==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/ELECTRON TRANSPORT/DNA 08-JUN-04 1TK8 . COMPND 2 MOLECULE: 5'- . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.G.BRIEBA,B.F.EICHMAN,R.J.KOKOSKA,S.DOUBLIE,T.A.KUNKEL, . 797 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37405.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 564 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 89 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 2 0.3 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 . 43 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 2.1 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 1 1 2 2 2 2 0 1 1 3 2 0 1 0 0 1 0 1 1 2 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 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 PARALLEL BRIDGES PER LADDER . 8 3 2 1 3 3 1 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 . 5 1 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 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 19 0, 0.0 25,-2.3 0, 0.0 26,-0.4 0.000 360.0 360.0 360.0 134.8 26.8 208.8 33.6 2 2 A I E -Ab 25 56A 3 53,-2.6 55,-2.8 23,-0.2 2,-0.4 -0.923 360.0-144.1-128.4 155.1 25.0 205.5 33.9 3 3 A V E +Ab 24 57A 0 21,-2.5 21,-2.8 -2,-0.3 2,-0.3 -0.975 31.1 167.1-119.1 132.8 26.0 202.1 35.2 4 4 A S E +A 23 0A 0 53,-3.0 55,-0.3 -2,-0.4 2,-0.3 -0.896 20.9 178.1-143.2 171.1 24.7 199.0 33.5 5 5 A D E -A 22 0A 17 17,-1.2 17,-1.9 -2,-0.3 2,-0.3 -0.937 14.9-149.9-167.7 150.4 24.9 195.3 33.1 6 6 A I E -A 21 0A 3 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.849 7.1-144.8-128.1 166.1 23.0 192.7 31.1 7 7 A E E +A 20 0A 21 13,-2.8 12,-2.9 -2,-0.3 13,-1.8 -0.998 27.7 169.3-128.8 129.8 22.1 189.0 31.4 8 8 A A E -A 18 0A 6 -2,-0.4 10,-0.2 10,-0.3 148,-0.1 -0.816 45.0 -99.8-134.0 175.9 21.9 186.9 28.3 9 9 A N S S- 0 0 26 8,-2.2 2,-0.3 -2,-0.3 145,-0.1 0.542 90.6 -4.9 -80.4 -6.2 21.6 183.2 27.4 10 10 A A S S- 0 0 32 7,-0.2 5,-0.1 145,-0.0 -2,-0.1 -0.978 84.3 -63.9-168.8 177.4 25.3 182.4 26.6 11 11 A L >> - 0 0 93 -2,-0.3 3,-1.6 1,-0.1 4,-1.0 -0.301 64.4 -93.0 -69.1 162.6 28.9 183.6 26.2 12 12 A L G >4 S+ 0 0 24 1,-0.3 3,-0.7 2,-0.2 -1,-0.1 0.838 120.4 67.7 -44.7 -44.9 29.6 186.0 23.4 13 13 A E G 34 S+ 0 0 135 1,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.821 123.5 8.7 -48.5 -39.8 30.5 183.2 20.9 14 14 A S G <4 S+ 0 0 77 -3,-1.6 -1,-0.2 0, 0.0 -2,-0.2 0.160 84.4 142.3-133.5 23.0 26.9 181.8 20.9 15 15 A V << + 0 0 0 -4,-1.0 3,-0.1 -3,-0.7 -4,-0.0 -0.449 9.5 159.6 -67.6 134.4 24.7 184.3 22.7 16 16 A T + 0 0 70 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.395 54.4 53.6-134.2 -3.9 21.3 184.6 20.9 17 17 A K - 0 0 91 -7,-0.0 -8,-2.2 58,-0.0 2,-0.5 -0.974 61.0-145.8-144.8 130.7 19.0 186.1 23.6 18 18 A F E -A 8 0A 3 -2,-0.4 -10,-0.3 -10,-0.2 21,-0.1 -0.765 17.8-178.8 -86.2 126.8 19.0 189.1 25.8 19 19 A H E - 0 0 5 -12,-2.9 2,-0.3 -2,-0.5 -11,-0.2 0.879 55.8 -38.3 -93.3 -53.3 17.3 188.1 29.1 20 20 A C E -A 7 0A 0 -13,-1.8 -13,-2.8 15,-0.2 -1,-0.4 -0.981 45.9-156.5-163.6 173.0 17.5 191.4 31.0 21 21 A G E -AC 6 34A 0 13,-2.0 13,-3.0 -2,-0.3 2,-0.4 -0.986 7.5-150.2-156.5 153.7 19.4 194.5 31.9 22 22 A V E -AC 5 33A 0 -17,-1.9 -17,-1.2 -2,-0.3 2,-0.4 -0.969 8.9-162.6-129.7 145.3 19.5 197.1 34.6 23 23 A I E -AC 4 32A 9 9,-2.4 9,-2.3 -2,-0.4 2,-0.6 -0.994 7.1-165.6-133.7 131.0 20.5 200.7 34.5 24 24 A Y E -AC 3 31A 24 -21,-2.8 -21,-2.5 -2,-0.4 2,-0.6 -0.969 12.9-160.5-112.4 120.1 21.5 203.1 37.2 25 25 A D E >>> -AC 2 30A 28 5,-1.9 4,-2.9 -2,-0.6 3,-1.1 -0.901 11.9-157.1-106.2 118.9 21.4 206.8 36.2 26 26 A Y T 345S+ 0 0 43 -25,-2.3 -1,-0.1 -2,-0.6 -24,-0.1 0.858 93.6 60.8 -59.4 -35.3 23.4 209.2 38.3 27 27 A S T 345S+ 0 0 95 -26,-0.4 -1,-0.2 1,-0.2 -25,-0.1 0.748 120.7 24.4 -65.8 -23.7 21.3 212.1 37.1 28 28 A T T <45S- 0 0 74 -3,-1.1 -2,-0.2 2,-0.2 -1,-0.2 0.590 93.7-137.8-112.1 -21.0 18.1 210.5 38.6 29 29 A A T <5 + 0 0 62 -4,-2.9 2,-0.3 1,-0.2 -3,-0.2 0.760 64.4 119.4 66.5 25.6 19.7 208.3 41.3 30 30 A E E < -C 25 0A 131 -5,-0.8 -5,-1.9 2,-0.0 2,-0.4 -0.896 60.2-131.7-125.7 154.4 17.4 205.5 40.3 31 31 A Y E -C 24 0A 91 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.812 