -63.1 -16.4 -0.8 -4.6 72.7 111 114 A R T 3 S+ 0 0 163 4,-0.1 159,-0.1 5,-0.1 -2,-0.0 0.790 74.2 90.7 -58.9 -32.6 -2.2 -3.5 76.0 112 115 A H S <> S- 0 0 0 -3,-2.0 4,-2.3 1,-0.2 3,-0.3 -0.602 84.1-137.9 -65.9 120.2 1.4 -3.7 77.3 113 116 A P H > S+ 0 0 23 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.815 100.7 48.2 -57.4 -35.8 2.7 -0.1 76.5 114 117 A L H > S+ 0 0 9 123,-0.3 4,-2.6 2,-0.2 5,-0.1 0.878 108.5 53.2 -70.8 -40.3 6.0 -1.3 75.2 115 118 A V H > S+ 0 0 0 -3,-0.3 4,-1.2 -6,-0.3 -1,-0.2 0.943 110.5 49.0 -57.1 -46.8 4.4 -4.0 72.9 116 119 A A H < S+ 0 0 45 -4,-2.3 3,-0.2 -6,-0.3 -2,-0.2 0.875 113.5 45.6 -60.0 -41.6 2.2 -1.2 71.5 117 120 A E H >< S+ 0 0 59 -4,-1.8 3,-2.2 -5,-0.2 4,-0.3 0.843 104.1 63.5 -69.1 -34.9 5.3 1.1 70.9 118 121 A M H >< S+ 0 0 3 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.796 90.9 65.2 -62.5 -30.9 7.3 -1.8 69.4 119 122 A H T 3< S+ 0 0 122 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.506 102.5 50.7 -66.3 -6.0 4.8 -2.0 66.5 120 123 A T T < S+ 0 0 109 -3,-2.2 -1,-0.2 2,-0.1 -2,-0.2 0.438 87.9 106.5-107.8 -6.2 6.1 1.5 65.6 121 124 A W S < S- 0 0 32 -3,-1.2 -61,-0.1 -4,-0.3 -3,-0.0 -0.484 81.1-100.4 -75.3 143.1 9.8 0.6 65.7 122 125 A G - 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0 0 27 -3,-2.3 -1,-0.3 1,-0.1 -3,-0.0 -0.765 51.1-167.1 -92.8 141.3 -9.5 27.0 52.7 403 420 A G - 0 0 43 -2,-0.3 -1,-0.1 -3,-0.1 0, 0.0 0.140 37.9 -80.3-102.3-143.1 -12.2 26.1 50.2 404 421 A F S S+ 0 0 186 4,-0.1 2,-0.1 5,-0.0 -2,-0.0 0.178 77.8 121.8-118.1 15.7 -14.9 23.4 50.0 405 422 A S S > S- 0 0 60 1,-0.1 4,-2.3 4,-0.0 5,-0.3 -0.492 75.5-110.3 -76.5 150.9 -13.0 20.3 48.8 406 423 A K H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.887 119.6 51.4 -45.3 -49.3 -13.1 17.2 51.1 407 424 A E H > S+ 0 0 145 1,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.922 111.1 46.1 -53.6 -51.2 -9.4 17.7 51.9 408 425 A D H > S+ 0 0 49 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.786 111.4 52.4 -66.8 -29.9 -9.9 21.3 52.9 409 426 A R H X S+ 0 0 24 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.865 112.8 44.9 -72.2 -37.9 -13.0 20.5 55.0 410 427 A I H X S+ 0 0 47 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.961 111.9 51.8 -68.3 -51.5 -11.0 17.8 56.8 411 428 A T H X S+ 0 0 16 -4,-3.2 4,-1.7 1,-0.2 -2,-0.2 0.875 111.0 49.8 -48.5 -42.4 -8.1 20.2 57.2 412 429 A N H X S+ 0 0 28 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.883 109.7 48.8 -68.0 -41.7 -10.5 22.7 58.7 413 430 A I H X S+ 0 0 4 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.905 113.1 48.5 -61.4 -44.3 -12.0 20.2 61.2 414 431 A L H X S+ 0 0 41 