==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA BINDING PROTEIN 03-DEC-11 3UWX . COMPND 2 MOLECULE: EXCINUCLEASE ABC, A SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS; . AUTHOR D.PAKOTIPRAPHA,D.JERUZALMI . 1540 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 72184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1039 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 107 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 134 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.3 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 . 111 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 143 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 448 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 2.0 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 6 8 5 4 1 2 6 0 5 4 4 0 3 0 0 0 0 2 0 0 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 5 11 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 . 13 3 2 10 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 ANTIPARALLEL BRIDGES PER LADDER . 6 3 0 0 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 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 1 A M 0 0 169 0, 0.0 3,-0.1 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0-129.1 53.8 -39.9 0.6 2 2 A D + 0 0 121 1,-0.1 21,-1.4 21,-0.0 2,-0.3 0.184 360.0 38.5-111.5 15.8 55.5 -38.2 3.5 3 3 A K E S-A 22 0A 60 19,-0.2 2,-0.6 21,-0.0 -1,-0.1 -0.962 72.3-124.7-163.8 144.8 56.2 -34.8 1.9 4 4 A I E -A 21 0A 3 17,-2.6 17,-2.5 -2,-0.3 2,-0.5 -0.840 28.4-163.6 -97.1 123.3 54.6 -32.3 -0.5 5 5 A I E -AB 20 77A 33 72,-2.4 72,-1.3 -2,-0.6 2,-0.5 -0.901 6.9-167.0-113.2 129.9 56.7 -31.5 -3.6 6 6 A V E -AB 19 76A 0 13,-2.6 13,-2.5 -2,-0.5 2,-0.5 -0.964 8.8-156.5-119.0 127.7 56.2 -28.5 -5.9 7 7 A K E - B 0 75A 93 68,-2.7 67,-1.0 -2,-0.5 68,-0.9 -0.874 61.4 -16.7-109.7 123.9 57.9 -28.3 -9.3 8 8 A G E - 0 0 1 -2,-0.5 66,-0.6 8,-0.3 2,-0.3 0.890 69.9-176.0 60.0 53.5 58.7 -25.1 -11.3 9 9 A A E +AB 17 73A 0 8,-2.2 8,-1.5 -3,-0.2 7,-0.6 -0.606 16.9 168.2 -81.0 138.8 56.4 -22.4 -9.7 10 10 A R + 0 0 69 62,-2.0 63,-0.1 -2,-0.3 -1,-0.1 -0.134 15.9 151.6-140.4 40.0 56.4 -19.0 -11.3 11 11 A A S S- 0 0 25 28,-0.1 -1,-0.1 2,-0.1 29,-0.1 0.887 79.3 -36.1 -41.1 -75.0 53.4 -17.3 -9.6 12 12 A H S S- 0 0 131 24,-0.1 24,-0.0 548,-0.1 28,-0.0 0.596 135.8 -2.7-113.9 -80.8 54.5 -13.7 -9.7 13 13 A N S S+ 0 0 27 21,-0.1 -2,-0.1 2,-0.0 2,-0.1 0.360 94.3 130.6 -98.7 3.5 58.2 -13.1 -9.2 14 14 A L - 0 0 7 1,-0.1 2,-0.8 3,-0.0 551,-0.2 -0.339 56.3-137.4 -63.2 137.7 59.1 -16.8 -8.7 15 15 A K - 0 0 80 549,-2.5 -5,-0.2 1,-0.1 -1,-0.1 -0.373 56.2 -79.0 -99.1 54.6 62.0 -18.0 -10.8 16 16 A N S S- 0 0 86 -2,-0.8 -8,-0.3 -7,-0.6 -6,-0.2 0.913 78.1-178.1 53.4 48.3 60.7 -21.5 -11.9 17 17 A I E -A 9 0A 12 -8,-1.5 -8,-2.2 547,-0.2 2,-0.4 -0.469 27.1-148.2 -88.7 148.0 61.6 -22.9 -8.5 18 18 A D E + 0 0 83 -11,-0.2 2,-0.3 -10,-0.2 -11,-0.2 -0.909 23.7 173.7-106.3 139.9 61.4 -26.4 -7.2 19 19 A V E -A 6 0A 13 -13,-2.5 -13,-2.6 -2,-0.4 2,-0.4 -0.970 22.5-149.9-152.3 134.8 60.8 -26.9 -3.5 20 20 A E E -A 5 0A 90 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.0 -0.849 13.5-165.9-100.0 137.6 60.1 -29.8 -1.1 21 21 A I E -A 4 0A 1 -17,-2.5 -17,-2.6 -2,-0.4 2,-0.2 -0.990 24.4-117.6-127.7 126.0 58.0 -29.2 2.0 22 22 A P E > -A 3 0A 24 0, 0.0 3,-0.9 0, 0.0 -19,-0.2 -0.402 32.5-120.5 -66.1 129.5 57.8 -31.7 4.9 23 23 A R T 3 S+ 0 0 83 -21,-1.4 3,-0.1 1,-0.2 511,-0.1 -0.368 86.0 6.5 -69.8 145.2 54.3 -33.2 5.5 24 24 A G T 3 S+ 0 0 29 1,-0.2 2,-0.3 509,-0.1 -1,-0.2 0.710 103.0 111.5 59.1 26.7 52.6 -32.8 8.8 25 25 A K S < S- 0 0 107 -3,-0.9 2,-1.4 511,-0.1 511,-0.4 -0.945 81.5 -95.2-130.2 153.3 55.2 -30.4 10.3 26 26 A L - 0 0 0 -2,-0.3 524,-1.4 509,-0.1 525,-0.9 -0.477 48.8-172.3 -67.4 92.6 55.2 -26.8 11.3 27 27 A V E -cd 537 551B 0 509,-2.4 511,-2.7 -2,-1.4 2,-0.5 -0.744 4.4-160.9 -91.0 133.5 56.7 -25.3 8.1 28 28 A V E -cd 538 552B 0 523,-0.6 525,-1.8 -2,-0.4 2,-0.4 -0.951 5.3-157.2-121.9 120.0 57.6 -21.6 8.2 29 29 A L E +cd 539 553B 1 509,-1.7 511,-1.8 -2,-0.5 2,-0.3 -0.773 24.7 164.2 -91.7 133.3 58.1 -19.4 5.2 30 30 A T E + d 0 554B 0 523,-2.2 525,-3.2 -2,-0.4 2,-0.3 -0.919 8.9 112.9-143.6 168.0 60.3 -16.2 5.6 31 31 A G E - d 0 555B 2 509,-0.3 525,-0.1 -2,-0.3 3,-0.1 -0.935 61.8 -40.6 155.3-174.6 62.1 -13.6 3.7 32 32 A L S > S- 0 0 12 524,-0.5 3,-1.8 523,-0.5 2,-0.7 -0.242 78.2 -71.5 -74.2 167.3 62.2 -9.9 2.9 33 33 A S T 3 S+ 0 0 5 1,-0.3 -1,-0.1 2,-0.1 823,-0.1 -0.479 121.7 5.2 -66.9 107.0 59.0 -7.9 2.1 34 34 A G T 3 S+ 0 0 19 -2,-0.7 526,-1.6 525,-0.1 -1,-0.3 0.632 82.7 133.1 95.7 19.0 57.8 -9.0 -1.3 35 35 A S S < S- 0 0 0 -3,-1.8 529,-1.9 524,-0.2 530,-0.2 0.652 88.6 -89.1 -74.1 -14.6 60.4 -11.8 -1.8 36 36 A G S > S+ 0 0 5 -4,-0.2 4,-1.0 527,-0.1 5,-0.2 0.709 83.2 137.0 112.1 34.3 57.5 -14.0 -2.9 37 37 A K H > S+ 0 0 14 -5,-0.3 4,-2.6 2,-0.2 5,-0.3 0.923 81.3 40.4 -73.1 -45.0 56.2 -15.6 0.3 38 38 A S H >>S+ 0 0 55 1,-0.2 5,-2.9 2,-0.2 4,-1.7 0.847 109.4 61.5 -71.4 -34.7 52.5 -15.1 -0.6 39 39 A S H 45S+ 0 0 13 3,-0.2 -1,-0.2 4,-0.2 -2,-0.2 0.832 116.3 31.5 -59.9 -34.7 53.2 -16.0 -4.2 40 40 A L H X>S+ 0 0 2 -4,-1.0 5,-2.5 -3,-0.2 4,-0.7 0.936 126.4 38.1 -86.2 -60.1 54.3 -19.4 -3.1 41 41 A A H <>S+ 0 0 0 -4,-2.6 5,-1.8 -5,-0.2 -3,-0.2 0.910 135.4 12.9 -61.5 -48.0 52.2 -20.1 0.0 42 42 A F T <>S+ 0 0 21 -4,-1.7 5,-0.8 -5,-0.3 -3,-0.2 0.885 127.3 46.4-100.8 -48.7 48.9 -18.6 -1.1 43 43 A D T 4< S+ 0 0 134 -4,-0.8 3,-1.9 -3,-0.3 -1,-0.2 0.944 116.6 44.6 -80.6 -51.8 39.0 -30.1 -3.9 54 54 A V H >< S+ 0 0 27 -4,-2.7 3,-1.3 1,-0.3 4,-0.4 0.815 106.7 63.2 -64.4 -28.6 36.2 -27.6 -4.8 55 55 A E T 3< S+ 0 0 12 -4,-2.8 -1,-0.3 -5,-0.3 7,-0.2 0.552 103.3 49.8 -70.2 -10.3 36.5 -28.7 -8.5 56 56 A S T < S+ 0 0 78 -3,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.311 82.6 90.2-112.2 4.8 35.4 -32.2 -7.4 57 57 A L S < S- 0 0 108 -3,-1.3 2,-0.3 -4,-0.2 -2,-0.1 0.789 107.2 -24.7 -71.3 -28.8 32.4 -31.2 -5.4 58 58 A S > - 0 0 65 -4,-0.4 4,-0.8 1,-0.1 -1,-0.1 -0.927 64.3 -98.2-163.1-173.2 30.3 -31.5 -8.6 59 59 A A H > S+ 0 0 81 -2,-0.3 4,-2.0 2,-0.2 5,-0.2 0.874 119.8 50.1 -85.8 -44.1 30.3 -31.4 -12.4 60 60 A Y H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.816 108.7 55.9 -63.2 -31.1 29.2 -27.8 -12.8 61 61 A A H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.898 108.4 45.9 -65.3 -42.9 31.9 -26.9 -10.3 62 62 A R H X S+ 0 0 133 -4,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.826 113.8 50.0 -69.6 -32.2 34.5 -28.5 -12.4 63 63 A Q H < S+ 0 0 129 -4,-2.0 4,-0.4 2,-0.2 -2,-0.2 0.872 115.2 42.5 -71.8 -38.2 33.1 -26.8 -15.5 64 64 A F H < S+ 0 0 61 -4,-2.1 4,-0.2 -5,-0.2 -2,-0.2 0.846 122.6 37.8 -77.8 -36.4 33.0 -23.4 -13.8 65 65 A L H >< S+ 0 0 11 -4,-2.4 3,-1.2 1,-0.2 -3,-0.2 0.877 110.3 56.9 -84.5 -41.8 36.5 -23.7 -12.2 66 66 A G T 3< S+ 0 0 29 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.1 0.624 102.4 57.3 -67.5 -13.5 38.4 -25.5 -14.9 67 67 A Q T 3 S+ 0 0 170 -4,-0.4 -1,-0.2 -5,-0.1 -2,-0.1 0.594 98.0 71.8 -94.4 -12.8 37.6 -22.8 -17.5 68 68 A M S < S- 0 0 45 -3,-1.2 2,-0.6 -4,-0.2 -3,-0.1 0.241 102.6 -61.7 -81.1-151.6 39.2 -19.9 -15.4 69 69 A E - 0 0 162 3,-0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.889 47.9-159.1-108.1 114.7 42.8 -19.2 -14.7 70 70 A K - 0 0 95 -2,-0.6 -22,-0.0 1,-0.2 -4,-0.0 -0.530 36.8 -80.0 -86.8 155.0 44.8 -21.9 -12.8 71 71 A P - 0 0 32 0, 0.0 2,-1.9 0, 0.0 -1,-0.2 -0.081 45.7-105.2 -53.6 153.3 48.1 -21.1 -10.9 72 72 A D S S+ 0 0 85 -29,-0.2 -62,-2.0 -3,-0.1 2,-0.4 -0.538 74.9 125.7 -85.0 74.6 51.3 -20.9 -13.0 73 73 A V E -B 9 0A 23 -2,-1.9 -64,-0.2 1,-0.2 -65,-0.2 -0.990 56.6-146.1-135.5 141.8 52.8 -24.2 -11.9 74 74 A D E S- 0 0 113 -67,-1.0 2,-0.3 -66,-0.6 -1,-0.2 0.994 80.1 -32.0 -58.2 -81.5 54.1 -27.3 -13.7 75 75 A A E -B 7 0A 40 -68,-0.9 -68,-2.7 2,-0.0 -1,-0.3 -0.977 49.8-166.6-142.4 154.0 53.0 -29.9 -11.2 76 76 A I E -B 6 0A 1 -2,-0.3 3,-0.4 -70,-0.2 2,-0.2 -0.776 18.8-174.7-146.2 95.9 52.6 -30.0 -7.4 77 77 A E E +B 5 0A 132 -72,-1.3 -72,-2.4 -2,-0.3 -2,-0.0 -0.644 58.8 44.8-102.8 150.8 52.2 -33.5 -6.0 78 78 A G S S+ 0 0 24 -2,-0.2 -1,-0.2 -74,-0.2 -72,-0.1 0.619 79.3 163.4 93.7 18.5 51.4 -34.6 -2.4 79 79 A L - 0 0 33 -3,-0.4 -1,-0.2 -74,-0.1 -2,-0.0 -0.142 22.6-163.0 -66.7 160.8 48.7 -32.0 -2.1 80 80 A S - 0 0 8 424,-0.1 423,-0.1 455,-0.0 -27,-0.1 -0.950 41.5 -77.4-136.6 157.9 46.0 -31.9 0.5 81 81 A P - 0 0 59 0, 0.0 423,-2.2 0, 0.0 2,-0.3 -0.377 60.7-135.8 -53.5 131.9 42.7 -30.0 0.7 82 82 A A E -e 504 0B 13 -33,-0.5 2,-0.4 -36,-0.2 423,-0.2 -0.762 26.0-175.8-110.6 141.7 43.7 -26.5 1.6 83 83 A I E -e 505 0B 39 421,-1.6 423,-1.8 -2,-0.3 2,-0.3 -0.977 15.7-149.9-134.6 120.5 42.3 -23.9 4.1 84 84 A S E -e 506 0B 8 -2,-0.4 2,-0.5 421,-0.2 423,-0.2 -0.688 5.5-162.6 -94.9 139.6 43.7 -20.4 4.4 85 85 A I E +e 507 0B 1 421,-1.9 423,-1.7 -2,-0.3 2,-0.2 -0.874 42.9 110.6-121.6 97.5 43.8 -18.3 7.5 86 86 A D S S- 0 0 13 -2,-0.5 3,-0.3 421,-0.2 405,-0.1 -0.713 80.2 -87.9-143.2-165.3 44.3 -14.7 6.8 87 87 A Q S > S+ 0 0 41 -2,-0.2 3,-1.0 1,-0.2 398,-0.0 0.602 112.8 74.5 -87.0 -13.6 42.6 -11.3 6.9 88 88 A K T 3 S+ 0 0 121 1,-0.2 -1,-0.2 3,-0.0 -3,-0.0 0.753 99.6 41.8 -72.0 -25.0 41.3 -11.8 3.3 89 89 A T T 3 S+ 0 0 54 -3,-0.3 2,-0.4 2,-0.1 -1,-0.2 -0.039 88.2 109.1-116.2 30.2 38.7 -14.4 4.4 90 90 A T S < S- 0 0 17 -3,-1.0 2,-0.4 -5,-0.0 398,-0.1 -0.898 72.5-110.4-108.2 138.3 37.3 -12.7 7.6 91 91 A S + 0 0 50 -2,-0.4 -2,-0.1 1,-0.1 10,-0.1 -0.492 40.0 163.2 -73.0 121.6 33.8 -11.2 7.7 92 92 A R + 0 0 148 -2,-0.4 -1,-0.1 388,-0.1 388,-0.1 0.165 44.7 115.8-115.0 12.1 33.7 -7.4 8.0 93 93 A N > - 0 0 103 1,-0.1 3,-0.9 386,-0.1 386,-0.2 -0.741 70.0-106.3 -92.8 130.0 30.0 -7.4 6.9 94 94 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.212 96.7 43.7 -51.0 167.7 27.3 -6.2 9.4 95 95 A R T 3 S+ 0 0 95 1,-0.3 2,-0.3 185,-0.1 172,-0.1 0.120 91.7 110.6 75.7 -16.8 24.8 -8.3 11.4 96 96 A S < - 0 0 22 -3,-0.9 383,-2.9 4,-0.1 384,-0.4 -0.650 48.5-171.1 -89.6 143.7 27.7 -10.7 12.1 97 97 A T B > -H 478 0C 6 -2,-0.3 4,-2.4 381,-0.3 381,-0.2 -0.741 39.9-104.6-124.3 173.8 29.2 -11.1 15.6 98 98 A V H > S+ 0 0 1 379,-1.8 4,-2.4 376,-0.2 6,-0.3 0.886 123.3 53.7 -63.2 -39.8 32.1 -12.8 17.3 99 99 A G H 4 S+ 0 0 0 376,-2.3 6,-2.8 378,-0.2 7,-0.5 0.835 111.5 45.1 -62.5 -34.0 29.7 -15.4 18.5 100 100 A T H >4 S+ 0 0 31 375,-0.3 3,-0.7 4,-0.2 -2,-0.2 0.894 114.4 45.9 -79.3 -41.4 28.4 -16.1 15.0 101 101 A V H 3< S+ 0 0 50 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.908 113.7 47.9 -68.5 -43.2 31.8 -16.2 13.3 102 102 A T T 3< S- 0 0 2 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.423 107.8-128.8 -78.0 0.7 33.4 -18.5 15.9 103 103 A E S <> S+ 0 0 79 -3,-0.7 4,-1.3 -5,-0.1 3,-0.3 0.381 79.4 116.4 69.1 -2.8 30.2 -20.6 15.6 104 104 A I H > + 0 0 0 -6,-0.3 4,-1.9 1,-0.2 -4,-0.2 0.876 65.1 58.5 -63.2 -42.0 29.9 -20.4 19.4 105 105 A Y H > S+ 0 0 11 -6,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.848 101.8 54.7 -61.4 -36.2 26.6 -18.6 19.4 106 106 A D H > S+ 0 0 59 -7,-0.5 4,-2.4 -3,-0.3 -1,-0.2 0.920 107.5 50.1 -62.4 -44.2 24.9 -21.4 17.4 107 107 A Y H X S+ 0 0 53 -4,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.847 107.8 54.8 -60.3 -35.4 26.0 -23.8 20.1 108 108 A L H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.915 106.7 50.1 -63.4 -42.3 24.5 -21.4 22.6 109 109 A R H X S+ 0 0 45 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.922 110.5 50.0 -60.7 -45.2 21.2 -21.6 20.7 110 110 A L H X S+ 0 0 51 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.913 110.6 50.2 -57.5 -46.0 21.4 -25.4 20.8 111 111 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 5,-0.5 0.924 111.5 46.7 -60.0 -48.4 22.1 -25.3 24.5 112 112 A F H X S+ 0 0 1 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.771 112.5 52.7 -66.3 -26.2 19.2 -23.0 25.3 113 113 A A H < S+ 0 0 7 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.923 114.4 40.1 -73.5 -45.5 17.0 -25.2 23.1 114 114 A R H < S+ 0 0 145 -4,-2.5 -2,-0.2 1,-0.1 -3,-0.1 0.979 135.3 8.7 -69.2 -59.8 17.8 -28.4 24.9 115 115 A I H < S+ 0 0 12 -4,-2.1 -3,-0.2 -5,-0.2 2,-0.2 0.343 89.6 131.6-111.8 4.6 17.9 -27.6 28.6 116 116 A G < - 0 0 9 -4,-0.5 302,-0.2 -5,-0.5 144,-0.1 -0.391 48.6-143.5 -67.8 131.6 16.6 -24.1 28.7 117 117 A R E -I 417 0D 80 300,-1.8 300,-1.5 -2,-0.2 2,-0.3 -0.844 15.6-147.2 -97.9 105.3 13.9 -23.4 31.2 118 118 A P E -I 416 0D 8 0, 0.0 9,-1.1 0, 0.0 2,-0.3 -0.549 17.8-167.0 -75.9 135.5 11.3 -20.9 29.8 119 119 A I B -K 126 0E 36 296,-1.1 7,-0.2 7,-0.3 131,-0.1 -0.903 25.9-106.4-124.3 152.2 9.7 -18.5 32.3 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-12,-0.1 -0.318 40.1 166.6-144.7 51.4 2.8 30.7 9.9 367 370 A I - 0 0 42 -16,-0.4 -16,-2.7 -14,-0.1 2,-0.9 -0.212 43.2-125.1 -76.9 159.1 4.3 27.4 10.7 368 371 A A - 0 0 63 -18,-0.2 -21,-0.1 -21,-0.0 -19,-0.1 -0.820 43.3-126.9 -99.4 89.3 4.3 25.3 13.9 369 372 A F - 0 0 9 -2,-0.9 -23,-1.2 -20,-0.4 -22,-0.6 0.043 22.3-164.9 -43.7 136.4 8.0 24.9 14.2 370 373 A E - 0 0 66 1,-0.3 2,-0.2 -25,-0.2 -1,-0.1 0.748 35.3-117.2 -98.7 -29.9 9.2 21.3 14.6 371 374 A G - 0 0 0 1,-0.1 -1,-0.3 2,-0.1 -28,-0.2 -0.560 25.7 -81.6 114.4 177.9 12.8 21.6 15.9 372 375 A V S > S+ 0 0 0 -30,-0.8 4,-1.5 -29,-0.3 -29,-0.2 0.827 121.8 45.1 -90.3 -36.7 16.3 20.7 14.6 373 376 A I H > S+ 0 0 21 -30,-1.8 4,-2.6 2,-0.2 5,-0.2 0.943 113.0 46.2 -74.4 -51.8 16.3 17.1 15.7 374 377 A P H > S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.784 109.3 61.7 -63.1 -22.7 12.8 16.0 14.5 375 378 A N H > S+ 0 0 4 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.967 107.0 41.6 -58.9 -56.5 13.8 17.8 11.3 376 379 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.933 116.7 48.0 -58.6 -49.7 16.7 15.5 10.8 377 380 A E H X S+ 0 0 58 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.930 115.4 45.6 -58.8 -45.9 14.7 12.4 11.7 378 381 A R H X S+ 0 0 83 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 0.942 114.6 44.9 -62.7 -52.8 11.8 13.4 9.5 379 382 A R H X S+ 0 0 58 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.835 115.9 48.5 -64.2 -34.2 13.8 14.3 6.4 380 383 A Y H < S+ 0 0 42 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.878 114.8 45.4 -69.8 -38.8 15.9 11.2 6.8 381 384 A R H < S+ 0 0 150 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.888 112.3 48.2 -73.8 -40.7 12.8 9.0 7.2 382 385 A E H < S+ 0 0 124 -4,-2.7 2,-0.3 -5,-0.2 -1,-0.2 0.806 92.7 83.7 -75.7 -31.8 10.7 10.4 4.4 383 386 A T < - 0 0 46 -4,-1.1 6,-0.0 -5,-0.2 0, 0.0 -0.563 56.5-160.9 -82.3 134.2 13.2 10.4 1.5 384 387 A S + 0 0 107 -2,-0.3 2,-0.4 4,-0.0 -1,-0.1 -0.251 56.1 114.1-102.4 43.4 13.8 7.2 -0.6 385 388 A S > - 0 0 44 1,-0.1 4,-2.1 2,-0.0 5,-0.2 -0.958 61.9-147.3-119.0 131.6 17.1 8.4 -1.9 386 389 A D H > S+ 0 0 114 -2,-0.4 4,-0.6 1,-0.2 -1,-0.1 0.573 101.9 51.8 -71.6 -7.8 20.5 6.8 -1.1 387 390 A Y H > S+ 0 0 145 2,-0.1 4,-1.3 3,-0.1 -1,-0.2 0.908 110.5 41.4 -89.0 -56.6 22.0 10.3 -1.4 388 391 A I H >> S+ 0 0 50 2,-0.2 4,-1.6 1,-0.2 3,-0.6 0.930 115.0 53.7 -56.9 -50.4 19.7 12.3 0.9 389 392 A R H >X S+ 0 0 77 -4,-2.1 4,-2.2 1,-0.2 3,-1.2 0.949 108.4 48.3 -45.3 -59.3 19.7 9.5 3.4 390 393 A E H 3< S+ 0 0 119 -4,-0.6 4,-0.5 1,-0.3 -1,-0.2 0.721 109.1 55.1 -60.9 -22.5 23.5 9.4 3.5 391 394 A Q H << S+ 0 0 96 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.763 115.0 38.2 -79.3 -26.8 23.6 13.2 3.9 392 395 A M H X< S+ 0 0 8 -4,-1.6 3,-1.1 -3,-1.2 -2,-0.2 0.685 104.5 67.1 -95.0 -20.0 21.3 13.0 7.0 393 396 A E G >< S+ 0 0 70 -4,-2.2 3,-1.9 1,-0.3 -3,-0.1 0.713 84.7 74.8 -72.5 -21.4 22.9 9.8 8.5 394 397 A K G 3 S+ 0 0 155 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.747 98.3 45.7 -61.8 -25.0 26.1 11.7 9.1 395 398 A Y G < S+ 0 0 51 -3,-1.1 -108,-1.1 -4,-0.1 -1,-0.3 0.173 106.4 80.9-103.7 15.2 24.3 13.4 12.0 396 399 A M E < -U 286 0K 12 -3,-1.9 2,-0.3 -110,-0.3 -110,-0.3 -0.805 56.1-167.1-120.0 161.2 22.9 10.1 13.3 397 400 A A E -U 285 0K 25 -112,-2.7 -112,-1.6 -2,-0.3 2,-0.4 -0.926 30.7 -94.7-140.7 165.8 24.2 7.3 15.4 398 401 A E - 0 0 136 -2,-0.3 -114,-0.2 -114,-0.2 -116,-0.0 -0.708 38.0-175.6 -85.8 130.2 23.3 3.7 16.4 399 402 A Q - 0 0 89 -2,-0.4 -116,-2.5 -116,-0.4 7,-0.1 -0.996 34.1 -97.4-130.4 130.1 21.4 3.3 19.6 400 403 A P B -T 282 0J 84 0, 0.0 -118,-0.2 0, 0.0 5,-0.1 -0.028 46.8 -96.9 -47.3 135.9 20.4 -0.1 21.2 401 404 A C >> - 0 0 0 -120,-1.5 4,-1.0 1,-0.2 5,-0.9 -0.412 30.1-150.6 -58.6 116.9 16.8 -1.3 20.5 402 405 A P T 45S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -120,-0.0 0.783 91.5 53.0 -64.4 -29.7 14.8 -0.2 23.6 403 406 A T T 45S+ 0 0 47 1,-0.2 -2,-0.0 -127,-0.1 -126,-0.0 0.940 120.6 27.5 -70.3 -50.8 12.4 -3.1 23.2 404 407 A C T >45S- 0 0 0 -130,-0.0 3,-2.0 4,-0.0 5,-0.3 0.345 102.9-120.5 -97.4 5.0 14.9 -6.0 23.0 405 408 A Q T 3<5S- 0 0 142 -4,-1.0 -2,-0.1 1,-0.3 -4,-0.0 0.661 71.5 -63.3 60.6 18.1 17.6 -4.2 25.1 406 409 A G T 3 - 0 0 47 -138,-1.8 4,-1.7 -146,-0.3 -1,-0.2 -0.175 36.5-115.6 -59.3 157.4 12.0 -11.8 21.0 411 414 A K T 4 S+ 0 0 135 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.803 121.5 48.9 -64.7 -29.5 10.9 -11.0 24.6 412 415 A E T 4 S+ 0 0 53 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.685 105.5 57.5 -82.8 -20.6 9.8 -14.6 24.9 413 416 A S T >4 S+ 0 0 0 1,-0.2 3,-0.8 2,-0.2 10,-0.3 0.850 107.1 48.0 -73.3 -35.3 13.2 -15.7 23.5 414 417 A L T 3< S+ 0 0 28 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.554 95.6 76.4 -79.8 -9.1 14.8 -13.8 26.3 415 418 A A T 3 S+ 0 0 10 -4,-0.2 -296,-1.1 -5,-0.1 2,-0.5 0.760 78.8 85.2 -70.3 -25.8 12.4 -15.5 28.7 416 419 A V E < +I 118 0D 0 -3,-0.8 7,-0.7 -4,-0.4 2,-0.3 -0.681 60.6 173.8 -82.8 123.3 14.5 -18.7 28.4 417 420 A L E -IJ 117 422D 38 -300,-1.5 -300,-1.8 -2,-0.5 5,-0.3 -0.932 21.9-170.6-128.2 154.2 17.4 -18.8 30.8 418 421 A V S S+ 0 0 19 3,-2.5 2,-0.2 -2,-0.3 -1,-0.2 0.797 86.7 15.8-103.4 -75.6 19.9 -21.4 31.7 419 422 A G S S- 0 0 33 2,-0.4 3,-0.1 1,-0.1 23,-0.0 -0.164 128.6 -72.2 -94.8 40.7 22.1 -20.5 34.8 420 423 A G S S+ 0 0 49 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.304 119.8 97.1 82.8 -8.2 19.7 -17.8 35.8 421 424 A K - 0 0 75 2,-0.0 -3,-2.5 4,-0.0 -2,-0.4 -0.889 69.0-135.4-112.1 143.8 21.0 -15.9 32.8 422 425 A H B > -J 417 0D 24 -2,-0.4 4,-2.0 -5,-0.3 3,-0.3 -0.371 35.1 -90.6 -91.4 176.9 19.4 -15.7 29.4 423 426 A I H > S+ 0 0 0 -7,-0.7 4,-2.1 -10,-0.3 5,-0.1 0.854 123.0 49.2 -56.9 -43.5 21.0 -16.0 26.0 424 427 A G H > S+ 0 0 6 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 109.2 51.7 -66.1 -39.2 21.8 -12.3 25.5 425 428 A E H > S+ 0 0 71 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.899 111.9 46.9 -64.7 -41.6 23.4 -11.9 28.9 426 429 A V H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 49,-0.2 0.886 112.3 51.0 -65.1 -39.1 25.7 -14.9 28.2 427 430 A T H 3< S+ 0 0 14 -4,-2.1 49,-1.0 1,-0.2 48,-0.8 0.854 105.7 56.6 -65.7 -34.5 26.4 -13.4 24.8 428 431 A A H 3< S+ 0 0 42 -4,-2.1 -1,-0.2 47,-0.2 -2,-0.2 0.600 89.2 95.4 -76.7 -12.6 27.3 -10.0 26.4 429 432 A M S << S- 0 0 23 -3,-0.8 46,-1.4 -4,-0.6 47,-0.3 -0.259 80.7-109.3 -72.2 165.2 30.0 -11.5 28.7 430 433 A S B > -X 474 0N 10 44,-0.2 4,-3.0 45,-0.1 5,-0.2 -0.437 35.1-101.2 -84.5 170.3 33.6 -11.6 27.8 431 434 A V H > S+ 0 0 0 42,-1.2 4,-2.4 39,-0.3 5,-0.2 0.903 126.5 47.3 -60.4 -41.1 35.4 -14.8 26.9 432 435 A T H > S+ 0 0 56 39,-1.4 4,-2.7 2,-0.2 5,-0.2 0.955 113.0 47.9 -61.6 -52.0 36.8 -14.9 30.4 433 436 A E H > S+ 0 0 100 38,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.885 115.3 45.1 -56.7 -43.0 33.5 -14.1 32.0 434 437 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.874 111.3 51.9 -70.6 -40.1 31.7 -16.8 30.0 435 438 A L H X S+ 0 0 30 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.940 112.8 45.9 -61.3 -46.6 34.4 -19.4 30.5 436 439 A A H X S+ 0 0 64 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.880 110.2 55.6 -61.8 -40.1 34.1 -18.8 34.2 437 440 A F H X S+ 0 0 30 -4,-1.9 4,-0.9 -5,-0.2 -2,-0.2 0.894 109.9 44.0 -59.1 -44.7 30.3 -18.9 34.0 438 441 A F H < S+ 0 0 11 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.718 112.0 54.3 -77.7 -20.8 30.3 -22.3 32.4 439 442 A D H < S+ 0 0 123 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.908 117.5 35.5 -72.1 -42.9 32.9 -23.5 34.9 440 443 A G H < S+ 0 0 60 -4,-2.5 -2,-0.2 -5,-0.1 2,-0.2 0.474 88.6 121.3 -91.7 -4.0 30.7 -22.5 37.8 441 444 A L < - 0 0 26 -4,-0.9 2,-0.5 -5,-0.2 -3,-0.0 -0.426 50.1-154.5 -62.8 128.1 27.4 -23.3 36.1 442 445 A E + 0 0 183 -2,-0.2 2,-0.2 -23,-0.0 -2,-0.1 -0.927 20.8 166.0-113.7 126.2 25.5 -25.9 38.2 443 446 A L - 0 0 52 -2,-0.5 2,-0.1 1,-0.2 3,-0.0 -0.545 31.3-100.1-125.4-173.2 23.0 -28.2 36.6 444 447 A T > - 0 0 65 -2,-0.2 4,-1.2 1,-0.1 -1,-0.2 -0.232 40.4 -96.6 -97.8-168.8 21.0 -31.4 37.3 445 448 A E H > S+ 0 0 165 2,-0.2 4,-2.2 3,-0.1 5,-0.2 0.975 122.0 39.8 -72.5 -60.0 21.6 -34.9 36.2 446 449 A K H > S+ 0 0 152 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.890 116.1 51.3 -57.2 -46.5 19.3 -34.9 33.1 447 450 A E H > S+ 0 0 26 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.934 113.6 43.1 -58.1 -50.4 20.3 -31.4 32.1 448 451 A A H < S+ 0 0 35 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.819 113.7 52.6 -67.6 -32.0 24.1 -32.1 32.2 449 452 A Q H < S+ 0 0 119 -4,-2.2 3,-0.4 1,-0.2 4,-0.2 0.817 111.5 45.9 -74.2 -30.9 23.6 -35.5 30.5 450 453 A I H < S+ 0 0 82 -4,-2.0 -2,-0.2 -5,-0.2 3,-0.2 0.848 121.6 36.6 -76.4 -34.3 21.6 -33.9 27.6 451 454 A A S X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.043 80.2 107.9-113.4 24.3 24.1 -31.0 27.1 452 455 A R H > S+ 0 0 151 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.960 84.0 45.4 -65.2 -50.4 27.4 -32.7 27.7 453 456 A L H > S+ 0 0 114 -4,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.817 117.0 46.2 -63.8 -33.8 28.5 -32.7 24.1 454 457 A I H > S+ 0 0 19 2,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.942 112.6 48.5 -72.4 -51.6 27.3 -29.1 23.6 455 458 A L H X S+ 0 0 17 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.877 109.9 52.3 -57.2 -42.8 28.9 -27.7 26.9 456 459 A R H X S+ 0 0 143 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.893 110.6 48.5 -61.6 -39.3 32.3 -29.4 26.1 457 460 A E H X S+ 0 0 32 -4,-1.1 4,-2.6 -5,-0.2 -2,-0.2 0.930 112.4 47.6 -67.4 -46.2 32.3 -27.7 22.6 458 461 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.953 113.8 47.3 -56.6 -53.4 31.4 -24.3 24.0 459 462 A R H X S+ 0 0 97 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.897 113.0 49.7 -54.9 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46.2 -6.9 23.3 637 640 A G T 3 S+ 0 0 15 -2,-0.3 265,-0.5 264,-0.2 -1,-0.2 0.182 83.1 109.6 112.1 -12.8 43.0 -5.8 25.0 638 641 A S S < S- 0 0 0 -3,-1.9 260,-0.3 263,-0.2 268,-0.2 0.685 94.1-109.8 -67.7 -17.9 44.7 -3.1 27.1 639 642 A G > + 0 0 7 -4,-0.2 4,-2.2 258,-0.1 5,-0.2 0.832 68.1 146.5 92.7 37.4 42.9 -0.5 24.9 640 643 A K H > S+ 0 0 10 -5,-0.3 4,-2.5 2,-0.2 5,-0.4 0.884 77.8 51.0 -68.3 -40.0 45.8 0.9 22.9 641 644 A S H >>S+ 0 0 67 1,-0.2 4,-2.0 2,-0.2 5,-1.9 0.909 110.2 51.3 -60.7 -43.9 43.5 1.4 19.9 642 645 A T H 4>S+ 0 0 16 3,-0.2 5,-1.2 2,-0.2 6,-0.2 0.922 116.0 38.0 -61.3 -50.7 41.0 3.2 22.2 643 646 A L H X>S+ 0 0 10 -4,-2.2 5,-2.6 3,-0.2 4,-0.5 0.981 124.4 36.8 -66.5 -57.9 43.5 5.6 23.7 644 647 A V H <>S+ 0 0 2 -4,-2.5 5,-1.7 3,-0.2 -3,-0.2 0.902 135.6 14.1 -67.4 -45.3 45.6 6.4 20.6 645 648 A N T <>S+ 0 0 39 -4,-2.0 5,-1.1 -5,-0.4 -3,-0.2 0.900 127.0 45.1 -99.4 -52.1 42.9 6.3 17.9 646 649 A E T 4 + 0 0 6 -64,-0.2 3,-1.5 -2,-0.2 -1,-0.2 0.701 63.0 139.8 78.5 22.0 49.4 21.0 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89.6 48.5 6.7 8.5 682 685 A D - 0 0 68 -2,-1.6 150,-0.2 167,-0.1 -1,-0.0 0.010 21.3-140.2 -62.6 164.9 45.8 4.1 8.6 683 686 A Q + 0 0 35 145,-0.1 146,-0.3 146,-0.1 145,-0.2 0.347 69.1 113.2-107.3 1.1 46.2 0.4 7.8 684 687 A S S S- 0 0 50 1,-0.1 0, 0.0 144,-0.1 0, 0.0 -0.347 81.0 -81.6 -64.3 154.3 42.9 0.3 5.9 685 688 A P - 0 0 86 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.009 29.7-125.8 -58.7 166.5 43.1 -0.3 2.2 686 689 A I S S- 0 0 26 134,-0.4 2,-0.3 1,-0.2 7,-0.1 0.953 84.8 -0.4 -78.1 -56.3 43.9 2.4 -0.4 687 690 A G - 0 0 13 5,-0.2 -1,-0.2 2,-0.1 10,-0.0 -0.862 52.0-141.6-132.8 167.0 41.0 2.0 -2.7 688 691 A R S S+ 0 0 234 -2,-0.3 -1,-0.0 -3,-0.1 -2,-0.0 0.398 86.6 55.4-110.4 -0.2 38.0 -0.3 -2.9 689 692 A T S > S- 0 0 66 1,-0.0 3,-1.4 4,-0.0 131,-0.5 -0.862 89.5-113.3-125.1 161.1 38.1 -0.6 -6.7 690 693 A P T 3 S+ 0 0 11 0, 0.0 132,-0.0 0, 0.0 -1,-0.0 0.567 107.7 81.6 -68.8 -4.8 40.8 -1.8 -9.1 691 694 A R T 3 S+ 0 0 48 128,-0.1 2,-0.3 36,-0.0 35,-0.1 0.781 81.5 74.1 -69.3 -27.2 40.8 1.8 -10.3 692 695 A S < + 0 0 30 -3,-1.4 128,-2.8 4,-0.1 129,-0.3 -0.693 58.2 148.6 -92.2 141.3 43.0 2.8 -7.4 693 696 A N >> - 0 0 1 -2,-0.3 4,-3.1 126,-0.2 3,-1.0 -0.953 61.8 -83.8-158.9 164.6 46.7 1.9 -7.2 694 697 A P H 3> S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 6,-0.3 0.846 128.2 52.3 -38.1 -49.2 50.0 3.3 -5.8 695 698 A A H 3>>S+ 0 0 0 121,-1.7 6,-2.6 2,-0.2 4,-1.0 0.868 114.9 41.7 -60.2 -39.2 50.3 5.5 -8.9 696 699 A T H <45S+ 0 0 54 -3,-1.0 -1,-0.2 120,-0.4 6,-0.1 0.935 115.2 47.9 -74.1 -48.4 46.8 6.9 -8.4 697 700 A Y H <5S+ 0 0 92 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 115.6 45.0 -64.5 -35.5 47.0 7.3 -4.6 698 701 A T H <5S- 0 0 27 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.769 110.3-121.4 -78.0 -27.6 50.4 9.0 -4.7 699 702 A G T >X5S+ 0 0 23 -4,-1.0 4,-1.1 -5,-0.3 3,-0.7 0.417 80.4 119.3 99.5 1.0 49.3 11.3 -7.6 700 703 A V H 3>< + 0 0 0 -5,-0.6 4,-2.4 -6,-0.3 3,-0.3 0.891 68.5 59.6 -63.0 -41.8 52.1 10.1 -9.9 701 704 A F H 3> S+ 0 0 8 -6,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.721 98.5 60.5 -63.5 -21.4 49.6 8.8 -12.4 702 705 A D H X> S+ 0 0 72 -3,-0.7 3,-0.6 -7,-0.4 4,-0.5 0.940 111.6 36.8 -69.8 -47.7 48.2 12.3 -12.8 703 706 A D H >X S+ 0 0 36 -4,-1.1 4,-1.2 -3,-0.3 3,-1.0 0.834 108.7 65.8 -71.0 -33.0 51.6 13.7 -13.9 704 707 A I H 3X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.3 -1,-0.2 0.676 99.8 51.9 -67.6 -17.1 52.3 10.5 -15.9 705 708 A R H < S+ 0 0 1 -4,-0.6 3,-0.8 1,-0.2 6,-0.3 0.860 110.3 53.1 -71.9 -35.4 51.9 11.2 -22.7 709 712 A A H 3< S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.667 111.3 47.8 -70.8 -16.5 49.6 14.1 -23.5 710 713 A S T 3< S+ 0 0 69 -4,-0.5 -1,-0.2 -3,-0.2 -2,-0.2 0.381 87.6 109.7-107.9 0.1 52.7 16.1 -24.5 711 714 A T S <> S- 0 0 29 -3,-0.8 4,-1.9 -4,-0.3 3,-0.2 -0.359 81.4-106.1 -77.0 161.3 54.4 13.6 -26.7 712 715 A N H > S+ 0 0 132 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.883 116.3 46.8 -54.5 -49.7 54.6 14.0 -30.5 713 716 A E H > S+ 0 0 91 59,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.858 111.0 52.4 -65.3 -35.7 52.0 11.5 -31.5 714 717 A A H >>S+ 0 0 0 -6,-0.3 5,-1.3 2,-0.2 4,-0.9 0.855 106.6 53.9 -69.7 -34.3 49.4 12.7 -28.9 715 718 A K H <5S+ 0 0 144 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.925 113.4 41.6 -63.0 -45.1 49.8 16.3 -30.2 716 719 A V H <5S+ 0 0 109 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.566 121.1 44.0 -79.8 -10.0 49.0 15.1 -33.7 717 720 A R H <5S- 0 0 83 -4,-0.7 -2,-0.2 -5,-0.2 -1,-0.2 0.396 105.6-129.7-110.1 -2.0 46.3 12.8 -32.3 718 721 A G T <5 + 0 0 54 -4,-0.9 -3,-0.2 -3,-0.4 2,-0.2 0.635 50.5 156.3 64.2 15.0 44.9 15.5 -30.0 719 722 A Y < - 0 0 27 -5,-1.3 -1,-0.2 -6,-0.2 2,-0.2 -0.506 17.6-178.7 -68.2 140.2 45.0 13.1 -27.0 720 723 A K >> - 0 0 158 -2,-0.2 2,-1.5 -3,-0.1 4,-1.1 -0.538 49.9 -60.6-124.7-164.3 45.2 15.0 -23.7 721 724 A K T 34 S+ 0 0 99 1,-0.2 -15,-0.1 -2,-0.2 -16,-0.1 -0.040 132.7 50.3 -74.9 38.3 45.4 14.2 -20.0 722 725 A G T >4 S+ 0 0 23 -2,-1.5 3,-0.7 -17,-0.1 9,-0.4 0.422 94.9 63.2-142.9 -29.9 42.1 12.4 -20.4 723 726 A R T <4 S+ 0 0 49 -3,-1.0 -2,-0.2 1,-0.2 5,-0.1 0.851 112.4 41.5 -67.6 -33.7 42.6 10.1 -23.3 724 727 A F T 3< S+ 0 0 0 -4,-1.1 2,-0.3 -19,-0.1 -1,-0.2 0.291 92.1 123.1 -92.1 7.2 45.2 8.4 -21.3 725 728 A S X - 0 0 15 -3,-0.7 3,-1.4 -5,-0.2 6,-0.3 -0.573 61.6-140.4 -77.4 131.5 43.0 8.6 -18.2 726 729 A F T 3 S+ 0 0 3 -2,-0.3 -1,-0.1 1,-0.3 -4,-0.0 0.764 99.5 36.2 -58.7 -33.1 42.2 5.3 -16.5 727 730 A N T 3 S+ 0 0 83 5,-0.1 2,-0.5 -36,-0.0 -1,-0.3 0.053 96.3 101.1-114.6 22.2 38.6 6.1 -15.8 728 731 A V X> - 0 0 57 -3,-1.4 4,-1.4 -6,-0.2 3,-1.3 -0.952 67.4-139.5-119.2 125.1 37.7 8.1 -18.9 729 732 A K T 34 S+ 0 0 145 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.734 86.8 88.9 -50.6 -29.1 35.8 6.6 -21.8 730 733 A G T 34 S- 0 0 42 1,-0.2 -1,-0.3 -8,-0.2 -7,-0.2 0.776 114.8 -10.6 -41.6 -43.5 38.1 8.5 -24.3 731 734 A G T <4 S+ 0 0 0 -3,-1.3 34,-2.7 -9,-0.4 37,-0.3 0.509 102.1 110.1-139.5 -13.2 40.7 5.7 -24.5 732 735 A R B < S-F 764 0Q 30 -4,-1.4 2,-0.6 -7,-0.3 32,-0.3 -0.213 84.1 -79.9 -69.1 161.0 40.1 3.0 -21.9 733 736 A C >> - 0 0 4 30,-1.1 5,-1.4 1,-0.2 4,-1.0 -0.497 37.4-156.9 -63.9 109.4 38.8 -0.5 -22.8 734 737 A E T 45S+ 0 0 83 -2,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.689 88.5 61.2 -63.8 -19.3 35.1 -0.1 -23.2 735 738 A A T 45S+ 0 0 53 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.974 