19.4-164.9-100.5 142.3 17.6 202.0 39.0 32 32 A V E -C 23 0A 64 -9,-2.3 -9,-2.4 -2,-0.4 2,-0.4 -0.995 6.5-149.6-130.6 130.3 15.6 200.8 36.1 33 33 A S E -C 22 0A 42 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.800 4.9-162.1-102.3 141.5 15.0 197.2 35.1 34 34 A Y E -C 21 0A 32 -13,-3.0 -13,-2.0 -2,-0.4 5,-0.0 -0.986 8.7-158.9-121.8 126.2 14.5 195.9 31.6 35 35 A R > - 0 0 89 -2,-0.5 3,-3.5 -15,-0.2 4,-0.3 -0.463 44.8 -78.6 -96.9 174.0 13.0 192.5 31.0 36 36 A P G > S+ 0 0 54 0, 0.0 3,-0.7 0, 0.0 -18,-0.1 0.774 133.2 47.9 -42.9 -34.4 13.3 190.4 27.8 37 37 A S G 3 S+ 0 0 109 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.468 103.2 63.8 -87.4 -0.9 10.6 192.4 26.1 38 38 A D G <> + 0 0 60 -3,-3.5 4,-2.9 1,-0.2 -1,-0.2 0.297 67.1 109.7-101.7 6.4 12.2 195.7 27.1 39 39 A F H <> S+ 0 0 5 -3,-0.7 4,-2.6 -4,-0.3 5,-0.3 0.902 77.2 51.0 -49.2 -48.9 15.4 195.1 25.1 40 40 A G H > S+ 0 0 21 1,-0.2 4,-2.1 -3,-0.2 -1,-0.2 0.938 113.0 46.0 -55.7 -46.2 14.5 197.8 22.5 41 41 A A H > S+ 0 0 46 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.874 109.2 55.8 -64.4 -39.2 13.9 200.2 25.4 42 42 A Y H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.947 110.2 44.5 -58.6 -49.9 17.2 199.2 27.1 43 43 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.870 109.4 57.1 -63.0 -37.7 19.2 199.9 23.9 44 44 A D H X S+ 0 0 87 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.894 105.6 51.6 -60.7 -38.6 17.3 203.2 23.5 45 45 A A H X S+ 0 0 26 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.882 108.5 49.5 -66.7 -39.1 18.5 204.2 27.0 46 46 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.921 112.1 48.6 -67.5 -39.8 22.1 203.5 26.3 47 47 A E H X S+ 0 0 77 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.823 106.0 57.6 -68.7 -29.6 22.0 205.5 23.0 48 48 A A H X S+ 0 0 42 -4,-1.8 4,-1.3 2,-0.2 -1,-0.2 0.878 105.9 49.7 -66.4 -37.2 20.3 208.4 24.8 49 49 A E H <>S+ 0 0 2 -4,-1.5 5,-2.5 1,-0.2 -1,-0.2 0.872 111.4 49.7 -68.4 -36.0 23.3 208.5 27.2 50 50 A V H ><5S+ 0 0 33 -4,-1.6 3,-1.8 1,-0.2 -2,-0.2 0.911 107.3 53.8 -67.9 -41.9 25.6 208.5 24.2 51 51 A A H 3<5S+ 0 0 91 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 103.8 56.6 -63.9 -28.0 23.6 211.3 22.5 52 52 A R T 3<5S- 0 0 138 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.318 119.5-110.0 -85.1 9.4 24.0 213.5 25.6 53 53 A G T < 5S+ 0 0 24 -3,-1.8 144,-2.0 1,-0.1 145,-0.3 0.777 76.0 141.8 67.3 24.5 27.8 213.1 25.4 54 54 A G < - 0 0 6 -5,-2.5 2,-0.3 142,-0.2 143,-0.2 0.036 48.3-104.5 -86.9-164.3 27.6 211.0 28.5 55 55 A L - 0 0 0 140,-0.1 -53,-2.6 138,-0.1 2,-0.5 -0.955 14.1-155.9-130.6 145.6 29.3 207.8 29.9 56 56 A I E -bd 2 88A 0 31,-2.9 33,-2.8 -2,-0.3 2,-0.5 -0.979 12.3-157.5-121.8 123.8 28.3 204.2 30.3 57 57 A V E +bd 3 89A 0 -55,-2.8 -53,-3.0 -2,-0.5 2,-0.3 -0.882 18.4 163.9-107.4 127.5 29.9 202.0 32.9 58 58 A F E - d 0 90A 0 31,-2.5 33,-2.5 -2,-0.5 2,-0.6 -0.778 38.8-123.0-126.3 172.3 30.0 198.2 32.7 59 59 A H S S- 0 0 6 -55,-0.3 6,-0.2 -2,-0.3 31,-0.1 -0.953 102.9 -9.8-119.2 103.9 32.1 195.6 34.4 60 60 A N S >>S+ 0 0 25 -2,-0.6 4,-2.1 4,-0.1 5,-0.5 0.783 93.8 138.7 76.4 29.4 33.8 193.7 31.6 61 61 A G T 4> + 0 0 0 3,-0.2 5,-1.9 1,-0.2 7,-0.2 0.816 59.9 66.0 -73.9 -30.0 31.6 195.4 29.1 62 62 A H T 45S+ 0 0 2 1,-0.2 -1,-0.2 4,-0.1 28,-0.0 0.911 115.3 27.0 -59.4 -41.3 34.5 195.9 26.7 63 63 A K T 45S+ 0 0 40 3,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.794 140.0 11.3 -92.7 -29.7 34.8 192.1 26.2 64 64 A Y T X5S+ 0 0 41 -4,-2.1 4,-3.1 3,-0.1 5,-0.2 0.775 119.5 40.4-110.4 -80.7 31.3 191.0 26.8 65 65 A D H > S+ 0 0 13 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.906 115.7 55.7 -60.4 -39.8 29.8 193.3 21.7 68 68 A A H X S+ 0 0 0 -4,-3.1 4,-3.2 1,-0.2 5,-0.3 0.913 107.3 48.4 -57.2 -45.2 27.0 191.2 23.0 69 69 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.2 5,-0.2 0.897 109.5 52.4 -64.3 -40.5 24.5 194.0 22.6 70 70 A T H X S+ 0 0 39 -4,-2.1 4,-1.1 -5,-0.2 11,-0.3 0.927 115.4 42.1 -60.2 -44.4 25.7 194.7 19.1 71 71 A K H X S+ 0 0 64 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.930 115.9 46.2 -69.2 -48.3 25.2 191.1 18.2 72 72 A L H