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.841 110.3 52.3 -67.1 -32.5 -8.5 19.2 62.3 415 432 A R H X S+ 0 0 3 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.923 111.2 43.7 -70.5 -49.4 -7.5 22.8 62.7 416 433 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.864 114.4 53.8 -60.8 -38.3 -10.5 23.8 64.9 417 434 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.2 -2,-0.2 0.917 107.5 49.3 -60.6 -46.1 -9.8 20.6 66.8 418 435 A F H X S+ 0 0 14 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.937 112.8 47.2 -57.8 -49.4 -6.2 21.5 67.3 419 436 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.965 112.7 48.9 -58.9 -52.8 -7.2 24.9 68.6 420 437 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.868 107.8 55.9 -51.1 -41.8 -9.9 23.4 70.9 421 438 A S H X S+ 0 0 16 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.887 106.9 48.7 -64.3 -38.2 -7.3 20.9 72.3 422 439 A E H X S+ 0 0 29 -4,-1.8 4,-1.1 -3,-0.4 -1,-0.2 0.891 111.2 50.0 -67.2 -40.7 -4.9 23.6 73.3 423 440 A I H ><>S+ 0 0 1 -4,-2.0 5,-2.5 1,-0.2 3,-0.8 0.948 111.4 48.8 -61.7 -46.0 -7.7 25.5 75.1 424 441 A V H ><5S+ 0 0 4 -4,-2.7 3,-2.5 1,-0.2 -69,-0.4 0.891 103.1 62.1 -58.6 -41.8 -8.7 22.4 76.9 425 442 A K H 3<5S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.831 105.9 46.5 -52.8 -34.6 -5.1 21.8 77.9 426 443 A H T <<5S- 0 0 14 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.152 124.7-104.7 -97.3 18.3 -5.2 25.1 79.8 427 444 A N T < 5S+ 0 0 34 -3,-2.5 -3,-0.2 1,-0.2 2,-0.2 0.714 73.3 144.7 63.4 27.2 -8.6 24.1 81.4 428 445 A G < - 0 0 1 -5,-2.5 -72,-1.1 -6,-0.2 2,-0.5 -0.515 51.5-120.7 -84.8 159.4 -10.6 26.4 79.2 429 446 A V E -pr 356 386J 0 -44,-1.4 -42,-2.4 -74,-0.2 2,-0.4 -0.883 30.5-174.1 -97.1 132.3 -14.1 25.7 77.9 430 447 A V E -pr 357 387J 0 -74,-2.0 -72,-2.5 -2,-0.5 2,-0.5 -0.997 9.3-164.2-129.7 126.2 -14.4 25.7 74.1 431 448 A I E -pr 358 388J 0 -44,-2.9 -42,-3.2 -2,-0.4 2,-0.4 -0.974 9.5-166.9-110.7 124.0 -17.6 25.3 72.2 432 449 A C E -pr 359 389J 0 -74,-3.3 -72,-3.5 -2,-0.5 2,-0.3 -0.929 8.8-175.2-111.8 137.7 -17.3 24.4 68.5 433 450 A A E +p 360 0J 3 -44,-2.0 2,-0.3 -2,-0.4 -42,-0.3 -0.778 29.0 131.8-136.1 86.1 -20.2 24.7 66.1 434 451 A L - 0 0 20 -74,-1.3 -72,-0.3 -2,-0.3 -2,-0.1 -0.952 64.1-120.3-131.5 153.1 -19.4 23.4 62.6 435 452 A V + 0 0 35 -2,-0.3 -73,-1.0 -74,-0.2 -1,-0.1 0.919 43.7 176.2 -53.0 -42.0 -21.2 21.0 60.2 436 453 A S - 0 0 4 -75,-0.2 6,-0.1 1,-0.1 -2,-0.1 0.876 4.2-179.3 27.6 73.9 -18.0 18.9 60.5 437 454 A P + 0 0 10 0, 0.0 52,-2.2 0, 0.0 2,-0.6 0.649 47.2 88.3 -77.7 -19.8 -19.6 16.1 58.3 438 455 A Y > - 0 0 13 1,-0.1 4,-1.7 50,-0.1 5,-0.2 -0.740 58.9-159.3 -94.4 121.5 -16.8 13.6 