115.8 27.7 -70.5 -57.3 34.6 -3.7 -22.5 736 739 A C T >45S- 0 0 9 -3,-0.1 3,-1.3 20,-0.1 -2,-0.2 0.444 105.5-126.3 -83.4 -0.3 36.0 -3.7 -19.0 737 740 A H T 3<5S- 0 0 102 -4,-1.0 -3,-0.2 1,-0.3 -5,-0.1 0.804 72.2 -52.2 55.9 31.4 35.0 -0.1 -18.6 738 741 A G T 3 - 0 0 1 -16,-2.5 4,-1.4 1,-0.2 5,-0.5 -0.437 27.6-149.3 -60.1 121.5 39.5 -8.7 -19.5 757 760 A E T 4 S+ 0 0 131 -2,-0.3 -1,-0.2 1,-0.2 -16,-0.0 0.536 91.1 54.9 -74.9 -6.0 39.6 -10.8 -22.7 758 761 A V T 4 S+ 0 0 88 1,-0.1 -1,-0.2 -25,-0.0 -24,-0.1 0.826 122.7 21.6 -93.7 -41.3 39.3 -7.7 -24.9 759 762 A C T >4 S- 0 0 10 -19,-0.1 3,-2.0 -3,-0.1 5,-0.2 0.423 97.6-128.7-105.6 -1.0 42.2 -5.7 -23.7 760 763 A H T 3< S- 0 0 151 -4,-1.4 -3,-0.2 1,-0.3 -19,-0.1 0.717 72.1 -57.1 57.8 23.9 44.1 -8.6 -22.2 761 764 A G T 3 S+ 0 0 26 -5,-0.5 -1,-0.3 -21,-0.1 -4,-0.1 0.410 109.6 122.1 90.8 -0.7 44.3 -6.6 -19.0 762 765 A K < - 0 0 101 -3,-2.0 -2,-0.1 -6,-0.2 20,-0.1 0.646 65.8-143.0 -69.4 -16.1 46.1 -3.7 -20.6 763 766 A R S S+ 0 0 23 -23,-0.2 -30,-1.1 -7,-0.1 2,-0.3 0.339 70.2 74.6 72.6 -5.4 43.2 -1.5 -19.4 764 767 A Y B S-F 732 0Q 2 -32,-0.3 -32,-0.3 -5,-0.2 -2,-0.1 -0.933 84.3-102.3-132.2 159.2 43.2 0.7 -22.5 765 768 A N > - 0 0 47 -34,-2.7 4,-1.1 -2,-0.3 -32,-0.1 -0.099 42.7 -95.3 -71.6 177.0 42.0 0.2 -26.1 766 769 A R T 4 S+ 0 0 196 1,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.902 120.1 45.8 -61.4 -45.1 44.3 -0.6 -29.1 767 770 A E T >4 S+ 0 0 102 1,-0.2 3,-1.2 2,-0.2 4,-0.5 0.795 104.8 60.1 -75.7 -30.1 44.8 3.0 -30.3 768 771 A T G >4 S+ 0 0 0 -37,-0.3 3,-0.8 1,-0.3 10,-0.3 0.862 105.6 49.3 -65.2 -35.2 45.4 4.5 -27.0 769 772 A L G 3< S+ 0 0 45 -4,-1.1 -1,-0.3 -3,-0.2 -2,-0.2 0.273 90.2 81.0 -91.0 11.6 48.5 2.3 -26.5 770 773 A E G < S+ 0 0 96 -3,-1.2 2,-0.5 2,-0.1 -1,-0.2 0.731 73.0 90.0 -81.3 -26.4 49.8 3.2 -29.9 771 774 A V S < S- 0 0 0 -3,-0.8 7,-0.4 -4,-0.5 2,-0.3 -0.617 71.2-157.9 -72.7 122.0 51.2 6.4 -28.4 772 775 A T - 0 0 64 -2,-0.5 2,-0.4 5,-0.1 -59,-0.2 -0.753 22.2-166.0-112.7 149.9 54.7 5.7 -27.1 773 776 A Y B > S-H 776 0S 29 3,-2.5 3,-1.2 -2,-0.3 -65,-0.1 -0.926 82.6 -27.0-132.2 107.1 57.0 7.3 -24.6 774 777 A K T 3 S- 0 0 127 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.872 127.0 -47.5 54.1 40.9 60.7 6.2 -24.8 775 778 A G T 3 S+ 0 0 55 1,-0.2 2,-0.4 0, 0.0 -1,-0.2 0.479 124.6 90.1 86.0 3.3 59.7 2.8 -26.3 776 779 A K B < -H 773 0S 83 -3,-1.2 -3,-2.5 4,-0.0 -1,-0.2 -0.991 61.9-143.1-135.1 139.9 56.9 2.1 -23.8 777 780 A N > - 0 0 17 -2,-0.4 4,-2.8 -5,-0.2 5,-0.2 -0.351 37.8 -92.9 -93.1 179.7 53.2 2.8 -23.7 778 781 A I H > S+ 0 0 1 -7,-0.4 4,-1.7 -10,-0.3 5,-0.1 0.826 126.2 50.3 -64.6 -33.5 51.0 3.7 -20.8 779 782 A A H > S+ 0 0 10 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.873 113.4 47.7 -69.3 -36.0 49.9 0.1 -20.2 780 783 A E H 4 S+ 0 0 71 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.895 113.0 45.8 -72.3 -41.2 53.6 -0.8 -20.2 781 784 A V H < S+ 0 0 2 -4,-2.8 3,-0.4 1,-0.2 35,-0.3 0.797 109.5 55.5 -73.4 -27.3 54.6 2.0 -17.9 782 785 A L H < S+ 0 0 6 -4,-1.7 35,-2.0 -5,-0.2 -1,-0.2 0.725 107.4 51.8 -74.1 -20.0 51.7 1.2 -15.6 783 786 A D S < S+ 0 0 90 -4,-0.7 -1,-0.2 -3,-0.3 -2,-0.2 0.572 90.3 108.6 -89.2 -13.2 53.1 -2.4 -15.5 784 787 A M S S- 0 0 24 -4,-0.5 32,-1.9 -3,-0.4 33,-0.2 -0.251 74.9-109.4 -69.0 153.7 56.5 -1.1 -14.5 785 788 A T B > -I 815 0T 34 30,-0.2 4,-3.0 1,-0.1 30,-0.2 -0.523 25.4-117.2 -79.6 149.7 58.0 -1.6 -11.1 786 789 A V H > S+ 0 0 1 28,-1.6 4,-2.7 2,-0.2 5,-0.2 0.891 118.4 47.5 -54.0 -43.9 58.5 1.4 -8.9 787 790 A E H > S+ 0 0 61 25,-1.1 4,-2.0 2,-0.2 5,-0.2 0.978 115.8 42.9 -58.8 -59.4 62.2 0.9 -8.9 788 791 A D H > S+ 0 0 74 24,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.787 113.1 57.7 -56.6 -29.4 62.3 0.4 -12.7 789 792 A A H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 3,-0.2 0.951 107.5 42.4 -68.1 -52.0 59.9 3.4 -12.8 790 793 A L H < S+ 0 0 36 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.796 114.4 53.2 -66.9 -26.4 62.1 5.9 -11.0 791 794 A D H < S+ 0 0 125 -4,-2.0 3,-0.4 -5,-0.2 -1,-0.3 0.790 114.1 43.0 -73.1 -26.6 65.0 4.5 -13.1 792 795 A F H < S+ 0 0 40 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825 A T G < S+ 0 0 68 -3,-1.9 2,-0.4 2,-0.1 -1,-0.3 0.245 87.0 110.0-111.8 10.3 45.1 -6.7 -3.9 823 826 A L S < S- 0 0 17 -3,-1.4 -137,-0.1 1,-0.1 -3,-0.0 -0.710 70.3-117.4 -92.8 137.1 47.4 -4.9 -1.6 824 827 A S > - 0 0 31 -2,-0.4 4,-2.9 1,-0.1 5,-0.2 -0.306 28.6-113.4 -62.8 152.7 48.3 -6.2 1.9 825 828 A G H > S+ 0 0 20 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 120.4 46.6 -55.7 -45.7 47.2 -4.0 4.8 826 829 A G H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 110.5 53.5 -62.7 -40.7 50.9 -3.2 5.6 827 830 A E H > S+ 0 0 32 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.928 110.6 46.7 -60.6 -46.3 51.5 -2.5 2.0 828 831 