X>S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.7 0.868 108.0 57.1 -64.9 -36.7 21.9 190.6 20.0 73 73 A A H X5S+ 0 0 0 -4,-2.5 6,-2.6 -5,-0.3 4,-0.9 0.863 110.5 45.9 -62.8 -33.6 20.4 193.8 18.6 74 74 A K H X5S+ 0 0 89 -4,-1.1 4,-0.8 4,-0.3 -2,-0.2 0.953 119.0 39.1 -73.5 -49.5 21.1 192.5 15.1 75 75 A L H <5S+ 0 0 106 -4,-2.3 -2,-0.2 2,-0.1 -3,-0.2 0.931 127.3 30.2 -66.2 -50.3 19.7 189.0 15.8 76 76 A Q H <5S+ 0 0 70 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.903 137.9 17.3 -80.5 -42.8 16.7 189.9 17.9 77 77 A L H < - 0 0 42 0, 0.0 3,-1.4 0, 0.0 4,-0.3 -0.441 16.7-125.1 -70.1 145.6 31.3 204.3 20.6 85 85 A R G > S+ 0 0 45 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.885 106.6 60.4 -56.7 -44.2 34.5 203.4 22.5 86 86 A E G 3 S+ 0 0 66 1,-0.3 -1,-0.3 -31,-0.0 115,-0.1 0.586 101.4 54.7 -63.4 -12.9 34.9 206.9 24.0 87 87 A N G < S+ 0 0 5 -3,-1.4 -31,-2.9 -32,-0.1 2,-0.4 0.479 94.2 88.4 -98.9 -4.1 31.6 206.6 25.8 88 88 A C E < -d 56 0A 0 -3,-1.8 2,-0.4 -4,-0.3 -31,-0.2 -0.808 49.6-174.5-106.4 138.5 32.4 203.4 27.6 89 89 A I E -d 57 0A 0 -33,-2.8 -31,-2.5 -2,-0.4 2,-0.5 -0.955 9.3-157.5-122.6 140.8 34.1 202.7 30.9 90 90 A D E > -d 58 0A 3 -2,-0.4 4,-2.3 -33,-0.2 -31,-0.2 -0.963 7.7-161.3-123.8 115.0 35.0 199.3 32.2 91 91 A T H > S+ 0 0 0 -33,-2.5 4,-2.5 -2,-0.5 -32,-0.2 0.747 94.5 56.7 -65.5 -23.3 35.4 198.8 36.0 92 92 A L H > S+ 0 0 10 -34,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.900 107.8 47.1 -73.8 -40.3 37.4 195.6 35.4 93 93 A V H > S+ 0 0 15 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.924 115.6 45.9 -64.2 -44.2 39.9 197.5 33.2 94 94 A L H >X S+ 0 0 1 -4,-2.3 4,-2.8 1,-0.2 3,-0.6 0.927 112.1 51.6 -62.3 -45.4 40.1 200.2 35.9 95 95 A S H 3X S+ 0 0 14 -4,-2.5 4,-2.0 1,-0.3 -1,-0.2 0.850 108.4 50.6 -61.8 -35.4 40.4 197.7 38.6 96 96 A R H 3< S+ 0 0 21 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.715 113.8 46.4 -76.8 -19.1 43.2 195.9 36.8 97 97 A L H X< S+ 0 0 1 -4,-1.0 3,-1.0 -3,-0.6 -2,-0.2 0.932 118.4 37.5 -83.9 -54.2 45.1 199.2 36.4 98 98 A I H 3< S+ 0 0 17 -4,-2.8 3,-0.2 1,-0.3 -2,-0.2 0.805 127.2 36.7 -69.1 -32.5 44.7 200.5 39.9 99 99 A H T >< S+ 0 0 52 -4,-2.0 3,-1.7 -5,-0.3 -1,-0.3 -0.363 72.3 142.9-115.5 49.1 45.2 197.1 41.6 100 100 A S T < + 0 0 12 -3,-1.0 -1,-0.2 1,-0.3 322,-0.1 0.709 66.1 65.2 -61.9 -20.7 47.8 195.8 39.1 101 101 A N T 3 S+ 0 0 72 -3,-0.2 -1,-0.3 -4,-0.1 2,-0.2 0.704 95.9 72.8 -75.6 -18.8 49.5 194.1 42.1 102 102 A L S < S- 0 0 53 -3,-1.7 2,-0.2 15,-0.1 17,-0.1 -0.479 73.0-133.3 -96.6 166.6 46.5 191.8 42.6 103 103 A K - 0 0 92 15,-0.8 17,-0.4 13,-0.3 2,-0.3 -0.553 18.2-163.2-105.4 173.4 45.1 188.8 40.8 104 104 A D - 0 0 44 -2,-0.2 20,-0.1 15,-0.1 15,-0.0 -0.974 34.0-110.6-155.3 158.6 41.5 188.2 39.8 105 105 A T >> - 0 0 7 -2,-0.3 5,-2.5 1,-0.1 4,-1.0 0.389 50.3-119.3 -73.9 4.5 39.4 185.2 38.7 106 106 A D T 45S- 0 0 19 1,-0.2 3,-0.5 2,-0.2 -1,-0.1 0.909 78.4 -46.3 55.6 44.0 39.1 186.7 35.2 107 107 A M T 45S- 0 0 59 1,-0.2 -1,-0.2 16,-0.1 23,-0.1 0.845 114.1 -45.6 67.3 40.2 35.3 186.7 35.8 108 108 A G T 45S+ 0 0 42 2,-0.2 -1,-0.2 22,-0.1 -2,-0.2 0.448 112.1 109.3 88.5 -1.2 35.0 183.2 37.2 109 109 A L T <5S+ 0 0 111 -4,-1.0 2,-0.4 -3,-0.5 -3,-0.2 0.771 77.0 55.2 -77.2 -23.9 37.2 181.4 34.6 110 110 A L S > - 0 0 177 -2,-0.4 3,-1.1 1,-0.1 4,-0.6 -0.577 20.0-141.1 -73.8 128.1 39.4 179.2 40.6 112 112 A S G >4 S+ 0 0 30 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.936 98.6 56.4 -52.5 -53.1 39.6 181.7 43.5 113 113 A G G 34 S+ 0 0 83 1,-0.3 -1,-0.2 -3,-0.0 -2,-0.0 0.662 99.9 58.8 -56.9 -20.1 41.5 179.3 45.7 114 114 A K G <4 S+ 0 0 148 -3,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.637 87.5 93.2 -86.5 -13.4 44.3 178.7 43.2 115 115 A L S << S- 0 0 37 -3,-1.8 2,-0.1 -4,-0.6 -10,-0.0 -0.546 73.9-125.7 -84.1 143.1 45.3 182.4 43.0 116 116 A P + 0 0 84 0, 0.0 -13,-0.3 0, 0.0 -1,-0.1 -0.498 68.6 5.4 -84.0 155.5 48.1 183.9 45.2 117 117 A G S S- 0 0 75 -2,-0.1 2,-0.2 -15,-0.1 -15,-0.1 -0.172 99.8 -40.5 73.3-165.4 47.5 186.9 47.4 118 124 A A - 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0 0 87 -2,-0.5 -70,-0.1 -70,-0.2 -71,-0.1 -0.784 38.4 -92.9 -96.2 135.2 54.7 150.3 34.6 