58.3 439 456 A R H > S+ 0 0 82 -2,-0.6 4,-2.0 1,-0.2 -1,-0.1 0.833 89.9 55.3 -68.7 -37.4 -16.8 11.0 61.1 440 457 A S H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.889 108.5 50.1 -63.4 -37.6 -13.2 10.0 60.9 441 458 A A H > S+ 0 0 2 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.876 110.0 48.2 -69.9 -40.4 -12.1 13.7 61.2 442 459 A R H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.873 111.3 52.4 -65.2 -38.3 -14.3 14.3 64.3 443 460 A N H X S+ 0 0 65 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.841 106.0 53.2 -64.0 -38.2 -12.8 11.1 65.8 444 461 A Q H < S+ 0 0 101 -4,-1.8 4,-0.4 2,-0.2 -1,-0.2 0.856 108.6 50.8 -61.3 -39.3 -9.3 12.4 65.1 445 462 A V H >< S+ 0 0 0 -4,-1.6 3,-1.4 2,-0.2 4,-0.3 0.929 106.8 53.2 -64.9 -47.7 -10.3 15.5 67.0 446 463 A R H >< S+ 0 0 61 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.915 105.5 55.4 -47.0 -49.4 -11.6 13.4 70.0 447 464 A N T 3< S+ 0 0 134 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.604 94.3 68.7 -65.8 -12.8 -8.2 11.7 70.0 448 465 A M T < S+ 0 0 68 -3,-1.4 2,-0.3 -4,-0.4 -1,-0.3 0.563 101.3 56.2 -77.1 -10.7 -6.5 15.1 70.4 449 466 A M S < S- 0 0 20 -3,-1.9 5,-0.1 -4,-0.3 3,-0.1 -0.834 96.2 -89.4-124.0 159.5 -7.9 15.4 73.9 450 467 A E > - 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0 0 32 -5,-1.7 -1,-0.2 -8,-0.1 2,-0.2 -0.852 51.8-135.5-101.7 127.7 3.0 26.3 83.9 911 402 B K - 0 0 74 -2,-0.5 44,-1.1 -486,-0.1 2,-0.4 -0.575 30.8-160.0 -67.4 136.6 1.3 24.6 81.1 912 403 B V E -k 955 0T 9 -2,-0.2 2,-0.6 42,-0.1 44,-0.2 -0.987 20.8-155.8-128.0 133.4 2.7 26.0 77.8 913 404 B T E -k 956 0T 2 42,-2.5 44,-2.7 -2,-0.4 2,-0.7 -0.953 18.7-157.7 -97.9 123.5 1.4 26.1 74.2 914 405 B L E -k 957 0T 32 -2,-0.6 2,-0.9 42,-0.2 44,-0.2 -0.912 8.9-171.6-106.6 109.6 4.4 26.5 71.9 915 406 B L E +k 958 0T 0 42,-3.5 44,-2.3 -2,-0.7 2,-0.1 -0.758 25.4 155.5-101.9 84.0 3.4 27.9 68.5 916 407 B D E > -k 959 0T 18 -2,-0.9 4,-2.6 42,-0.2 5,-0.3 -0.400 59.5 -81.1-100.0-179.1 6.6 27.5 66.5 917 408 B G H > S+ 0 0 20 42,-0.5 4,-2.9 1,-0.2 5,-0.2 0.877 126.7 45.2 -49.1 -51.0 7.2 27.3 62.7 918 409 B D H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 114.2 46.7 -65.3 -45.5 6.4 23.6 62.4 919 410 B V H > S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 5,-0.5 0.937 116.7 44.9 -61.3 -48.3 3.2 23.6 64.6 920 411 B V H X>S+ 0 0 2 -4,-2.6 5,-2.9 1,-0.2 4,-2.5 0.938 113.8 48.2 -64.9 -47.6 1.9 26.7 62.8 921 412 B R H <5S+ 0 0 143 -4,-2.9 5,-0.4 -5,-0.3 -1,-0.2 0.853 117.2 44.5 -64.9 -31.1 2.7 25.4 59.3 922 413 B T H <5S+ 0 0 77 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.952 130.5 17.0 -72.6 -53.1 1.1 22.0 60.2 923 