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 2,-0.2 3,-0.3 0.941 111.0 50.8 -58.1 -52.5 48.6 -0.0 1.9 829 832 A Q H X S+ 0 0 2 -4,-2.7 4,-2.2 -146,-0.3 -1,-0.2 0.884 111.4 50.4 -52.7 -40.3 49.7 1.6 5.1 830 833 A R H X S+ 0 0 2 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.812 105.1 54.4 -71.5 -31.6 53.1 2.0 3.6 831 834 A V H X S+ 0 0 0 -4,-1.8 4,-1.2 -3,-0.3 -1,-0.2 0.845 110.5 48.1 -70.4 -32.3 51.8 3.5 0.4 832 835 A K H X S+ 0 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33,-0.0 33,-0.1 0.317 50.7-112.0 -92.0 6.3 57.5 22.8 10.0 843 846 A G S S+ 0 0 10 31,-0.1 -2,-0.1 1,-0.1 32,-0.1 0.545 97.4 97.9 76.0 8.0 58.3 20.6 12.9 844 847 A R + 0 0 88 32,-0.1 -168,-3.7 -169,-0.1 -167,-1.0 -0.275 55.8 96.7-124.6 48.2 54.7 20.9 14.2 845 848 A T E -c 677 0P 3 -170,-0.2 32,-2.1 -169,-0.2 2,-0.5 -0.991 55.7-144.7-136.6 146.9 52.9 17.8 13.0 846 849 A L E -cd 678 877P 0 -169,-2.3 -167,-2.0 -2,-0.3 2,-0.3 -0.938 9.3-158.4-117.9 124.0 52.1 14.5 14.6 847 850 A Y E -cd 679 878P 14 30,-3.1 32,-3.0 -2,-0.5 2,-0.4 -0.747 2.0-162.7 -97.5 145.2 52.1 11.1 12.8 848 851 A I E -cd 680 879P 1 -169,-2.4 -167,-1.5 -2,-0.3 2,-0.5 -0.957 8.3-177.1-131.3 114.7 50.2 8.1 14.0 849 852 A L E -cd 681 880P 2 30,-2.6 32,-2.0 -2,-0.4 2,-0.8 -0.941 17.3-147.2-115.9 126.0 51.0 4.6 12.7 850 853 A D E S- d 0 881P 44 -169,-0.7 32,-0.1 -2,-0.5 -21,-0.1 -0.826 75.7 -37.9 -94.2 111.0 49.2 1.4 13.7 851 854 A E > + 0 0 31 30,-2.1 3,-1.2 -2,-0.8 -1,-0.2 0.884 66.6 179.2 40.0 63.9 51.6 -1.5 13.6 852 855 A P T 3 S+ 0 0 12 0, 0.0 -1,-0.1 0, 0.0 30,-0.1 0.550 72.4 75.0 -70.2 -5.1 53.6 -0.5 10.5 853 856 A T T > + 0 0 12 2,-0.1 3,-1.2 3,-0.0 -2,-0.1 0.869 65.3 119.4 -68.2 -39.0 55.7 -3.6 11.1 854 857 A T T < S+ 0 0 6 -3,-1.2 3,-0.1 1,-0.3 -345,-0.0 0.050 84.0 8.8 -40.0 115.0 52.9 -5.9 9.8 855 858 A G T 3 S+ 0 0 16 1,-0.3 2,-0.4 -29,-0.1 -1,-0.3 0.725 104.8 117.8 86.4 24.0 54.2 -7.8 6.8 856 859 A L < - 0 0 4 -3,-1.2 -1,-0.3 -823,-0.1 2,-0.1 -0.950 59.3-129.8-127.0 144.6 57.8 -6.8 7.1 857 860 A H >> - 0 0 3 -2,-0.4 4,-2.2 1,-0.1 3,-0.6 -0.448 35.2-108.9 -78.7 160.2 61.1 -8.6 7.7 858 861 A V H 3> S+ 0 0 18 1,-0.3 4,-1.8 -317,-0.2 -1,-0.1 0.905 122.3 57.0 -57.0 -41.3 63.4 -7.4 10.5 859 862 A D H 3> S+ 0 0 37 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.808 108.6 46.6 -59.9 -31.4 65.8 -6.1 7.8 860 863 A D H <> S+ 0 0 10 -3,-0.6 4,-2.7 2,-0.2 -1,-0.2 0.840 103.8 61.3 -78.1 -35.9 62.9 -4.1 6.4 861 864 A I H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.856 100.3 58.4 -55.7 -36.9 62.0 -2.8 9.9 862 865 A A H X S+ 0 0 27 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.980 108.9 40.4 -55.3 -61.1 65.5 -1.3 9.8 863 866 A R H X S+ 0 0 102 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.902 114.6 52.6 -57.9 -44.9 64.9 0.8 6.7 864 867 A L H X S+ 0 0 9 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.916 108.7 50.5 -58.8 -42.6 61.4 1.8 7.8 865 868 A L H X S+ 0 0 14 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.843 106.2 56.4 -64.5 -33.6 62.8 2.9 11.2 866 869 A D H X S+ 0 0 97 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.943 110.3 45.5 -58.4 -48.1 65.4 4.9 9.3 867 870 A V H X S+ 0 0 4 -4,-2.3 4,-1.8 2,-0.2 3,-0.5 0.961 114.7 45.4 -60.1 -54.6 62.6 6.7 7.5 868 871 A L H X S+ 0 0 6 -4,-2.8 4,-2.0 1,-0.3 -1,-0.2 0.891 112.8 50.3 -58.3 -43.7 60.4 7.3 10.7 869 872 A H H X S+ 0 0 26 -4,-2.6 4,-2.0 1,-0.2 -1,-0.3 0.731 106.7 56.3 -69.8 -22.0 63.4 8.5 12.7 870 873 A R H X S+ 0 0 124 -4,-1.3 4,-1.4 -3,-0.5 -1,-0.2 0.859 105.9 50.9 -71.5 -37.0 64.2 10.8 9.8 871 874 A L H <>S+ 0 0 13 -4,-1.8 5,-1.1 1,-0.2 -2,-0.2 0.883 112.3 46.2 -64.4 -38.3 60.7 12.2 10.2 872 875 A V H ><5S+ 0 0 3 -4,-2.0 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22.1 1318 371 B A G X S+ 0 0 1 -3,-2.0 3,-0.7 1,-0.3 -1,-0.3 0.661 81.8 67.8 -69.5 -16.7 -31.8 -71.6 20.7 1319 372 B L G < S+ 0 0 19 -3,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.679 90.1 63.2 -72.2 -19.3 -35.0 -73.6 20.6 1320 373 B D G < S+ 0 0 15 -3,-1.6 2,-0.9 -4,-0.2 -1,-0.2 0.526 86.2 76.0 -86.5 -7.3 -35.0 -73.6 24.4 1321 374 B N S < S+ 0 0 20 -3,-0.7 -1,-0.2 -4,-0.2 -227,-0.1 -0.833 79.1 118.9 -97.7 93.2 -35.2 -69.8 24.4 1322 375 B R - 0 0 14 -2,-0.9 -227,-0.1 -229,-0.1 -24,-0.1 -0.916 68.9 -85.1-150.2 162.9 -38.9 -69.7 23.6 1323 376 B P - 0 0 5 0, 0.0 -230,-0.2 0, 0.0 -233,-0.1 -0.386 60.2 -91.4 -68.8 160.6 -42.4 -68.6 24.7 1324 377 B L - 0 0 1 -232,-1.2 2,-0.2 1,-0.1 -26,-0.1 -0.284 32.5-119.8 -70.6 156.7 -44.3 -71.0 27.0 1325 378 B T > - 0 0 28 -27,-0.1 4,-1.8 -28,-0.1 3,-0.2 -0.547 37.0-102.3 -83.6 165.3 -46.6 -73.6 25.7 1326 379 B F H > S+ 0 0 8 -31,-0.3 4,-2.1 1,-0.2 5,-0.1 0.816 120.1 55.6 -62.2 -31.0 -50.1 -73.3 27.0 1327 380 B E H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.904 105.2 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