328 334 A F - 0 0 4 -2,-0.4 -1,-0.1 -73,-0.3 -71,-0.1 -0.170 37.6-161.0 -49.0 128.1 57.5 152.7 33.8 329 335 A N > - 0 0 71 3,-0.1 3,-3.0 1,-0.1 7,-0.3 -0.929 9.8-159.4-116.8 104.2 56.2 156.1 32.9 330 336 A P T 3 S+ 0 0 0 0, 0.0 -1,-0.1 0, 0.0 54,-0.1 0.712 93.9 62.1 -55.1 -19.4 58.8 158.2 31.1 331 337 A S T 3 S+ 0 0 48 52,-0.1 2,-0.8 1,-0.1 3,-0.1 0.516 84.2 92.4 -84.0 -5.9 56.8 161.2 32.2 332 338 A S <> - 0 0 30 -3,-3.0 4,-2.9 1,-0.2 5,-0.2 -0.808 56.7-166.1 -96.7 108.9 57.4 160.4 35.8 333 339 A R H > S+ 0 0 129 -2,-0.8 4,-2.4 1,-0.2 -1,-0.2 0.834 95.2 55.8 -57.4 -31.7 60.4 162.2 37.2 334 340 A D H > S+ 0 0 99 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.945 108.6 44.9 -66.7 -48.0 60.0 159.8 40.2 335 341 A H H > S+ 0 0 21 -6,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 113.4 50.5 -61.8 -44.9 60.2 156.8 37.9 336 342 A I H X S+ 0 0 1 -4,-2.9 4,-2.4 -7,-0.3 5,-0.2 0.933 111.9 47.4 -59.9 -45.2 63.1 158.2 36.0 337 343 A Q H X S+ 0 0 35 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.889 111.2 51.8 -63.0 -41.1 65.0 158.9 39.2 338 344 A K H X S+ 0 0 56 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.961 113.3 42.8 -61.4 -52.9 64.3 155.4 40.5 339 345 A K H < S+ 0 0 26 -4,-2.5 4,-0.3 1,-0.2 -2,-0.2 0.894 113.6 50.8 -63.2 -42.2 65.5 153.6 37.5 340 346 A L H ><>S+ 0 0 1 -4,-2.4 5,-2.2 -5,-0.2 3,-0.9 0.879 110.1 48.3 -67.3 -36.3 68.7 155.7 37.0 341 347 A Q H ><5S+ 0 0 76 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.863 107.0 57.2 -71.4 -30.6 69.8 155.3 40.6 342 348 A E T 3<5S+ 0 0 126 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.580 105.2 54.6 -72.4 -6.8 69.3 151.6 40.3 343 349 A A T < 5S- 0 0 19 -3,-0.9 26,-0.6 -4,-0.3 27,-0.3 0.234 132.5 -89.7-107.7 8.7 71.7 151.8 37.3 344 350 A G T < 5S+ 0 0 51 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.225 75.9 146.2 106.1 -15.5 74.4 153.5 39.3 345 351 A W < - 0 0 30 -5,-2.2 -1,-0.3 -6,-0.1 -2,-0.1 -0.355 33.4-156.8 -61.9 129.9 73.6 157.2 38.9 346 352 A V - 0 0 113 -2,-0.1 -1,-0.1 0, 0.0 -5,-0.0 -0.891 17.2-132.7-112.3 101.5 74.4 159.3 42.0 347 353 A P - 0 0 8 0, 0.0 3,-0.1 0, 0.0 19,-0.0 -0.199 21.5-175.6 -54.5 137.1 72.3 162.5 42.1 348 354 A T + 0 0 136 1,-0.2 2,-0.4 9,-0.1 14,-0.0 0.821 67.4 44.0 -99.8 -48.6 74.3 165.7 42.9 349 355 A K - 0 0 94 8,-0.2 8,-2.2 0, 0.0 2,-0.3 -0.855 64.9-175.5-108.7 138.2 71.5 168.3 43.1 350 356 A Y B -N 356 0J 114 -2,-0.4 2,-0.1 6,-0.3 5,-0.1 -0.768 28.3-100.4-122.7 167.3 68.2 167.9 44.9 351 357 A T > - 0 0 58 4,-3.6 3,-1.8 -2,-0.3 -1,-0.1 -0.378 39.7-103.3 -82.4 166.0 65.0 170.0 45.3 352 358 A D T 3 S+ 0 0 184 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.499 125.5 53.8 -68.0 0.2 64.3 172.1 48.3 353 359 A K T 3 S- 0 0 198 2,-0.2 -1,-0.3 0, 0.0 0, 0.0 0.470 123.3-100.5-110.8 -8.3 61.9 169.3 49.2 354 360 A G S < S+ 0 0 49 -3,-1.8 -2,-0.1 1,-0.4 3,-0.0 0.192 80.4 123.7 111.8 -19.4 64.3 166.4 48.9 355 361 A A - 0 0 52 -5,-0.1 -4,-3.6 1,-0.1 -1,-0.4 -0.519 68.0-108.2 -77.3 142.2 63.6 165.0 45.5 356 362 A P B -N 350 0J 22 0, 0.0 -6,-0.3 0, 0.0 2,-0.3 -0.480 37.6-107.0 -70.8 140.1 66.5 164.7 43.1 357 363 A V - 0 0 24 -8,-2.2 2,-0.2 -2,-0.2 -8,-0.2 -0.497 35.7-177.1 -69.2 128.7 66.4 167.2 40.3 358 364 A V + 0 0 13 -2,-0.3 2,-0.2 4,-0.1 -1,-0.1 -0.599 29.7 130.2-129.3 71.1 65.5 165.6 36.9 359 365 A D S > S- 0 0 43 -2,-0.2 4,-2.4 -26,-0.0 5,-0.3 -0.589 75.3 -85.6-112.1 177.8 65.6 168.3 34.3 360 366 A D H > S+ 0 0 92 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.813 123.6 58.6 -55.3 -34.2 67.2 168.4 30.9 361 367 A E H > S+ 0 0 96 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.972 111.2 37.7 -60.9 -58.0 70.5 169.6 32.4 362 368 A V H >> S+ 0 0 20 2,-0.2 4,-1.1 1,-0.2 3,-0.8 0.946 113.3 55.6 -61.3 -49.7 71.0 166.7 34.7 363 369 A L H >< S+ 0 0 2 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.907 106.0 54.0 -49.5 -44.1 69.7 164.1 32.3 364 370 A E H 3< S+ 0 0 104 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.873 113.3 42.5 -58.1 -38.4 72.3 165.4 29.8 365 371 A G H << S+ 0 0 51 -4,-1.3 -1,-0.3 -3,-0.8 -2,-0.2 0.479 85.9 117.1 -90.7 -1.9 75.0 164.8 32.5 366 372 A V << - 0 0 1 -4,-1.1 2,-0.4 -3,-1.0 11,-0.1 -0.429 41.6-171.8 -69.4 139.7 73.9 161.4 33.8 367 373 A R + 0 0 169 -2,-0.1 2,-0.3 -23,-0.0 -2,-0.0 -0.971 8.9 170.0-136.9 118.5 76.4 158.6 33.2 368 374 A V - 0 0 11 -2,-0.4 -24,-0.1 2,-0.2 6,-0.1 -0.944 36.4-125.0-126.1 149.0 75.6 154.9 34.0 369 375 A D S S+ 0 0 157 -26,-0.6 -1,-0.1 -2,-0.3 -25,-0.1 0.936 86.5 85.2 -59.2 -53.7 77.7 151.9 33.0 370 376 A D S > S- 0 0 66 -27,-0.3 4,-2.1 1,-0.2 3,-0.3 -0.339 70.0-150.6 -55.6 115.5 75.1 149.8 31.1 371 377 A P H > S+ 0 0 100 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.771 91.8 56.1 -60.4 -29.1 75.2 151.2 27.5 372 378 A E H > S+ 0 0 93 2,-0.2 4,-1.3 1,-0.2 -118,-0.1 0.898 111.5 42.1 -71.6 -40.6 71.6 150.4 26.8 373 379 A K H > S+ 0 0 56 -3,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.842 109.7 58.6 -73.2 -34.6 70.3 152.5 29.7 374 380 A Q H < S+ 0 0 51 -4,-2.1 3,-0.5 1,-0.2 4,-0.4 0.908 109.9 44.3 -59.5 -40.7 72.8 155.2 29.0 375 381 A A H >X S+ 0 0 54 -4,-1.6 3,-1.2 1,-0.2 4,-1.1 0.790 102.5 66.4 -73.2 -29.9 71.2 155.5 25.5 376 382 A A H 3X S+ 0 0 2 -4,-1.3 4,-1.9 1,-0.3 -1,-0.2 0.768 86.7 71.5 -63.4 -25.3 67.7 155.3 27.1 377 383 A I H 3X S+ 0 0 3 -4,-1.0 4,-1.7 -3,-0.5 -1,-0.3 0.867 96.8 49.7 -60.5 -34.2 68.5 158.7 28.7 378 384 A D H <> S+ 0 0 92 -3,-1.2 4,-2.8 -4,-0.4 5,-0.2 0.920 107.5 52.9 -70.2 -42.0 68.2 160.3 25.2 379 385 A L H X S+ 0 0 36 -4,-1.1 4,-2.3 1,-0.2 -2,-0.2 0.839 108.5 52.2 -60.9 -32.4 64.9 158.6 24.5 380 386 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.892 109.2 48.0 -71.1 -40.7 63.6 160.0 27.8 381 387 A K H X S+ 0 0 22 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.940 113.8 46.8 -64.9 -46.7 64.6 163.5 26.9 382 388 A E H X S+ 0 0 60 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.919 112.3 52.2 -59.9 -42.8 63.0 163.2 23.5 383 389 A Y H X S+ 0 0 14 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.917 106.2 51.2 -60.4 -47.1 59.9 161.7 25.2 384 390 A L H X S+ 0 0 27 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.900 114.2 46.3 -58.8 -38.4 59.6 164.6 27.7 385 391 A M H X S+ 0 0 38 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.921 108.0 54.2 -70.8 -44.5 59.8 167.0 24.8 386 392 A I H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.916 109.9 49.6 -55.8 -42.1 57.3 165.0 22.6 387 393 A Q H X S+ 0 0 48 -4,-2.6 4,-3.6 2,-0.2 5,-0.3 0.905 104.7 57.0 -62.6 -42.8 54.8 165.3 25.5 388 394 A K H X S+ 0 0 145 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.926 112.8 42.1 -53.1 -46.6 55.4 169.0 25.9 389 395 A R H X S+ 0 0 28 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.877 115.4 47.6 -70.2 -40.3 54.3 169.3 22.2 390 396 A I H X>S+ 0 0 0 -4,-2.5 4,-3.1 -5,-0.2 5,-2.4 0.921 111.5 51.6 -68.0 -43.1 51.4 166.9 22.4 391 397 A G H <>S+ 0 0 21 -4,-3.6 5,-2.2 4,-0.2 -2,-0.2 0.916 115.6 40.1 -59.9 -45.6 50.1 168.5 25.6 392 398 A Q H <5S+ 0 0 41 -4,-1.8 8,-1.9 -5,-0.3 -1,-0.2 0.827 125.3 36.1 -74.1 -32.9 50.1 172.0 24.1 393 399 A S H <5S- 0 0 0 -4,-2.1 8,-1.9 6,-0.2 -2,-0.2 0.854 136.9 -8.5 -91.4 -37.0 48.8 171.0 20.6 394 400 A A T <5S+ 0 0 8 -4,-3.1 -3,-0.2 -5,-0.3 5,-0.1 0.749 124.6 36.9-131.1 -43.3 46.4 168.2 21.3 395 401 A E T - 0 0 0 -3,-1.4 3,-1.5 -5,-0.1 4,-0.6 -0.239 54.1-122.7 -56.7 142.1 45.2 172.3 23.8 400 406 A W H >> S+ 0 0 3 -8,-1.9 3,-1.7 1,-0.3 4,-1.1 0.904 112.3 56.0 -52.0 -46.5 45.0 174.2 20.5 401 407 A L H 34 S+ 0 0 37 -8,-1.9 -1,-0.3 1,-0.3 -7,-0.1 0.694 104.3 53.1 -62.5 -20.1 42.8 171.5 19.0 402 408 A R H <4 S+ 0 0 156 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.556 112.9 46.3 -89.7 -8.5 40.3 171.8 21.9 403 409 A Y H << S+ 0 0 80 -3,-1.7 8,-0.5 -4,-0.6 -2,-0.2 0.545 74.8 115.6-110.4 -10.7 40.1 175.6 21.2 404 410 A V B < -F 410 0B 42 -4,-1.1 6,-0.2 6,-0.1 2,-0.1 -0.412 56.9-146.3 -60.1 135.1 39.7 175.9 17.5 405 411 A A > - 0 0 39 4,-2.5 3,-1.8 1,-0.1 -2,-0.1 -0.434 28.2 -93.5 -97.5 176.4 36.2 177.4 16.9 406 412 A E T 3 S+ 0 0 202 1,-0.3 -2,-0.1 2,-0.1 -1,-0.1 0.826 122.5 63.4 -58.8 -33.6 33.8 176.8 14.1 407 413 A D T 3 S- 0 0 78 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.324 118.9-110.2 -76.2 12.0 35.2 179.8 12.2 408 414 A G S < S+ 0 0 29 -3,-1.8 -180,-2.5 1,-0.2 