414 B H H <5S+ 0 0 62 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.706 136.4 22.5 -99.8 -26.0 -2.1 23.1 61.9 924 415 B L T <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.5 -4,-0.1 0.780 112.4 54.6-115.0 -35.6 -2.7 26.8 61.0 925 416 B S S > S- 0 0 54 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.313 78.1-104.9 -69.0 166.4 1.9 37.0 49.6 932 423 B K H > S+ 0 0 104 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.945 123.7 49.7 -57.8 -47.8 2.3 39.9 52.1 933 424 B E H > S+ 0 0 120 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.926 109.8 49.1 -55.4 -52.2 -1.5 39.6 52.8 934 425 B D H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.840 111.6 50.6 -59.2 -34.8 -1.4 35.8 53.4 935 426 B R H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.837 111.0 47.4 -72.7 -34.0 1.6 36.3 55.7 936 427 B I H X S+ 0 0 43 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.934 111.0 52.4 -68.7 -47.0 -0.3 39.0 57.7 937 428 B T H X S+ 0 0 12 -4,-3.4 4,-2.4 1,-0.2 -2,-0.2 0.936 109.0 50.9 -47.3 -52.7 -3.3 36.7 57.8 938 429 B N H X S+ 0 0 33 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.923 110.6 47.3 -55.6 -49.7 -1.0 34.0 59.2 939 430 B I H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.954 113.8 48.0 -56.1 -52.2 0.4 36.3 61.9 940 431 B L H X S+ 0 0 39 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.815 110.3 53.1 -58.2 -34.5 -3.1 37.4 62.9 941 432 B R H X S+ 0 0 2 -4,-2.4 4,-2.0 -5,-0.2 -1,-0.2 0.942 110.3 45.6 -64.3 -51.8 -4.3 33.7 62.9 942 433 B V H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.884 113.5 52.8 -58.4 -40.1 -1.5 32.7 65.3 943 434 B G H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.850 105.4 52.0 -63.8 -41.1 -2.4 35.8 67.4 944 435 B F H X S+ 0 0 14 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.936 112.7 45.7 -61.1 -48.8 -6.1 35.0 67.6 945 436 B V H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.913 113.3 49.5 -59.9 -46.3 -5.2 31.5 69.0 946 437 B A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.873 109.6 52.7 -61.4 -36.6 -2.6 32.9 71.4 947 438 B S H X S+ 0 0 15 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.816 107.1 51.2 -74.4 -29.4 -5.1 35.5 72.6 948 439 B E H X S+ 0 0 30 -4,-1.7 4,-0.8 2,-0.2 -1,-0.2 0.853 110.1 49.8 -71.7 -35.7 -7.7 32.8 73.4 949 440 B I H ><>S+ 0 0 1 -4,-1.8 5,-2.5 2,-0.2 3,-0.6 0.898 109.8 50.4 -67.9 -39.9 -5.1 30.8 75.4 950 441 B V H ><5S+ 0 0 2 -4,-2.1 3,-2.0 1,-0.2 -69,-0.5 0.880 102.4 62.5 -63.6 -38.4 -4.2 33.9 77.4 951 442 B K H 3<5S+ 0 0 73 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.810 104.4 47.6 -52.6 -33.9 -7.9 34.4 78.0 952 443 B H T <<5S- 0 0 13 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.162 125.9-102.0 -98.6 16.5 -7.9 31.1 79.9 953 444 B N T < 5S+ 0 0 41 -3,-2.0 -3,-0.2 1,-0.2 2,-0.2 0.692 75.6 145.2 67.6 26.3 -4.8 32.0 81.9 954 445 B G < - 0 0 2 -5,-2.5 -72,-1.4 -6,-0.1 2,-0.5 -0.489 50.4-121.6 -87.2 158.7 -2.5 29.9 79.7 955 446 B V E -ik 882 912T 0 -44,-1.1 -42,-2.5 -74,-0.2 2,-0.4 -0.904 29.6-173.2 -99.4 127.9 1.1 30.6 78.7 956 447 B V E -ik 883 913T 0 -74,-2.1 -72,-3.2 -2,-0.5 2,-0.5 -0.980 9.9-166.9-119.8 137.4 1.7 30.8 74.9 957 448 B I E -ik 884 914T 0 -44,-2.7 -42,-3.5 -2,-0.4 2,-0.5 -0.991 7.8-168.7-120.1 126.5 5.0 31.1 73.3 958 449 B C E -ik 885 915T 0 -74,-2.9 -72,-3.3 -2,-0.5 2,-0.4 -0.960 6.6-172.6-116.4 129.2 5.0 32.1 69.6 959 450 B A E +ik 886 916T 4 -44,-2.3 -42,-0.5 -2,-0.5 2,-0.3 -0.752 30.6 134.0-124.1 85.6 8.2 31.8 67.5 960 451 B L - 0 0 19 -74,-1.3 -72,-0.4 -2,-0.4 -2,-0.1 -0.948 62.5-124.9-128.2 151.1 7.6 33.3 64.1 961 452 B V + 0 0 45 -2,-0.3 -73,-0.6 -74,-0.2 -1,-0.1 0.908 42.6 177.3 -55.9 -39.0 9.7 35.7 62.0 962 453 B S - 0 0 4 -75,-0.1 6,-0.1 1,-0.1 -2,-0.1 0.870 3.6-177.5 30.2 72.8 6.5 37.8 61.9 963 454 B P + 0 0 18 0, 0.0 57,-2.0 0, 0.0 2,-0.5 0.746 49.2 88.6 -72.1 -25.2 8.2 40.6 59.9 964 455 B Y > - 0 0 1 1,-0.1 4,-1.8 55,-0.1 5,-0.1 -0.654 59.4-158.9 -89.6 120.3 5.3 43.1 59.7 965 456 B R H > S+ 0 0 78 -2,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.881 90.6 50.7 -64.4 -42.9 5.1 45.6 62.7 966 457 B S H > S+ 0 0 76 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.890 107.2 54.0 -64.3 -41.6 1.4 46.4 62.2 967 458 B A H > S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.919 112.3 45.1 -57.2 -45.4 0.4 42.8 62.1 968 459 B R H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.860 110.6 52.7 -64.2 -41.7 2.2 42.3 65.4 969 460 B N H X S+ 0 0 69 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.929 106.1 55.4 -58.5 -46.8 0.6 45.5 66.9 970 461 B Q H < S+ 0 0 102 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.870 106.9 49.8 -48.7 -44.0 -2.8 44.0 65.9 971 462 B V H >< S+ 0 0 0 -4,-1.4 3,-1.3 1,-0.2 4,-0.4 0.888 106.7 54.3 -67.5 -40.3 -2.0 40.9 67.9 972 463 B R H >< S+ 0 0 64 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.886 105.1 55.9 -55.4 -40.8 -1.0 43.1 70.9 973 464 B N T 3< S+ 0 0 131 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.541 96.8 65.1 -70.3 -8.9 -4.4 44.7 70.6 974 465 B M T < S+ 0 0 60 -3,-1.3 2,-0.3 -4,-0.3 -1,-0.2 0.610 100.2 58.1 -86.6 -14.9 -6.1 41.2 70.8 975 466 B M S < S- 0 0 17 -3,-1.2 3,-0.1 -4,-0.4 5,-0.1 -0.798 96.9 -86.6-119.9 156.8 -5.0 40.7 74.4 976 467 B E > - 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