2,-0.3 0.686 83.0 110.8 70.4 17.6 38.5 178.0 11.9 409 415 A K E -E 227 0B 23 -182,-0.2 -4,-2.5 -6,-0.1 2,-0.6 -0.888 66.4-129.4-124.6 155.8 40.2 180.4 14.3 410 416 A I E -EF 226 404B 1 -184,-2.0 -184,-2.5 -2,-0.3 2,-1.0 -0.919 18.2-155.4-101.6 122.9 41.6 180.1 17.9 411 417 A H - 0 0 47 -2,-0.6 -189,-0.1 -8,-0.5 -188,-0.0 -0.576 16.8-165.2-100.1 69.8 40.2 183.0 19.9 412 418 A G - 0 0 8 -2,-1.0 2,-0.2 -191,-0.1 16,-0.2 -0.187 16.7-121.9 -56.0 142.7 42.9 183.3 22.6 413 419 A S E -O 427 0K 13 14,-2.5 14,-2.1 16,-0.3 2,-0.4 -0.554 24.9-163.4 -88.0 152.3 42.0 185.3 25.6 414 420 A V E -O 426 0K 6 12,-0.2 12,-0.2 -2,-0.2 3,-0.1 -0.988 19.8-158.0-141.9 129.4 44.0 188.4 26.8 415 421 A N E > -O 425 0K 22 10,-2.4 3,-2.0 -2,-0.4 10,-1.8 -0.875 20.5-155.1-101.5 96.6 44.1 190.3 30.1 416 422 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.721 90.2 24.9 -45.2 -30.0 45.5 193.6 28.7 417 423 A N T 3 S+ 0 0 5 1,-0.1 7,-0.2 7,-0.1 6,-0.1 -0.208 81.9 129.6-132.5 44.3 47.0 194.5 32.1 418 424 A G < + 0 0 19 -3,-2.0 2,-0.3 7,-0.1 6,-0.2 0.745 56.4 68.9 -72.3 -27.7 47.5 191.1 33.7 419 425 A A S > S- 0 0 25 4,-2.1 3,-2.3 -4,-0.2 4,-0.1 -0.739 85.8-121.4 -95.8 144.6 51.2 191.5 34.8 420 426 A V T 3 S+ 0 0 16 -2,-0.3 171,-0.3 1,-0.3 -1,-0.1 0.861 111.0 59.9 -46.7 -43.5 52.3 193.9 37.6 421 427 A T T 3 S- 0 0 3 1,-0.1 -1,-0.3 169,-0.1 188,-0.2 0.661 124.3 -99.4 -63.2 -17.7 54.6 195.7 35.1 422 428 A G S < S+ 0 0 0 -3,-2.3 -2,-0.1 1,-0.4 -4,-0.1 0.489 82.3 131.3 108.4 4.0 51.7 196.6 32.8 423 429 A R - 0 0 62 -6,-0.1 -4,-2.1 -4,-0.1 -1,-0.4 -0.412 58.2-113.0 -79.7 168.0 52.3 193.8 30.3 424 430 A A - 0 0 5 -7,-0.2 2,-0.3 -6,-0.2 -1,-0.1 -0.585 20.1-138.0 -98.2 163.1 49.4 191.7 29.3 425 431 A T E -O 415 0K 60 -10,-1.8 -10,-2.4 -2,-0.2 2,-0.4 -0.895 14.9-148.8-118.2 152.0 48.9 188.0 30.1 426 432 A H E +O 414 0K 21 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.966 25.7 147.8-126.2 140.5 47.6 185.5 27.5 427 433 A A E +O 413 0K 33 -14,-2.1 -14,-2.5 -2,-0.4 3,-0.1 -0.996 31.5 75.7-163.9 166.4 45.5 182.4 28.1 428 434 A F S S- 0 0 27 -2,-0.3 -1,-0.1 -16,-0.2 2,-0.1 0.924 139.0 -0.0 59.8 53.3 42.9 179.9 26.9 429 435 A P S S- 0 0 5 0, 0.0 2,-1.2 0, 0.0 -2,-0.3 0.706 99.9-124.4 -95.2 174.5 45.2 179.0 25.2 430 436 A N > - 0 0 39 1,-0.2 3,-1.3 -4,-0.2 -3,-0.1 -0.652 25.5-177.1 -80.7 99.0 48.3 181.1 25.8 431 437 A L T 3 S+ 0 0 13 -2,-1.2 3,-0.5 -18,-0.3 -1,-0.2 0.483 76.2 70.6 -74.7 0.1 49.2 182.3 22.3 432 438 A A T 3 S+ 0 0 27 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.239 95.5 51.4 -98.7 11.4 52.3 184.0 23.8 433 439 A Q < + 0 0 118 -3,-1.3 -1,-0.2 2,-0.1 -2,-0.1 -0.021 69.1 144.1-135.2 30.7 54.1 180.7 24.4 434 440 A I - 0 0 9 -3,-0.5 8,-0.0 1,-0.1 -3,-0.0 -0.539 65.4 -93.8 -70.2 135.7 53.8 179.0 21.0 435 441 A P - 0 0 12 0, 0.0 11,-0.2 0, 0.0 -1,-0.1 -0.228 45.8-113.5 -51.9 136.5 57.0 177.0 20.4 436 442 A G > - 0 0 31 1,-0.1 3,-1.9 -3,-0.1 6,-0.2 -0.353 22.8-110.7 -71.3 155.3 59.5 179.1 18.4 437 443 A V T 3 S+ 0 0 25 1,-0.3 6,-0.7 5,-0.2 5,-0.2 0.778 115.9 57.1 -56.9 -28.9 60.5 178.0 14.9 438 444 A R T 3 S+ 0 0 176 4,-0.2 -1,-0.3 3,-0.1 -2,-0.1 0.232 93.3 81.6 -90.5 14.6 64.0 177.1 16.0 439 445 A S S X S- 0 0 36 -3,-1.9 3,-2.2 1,-0.1 4,-0.4 -0.751 102.6 -69.3-110.3 163.5 62.8 174.6 18.6 440 446 A P T 3 S- 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.285 120.7 -0.2 -55.8 133.0 61.8 171.0 17.7 441 447 A Y T 3> S+ 0 0 54 -4,-0.1 4,-2.3 1,-0.1 5,-0.2 0.497 98.2 126.6 66.4 4.7 58.5 170.9 15.8 442 448 A G H <> + 0 0 1 -3,-2.2 4,-3.2 1,-0.2 5,-0.3 0.885 64.2 52.4 -60.1 -45.7 58.5 174.7 16.0 443 449 A E H > S+ 0 0 132 -6,-0.7 4,-2.2 -4,-0.4 -1,-0.2 0.922 111.8 47.4 -60.3 -42.4 58.1 175.4 12.3 444 450 A Q H > S+ 0 0 90 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.924 116.6 43.5 -64.2 -43.7 55.1 173.1 12.1 445 451 A C H >< S+ 0 0 1 -4,-2.3 3,-1.1 1,-0.2 4,-0.4 0.975 116.5 46.5 -63.4 -54.5 53.5 174.6 15.2 446 452 A R H >< S+ 0 0 18 -4,-3.2 243,-0.9 1,-0.3 3,-0.9 0.803 109.1 55.1 -57.8 -35.1 54.2 178.2 14.2 447 453 A A H 3< S+ 0 0 27 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.671 92.4 70.7 -76.3 -17.4 53.0 177.6 10.6 448 454 A A T << S+ 0 0 1 -3,-1.1 -219,-2.6 -4,-0.8 2,-0.7 0.696 91.2 67.4 -72.3 -17.4 49.6 176.4 11.8 449 455 A F B < S+G 228 0C 0 -3,-0.9 240,-2.6 -4,-0.4 2,-0.3 -0.903 76.8 116.9-104.4 111.2 48.8 180.0 12.9 450 456 A G S > S- 0 0 0 -223,-2.4 3,-1.4 -2,-0.7 238,-0.2 -0.944 70.7-118.3-174.7 151.4 48.5 182.2 9.9 451 457 A A G > S+ 0 0 0 -2,-0.3 3,-2.6 1,-0.3 12,-1.3 0.774 107.6 72.2 -62.7 -28.0 46.5 184.5 7.7 452 458 A E G 3 S+ 0 0 68 235,-2.4 -1,-0.3 1,-0.3 236,-0.1 0.852 89.3 63.2 -57.4 -31.2 47.0 182.2 4.8 453 459 A H G < S+ 0 0 49 -3,-1.4 2,-0.5 234,-0.3 -1,-0.3 0.359 91.1 79.8 -75.5 5.4 44.6 179.9 6.6 454 460 A H < - 0 0 16 -3,-2.6 9,-2.3 9,-0.2 2,-0.5 -0.969 69.5-154.5-116.1 124.9 41.9 182.4 6.3 455 461 A L B -P 462 0L 104 -2,-0.5 6,-0.1 7,-0.2 -2,-0.1 -0.851 30.9-105.5 -99.5 130.3 40.0 182.7 3.0 456 462 A D > - 0 0 14 5,-2.6 4,-1.3 -2,-0.5 176,-0.1 -0.216 24.0-127.0 -52.1 139.2 38.5 186.0 2.2 457 463 A G T 4 S+ 0 0 70 174,-0.5 -1,-0.1 2,-0.1 175,-0.1 0.777 103.1 31.0 -61.7 -28.0 34.8 186.0 2.6 458 464 A I T 4 S+ 0 0 157 3,-0.1 -1,-0.1 1,-0.0 174,-0.0 0.907 132.0 24.4 -94.9 -59.3 34.2 187.4 -0.9 459 465 A T T 4 S- 0 0 90 2,-0.1 -2,-0.1 1,-0.0 -3,-0.0 0.655 89.0-133.6 -84.7 -18.4 37.0 186.2 -3.2 460 466 A G < + 0 0 38 -4,-1.3 -3,-0.1 1,-0.3 -1,-0.0 0.631 58.0 140.1 74.3 11.8 37.9 183.1 -1.3 461 467 A K - 0 0 138 -6,-0.1 -5,-2.6 1,-0.1 -1,-0.3 -0.703 59.8-102.3 -90.1 140.0 41.6 184.0 -1.6 462 468 A P B -P 455 0L 62 0, 0.0 -7,-0.2 0, 0.0 -10,-0.2 -0.238 36.0-121.1 -59.8 145.5 43.9 183.5 1.4 463 469 A W - 0 0 4 -9,-2.3 2,-0.3 -12,-1.3 187,-0.2 -0.336 23.4-123.8 -80.6 169.4 44.8 186.5 3.5 464 470 A V E -Q 649 0M 26 185,-3.5 185,-3.9 -13,-0.1 2,-0.4 -0.803 17.7-126.9-114.8 157.5 48.4 187.6 4.0 465 471 A Q E -QR 648 686M 0 221,-2.6 221,-2.2 -2,-0.3 2,-0.5 -0.860 13.2-167.1-113.7 140.1 50.3 188.2 7.3 466 472 A A E -QR 647 685M 0 181,-2.8 181,-2.7 -2,-0.4 2,-0.5 -0.967 10.3-171.0-123.1 112.1 52.2 191.2 8.5 467 473 A G E +QR 646 684M 3 217,-2.9 217,-2.3 -2,-0.5 2,-0.4 -0.922 5.1 179.7-108.6 124.3 54.4 190.6 11.6 468 474 A I E -QR 645 683M 0 177,-2.4 177,-2.6 -2,-0.5 2,-0.4 -0.982 2.0-178.2-126.0 132.1 56.0 193.5 13.3 469 475 A D E -QR 644 682M 42 213,-2.4 213,-2.4 -2,-0.4 175,-0.3 -0.984 31.7-112.3-130.7 137.7 58.3 193.3 16.4 470 476 A A E > - R 0 681M 2 173,-3.1 3,-0.6 -2,-0.4 2,-0.5 -0.479 37.9-115.8 -69.7 136.1 59.9 196.2 18.3 471 477 A S T 3 S- 0 0 29 209,-2.2 209,-0.4 1,-0.2 5,-0.1 -0.628 78.6 -30.5 -81.1 120.2 63.7 196.2 18.0 472 478 A G T >> S+ 0 0 12 -2,-0.5 4,-2.1 3,-0.1 3,-0.5 0.835 82.7 174.7 41.5 42.7 65.7 195.6 21.2 473 479 A L H <> + 0 0 11 -3,-0.6 4,-2.0 1,-0.2 3,-0.3 0.878 68.0 40.0 -44.1 -61.4 62.9 197.2 23.1 474 480 A E H 3> S+ 0 0 17 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.771 114.1 53.9 -69.0 -22.8 64.0 196.8 26.7 475 481 A L H <> S+ 0 0 1 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.828 109.2 49.1 -76.8 -30.6 67.6 197.5 25.9 476 482 A R H X S+ 0 0 23 -4,-2.1 4,-2.5 -3,-0.3 -2,-0.2 0.855 108.2 54.1 -73.4 -33.7 66.5 200.8 24.3 477 483 A C H X S+ 0 0 0 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.902 107.7 50.9 -63.2 -40.4 64.5 201.4 27.4 478 484 A L H X S+ 0 0 4 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.934 108.7 50.6 -61.5 -46.7 67.7 200.9 29.4 479 485 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 12,-0.3 0.911 109.3 52.5 -58.0 -43.4 69.5 203.4 27.1 480 486 A H H >< S+ 0 0 29 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.963 111.7 44.3 -56.6 -55.7 66.7 205.9 27.7 481 487 A F H 3< S+ 0 0 48 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.719 115.0 46.3 -66.9 -24.7 66.9 205.6 31.5 482 488 A M H >X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 3,-1.8 0.482 84.3 93.9 -97.7 2.8 70.7 205.7 31.8 483 489 A A H < S- 0 0 21 -4,-2.3 3,-1.0 -7,-0.2 -3,-0.2 0.285 101.0-116.5-120.0 9.2 76.0 208.6 30.2 487 493 A N T 3< S- 0 0 136 -4,-1.8 -4,-0.2 -5,-0.3 -3,-0.2 0.868 75.1 -53.4 57.0 42.4 74.5 211.4 28.1 488 494 A G T 3> S+ 0 0 15 -9,-0.2 4,-1.4 -8,-0.1 -1,-0.2 0.634 98.8 136.6 71.8 13.6 72.8 209.0 25.6 489 495 A E H X> S+ 0 0 116 -3,-1.0 4,-2.3 1,-0.2 3,-0.6 0.945 77.6 38.9 -56.8 -52.0 76.1 207.2 24.9 490 496 A Y H 3> S+ 0 0 13 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.879 109.9 61.7 -66.8 -36.8 74.4 203.8 25.0 491 497 A A H 34 S+ 0 0 10 -12,-0.3 187,-0.3 1,-0.2 4,-0.3 0.775 111.5 39.9 -59.6 -26.6 71.4 205.2 23.2 492 498 A H H X< S+ 0 0 141 -4,-1.4 3,-0.8 -3,-0.6 -2,-0.2 0.862 114.0 51.2 -89.1 -42.8 73.7 206.0 20.3 493 499 A E H >< S+ 0 0 49 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.885 100.3 66.2 -60.5 -40.7 75.9 202.8 20.5 494 500 A I T 3< S+ 0 0 3 -4,-2.9 5,-0.3 1,-0.3 -1,-0.2 0.739 98.5 50.9 -56.6 -28.7 72.8 200.6 20.4 495 501 A L T < S+ 0 0 69 -3,-0.8 2,-1.3 -4,-0.3 -1,-0.3 0.267 79.4 102.0 -98.1 16.6 71.8 201.5 16.9 496 502 A N S < S- 0 0 114 -3,-2.0 -1,-0.1 1,-0.1 2,-0.0 -0.656 106.4 -41.2 -95.4 76.8 75.2 200.9 15.4 497 503 A G S S- 0 0 55 -2,-1.3 2,-0.2 4,-0.0 -1,-0.1 -0.124 109.4 -31.0 85.5 168.5 74.2 197.5 13.9 498 504 A D > - 0 0 61 1,-0.1 4,-2.1 -3,-0.1 5,-0.1 -0.399 54.6-149.0 -62.0 126.8 72.1 194.9 15.7 499 505 A I H > S+ 0 0 7 -5,-0.3 4,-2.0 1,-0.2 5,-0.2 0.891 94.8 48.3 -63.1 -42.9 72.7 195.2 19.4 500 506 A H H > S+ 0 0 4 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.891 113.2 46.3 -68.4 -39.6 72.1 191.5 20.2 501 507 A T H > S+ 0 0 52 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.873 110.6 54.6 -68.9 -35.0 74.4 190.3 17.4 502 508 A K H X S+ 0 0 59 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.900 114.9 39.8 -64.1 -38.5 77.0 192.8 18.6 503 509 A N H X S+ 0 0 12 -4,-2.0 4,-2.5 2,-0.2 5,-0.3 0.882 108.6 61.5 -76.1 -40.2 76.7 191.3 22.0 504 510 A Q H X>S+ 0 0 31 -4,-3.1 5,-2.6 2,-0.2 4,-0.7 0.934 111.0 39.8 -49.5 -52.3 76.5 187.7 20.7 505 511 A I H ><5S+ 0 0 120 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.960 114.7 51.0 -63.5 -54.2 79.9 188.1 19.1 506 512 A A H 3<5S+ 0 0 38 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.778 116.0 43.1 -56.1 -28.4 81.5 190.0 22.0 507 513 A A H 3<5S- 0 0 1 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.538 109.6-126.5 -94.2 -9.3 80.2 187.3 24.4 508 514 A E T <<5 + 0 0 149 -3,-1.4 -3,-0.2 -4,-0.7 -4,-0.1 0.958 51.8 160.5 62.1 53.4 81.3 184.5 22.0 509 515 A L < - 0 0 19 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.793 44.8-129.8-108.0 150.5 77.8 182.9 22.0 510 516 A P S S+ 0 0 105 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.921 84.0 26.8 -62.9 -52.6 76.4 180.5 19.4 511 517 A T > - 0 0 71 1,-0.1 4,-1.2 -7,-0.0 5,-0.1 -0.732 68.8-126.3-115.8 164.9 73.1 182.1 18.6 512 518 A R H > S+ 0 0 83 -2,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.860 114.2 57.3 -72.2 -36.0 71.6 185.5 18.6 513 519 A D H > S+ 0 0 62 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.896 103.3 52.8 -60.5 -40.5 68.7 184.1 20.8 514 520 A N H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.877 105.2 54.9 -63.1 -36.3 71.3 183.0 23.3 515 521 A A H X S+ 0 0 0 -4,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.868 108.4 50.4 -64.7 -34.7 72.7 186.6 23.4 516 522 A K H X S+ 0 0 71 -4,-1.6 4,-2.1 2,-0.2 5,-0.3 0.934 110.2 45.4 -70.0 -48.1 69.2 187.8 24.2 517 523 A T H X S+ 0 0 71 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.810 116.5 50.6 -67.1 -25.9 68.5 185.5 27.1 518 524 A F H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.2 5,-0.2 0.959 110.1 45.0 -73.3 -55.1 72.0 186.3 28.4 519 525 A I H X S+ 0 0 8 -4,-2.6 4,-3.6 1,-0.2 -2,-0.2 0.899 118.6 43.0 -59.5 -42.0 71.9 190.1 28.2 520 526 A Y H X S+ 0 0 48 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.853 114.0 49.5 -74.0 -34.9 68.4 190.2 29.9 521 527 A G H <>S+ 0 0 20 -4,-1.3 5,-2.7 -5,-0.3 -2,-0.2 0.901 117.5 43.7 -68.2 -37.6 69.2 187.6 32.5 522 528 A F H ><5S+ 0 0 3 -4,-2.8 3,-1.9 3,-0.2 -2,-0.2 0.975 113.0 49.3 -67.6 -56.8 72.4 189.6 33.2 523 529 A L H 3<5S+ 0 0 2 -4,-3.6 -2,-0.2 1,-0.3 -1,-0.2 0.844 112.0 50.8 -53.1 -37.1 70.7 193.0 33.1 524 530 A Y T 3<5S- 0 0 36 -4,-2.1 -1,-0.3 -5,-0.2 76,-0.2 0.312 128.3 -82.4 -90.0 9.4 68.0 191.8 35.5 525 531 A G T < 5 + 0 0 32 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.642 61.4 167.6 107.6 14.9 70.1 190.3 38.2 526 532 A A < - 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