==== 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 CELL INVASION 19-MAY-05 1ZRL . COMPND 2 MOLECULE: ERYTHROCYTE BINDING ANTIGEN REGION II; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR N.H.TOLIA,E.J.ENEMARK,B.K.SIM,L.JOSHUA-TOR . 583 3 12 9 3 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32488.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 411 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 30 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 295 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 1 3 2 0 0 1 0 0 0 0 1 0 1 2 1 0 2 0 3 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A N 0 0 114 0, 0.0 3,-0.5 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 45.1 -13.5 8.8 37.3 2 9 A E + 0 0 175 1,-0.2 3,-0.2 2,-0.1 4,-0.1 0.234 360.0 80.8 -96.8 11.0 -11.9 6.4 34.7 3 10 A V S > S+ 0 0 42 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.625 73.0 76.4 -87.5 -16.7 -11.7 9.4 32.3 4 11 A L G > S+ 0 0 10 -3,-0.5 3,-2.7 1,-0.3 -1,-0.2 0.794 76.0 76.4 -63.0 -27.6 -8.6 10.6 34.1 5 12 A S G 3 S+ 0 0 81 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.774 81.1 71.6 -54.2 -26.7 -6.6 7.8 32.3 6 13 A N G < + 0 0 101 -3,-1.6 2,-1.1 -4,-0.1 -1,-0.3 0.548 66.7 108.5 -68.6 -9.0 -6.9 10.1 29.3 7 14 A a S < S- 0 0 16 -3,-2.7 3,-0.1 -4,-0.1 31,-0.1 -0.609 72.3-134.0 -73.5 101.7 -4.3 12.5 30.8 8 15 A R - 0 0 198 -2,-1.1 2,-0.1 1,-0.1 -1,-0.1 0.063 22.5 -83.2 -55.8 161.0 -1.3 11.9 28.6 9 16 A E - 0 0 173 1,-0.1 -1,-0.1 61,-0.0 59,-0.1 -0.379 56.4-104.0 -64.0 139.6 2.3 11.3 29.6 10 17 A K - 0 0 19 57,-0.3 2,-0.3 -3,-0.1 -1,-0.1 -0.291 24.6-125.2 -68.7 150.7 4.2 14.6 30.2 11 18 A R - 0 0 95 21,-0.1 2,-0.3 2,-0.1 4,-0.1 -0.738 24.6-136.8 -91.7 144.5 6.7 16.0 27.7 12 19 A K + 0 0 130 -2,-0.3 2,-0.1 2,-0.1 60,-0.0 -0.785 57.3 60.7-103.4 147.0 10.1 16.7 29.1 13 20 A G S S- 0 0 62 -2,-0.3 2,-1.2 2,-0.0 19,-0.1 -0.183 91.0 -68.0 118.8 150.0 11.9 19.9 28.2 14 21 A M + 0 0 28 164,-0.1 2,-0.4 -2,-0.1 -2,-0.1 -0.609 66.8 156.7 -73.5 100.1 11.6 23.7 28.5 15 22 A K - 0 0 99 -2,-1.2 17,-2.7 -4,-0.1 2,-0.5 -0.991 20.2-174.0-133.0 124.4 8.8 24.3 26.1 16 23 A W E -A 31 0A 13 -2,-0.4 2,-0.8 15,-0.2 208,-0.1 -0.982 17.1-143.4-124.1 126.3 6.5 27.3 26.2 17 24 A D E -A 30 0A 51 13,-3.1 13,-2.3 -2,-0.5 2,-1.2 -0.749 12.0-169.5 -85.6 103.8 3.4 27.8 24.0 18 25 A b E +A 29 0A 34 -2,-0.8 11,-0.2 11,-0.3 2,-0.2 -0.723 29.9 154.4 -97.7 91.7 3.0 31.4 23.0 19 26 A K E -A 28 0A 58 9,-1.4 9,-2.2 -2,-1.2 2,-0.4 -0.574 40.7-131.9-112.5 174.3 -0.5 31.4 21.5 20 27 A K E -A 27 0A 87 7,-0.2 7,-0.2 -2,-0.2 3,-0.1 -0.995 7.9-149.9-128.2 125.8 -3.4 33.8 20.8 21 28 A K S S- 0 0 122 5,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.972 74.5 -28.5 -59.4 -54.5 -6.9 32.8 21.7 22 29 A N S > S- 0 0 34 4,-0.1 3,-2.2 0, 0.0 -1,-0.2 -0.919 72.9 -82.2-154.5 174.7 -8.5 34.9 18.9 23 30 A D T 3 S+ 0 0 163 1,-0.3 -2,-0.0 -2,-0.3 0, 0.0 0.510 123.9 59.8 -65.0 -2.9 -7.9 38.0 16.8 24 31 A R T 3 S+ 0 0 205 2,-0.1 -1,-0.3 -4,-0.0 2,-0.1 0.505 102.3 62.7 -99.3 -8.4 -9.3 40.0 19.7 25 32 A S S < S- 0 0 37 -3,-2.2 2,-0.2 1,-0.1 -5,-0.1 -0.375 75.8-117.6-108.0-172.4 -6.7 38.9 22.2 26 33 A N - 0 0 127 -2,-0.1 -5,-0.5 1,-0.1 -4,-0.1 -0.721 42.3 -78.1-120.1 170.6 -3.0 39.1 22.7 27 34 A Y E -A 20 0A 110 -2,-0.2 2,-0.4 -7,-0.2 -7,-0.2 -0.400 42.7-171.4 -69.0 145.6 -0.3 36.5 22.9 28 35 A V E -A 19 0A 30 -9,-2.2 -9,-1.4 -11,-0.1 2,-0.6 -0.996 16.3-139.4-137.5 132.1 0.0 34.7 26.2 29 36 A b E -A 18 0A 2 -2,-0.4 -11,-0.3 -11,-0.2 71,-0.1 -0.880 22.6-175.0-100.4 127.0 2.9 32.4 26.9 30 37 A I E -A 17 0A 0 -13,-2.3 -13,-3.1 -2,-0.6 2,-0.1 -0.970 25.0-120.0-123.5 129.6 1.9 29.3 28.7 31 38 A P E >> -A 16 0A 2 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.390 22.7-123.6 -68.2 143.0 4.3 26.6 29.9 32 39 A D H 3> S+ 0 0 10 -17,-2.7 4,-1.9 1,-0.3 -21,-0.1 0.770 111.4 67.4 -57.6 -25.1 3.8 23.1 28.5 33 40 A R H 34 S+ 0 0 11 -18,-0.3 -1,-0.3 1,-0.2 -17,-0.1 0.910 106.3 40.8 -61.7 -41.1 3.4 21.9 32.1 34 41 A R H X4 S+ 0 0 1 -3,-1.3 3,-2.8 2,-0.2 -2,-0.2 0.925 107.6 60.1 -70.4 -47.0 0.2 23.9 32.2 35 42 A I H 3< S+ 0 0 43 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.856 113.9 40.1 -49.7 -35.3 -0.9 23.0 28.7 36 43 A Q T 3< S+ 0 0 27 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.252 80.0 140.8-101.0 12.6 -0.8 19.4 30.0 37 44 A L < - 0 0 7 -3,-2.8 2,-0.7 1,-0.1 3,-0.2 -0.332 63.5-111.9 -54.5 130.4 -2.3 20.1 33.4 38 45 A a + 0 0 2 1,-0.2 26,-0.2 22,-0.1 -1,-0.1 -0.563 69.4 130.5 -72.0 110.0 -4.6 17.1 34.1 39 46 A I >> + 0 0 8 -2,-0.7 3,-1.3 2,-0.1 4,-1.1 0.370 23.6 116.6-140.2 -1.6 -8.1 18.6 34.0 40 47 A V H 3> S+ 0 0 5 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.763 76.3 54.5 -45.5 -36.8 -10.1 16.4 31.7 41 48 A N H 3> S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.891 104.4 55.5 -69.2 -33.7 -12.5 15.2 34.4 42 49 A L H <4 S+ 0 0 0 -3,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.789 114.8 40.1 -65.3 -27.9 -13.4 18.8 35.2 43 50 A A H < S+ 0 0 4 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.728 123.5 34.2 -95.5 -21.0 -14.3 19.3 31.6 44 51 A I H < S+ 0 0 78 -4,-1.8 2,-0.2 -5,-0.2 -3,-0.2 0.857 91.6 83.6-102.4 -45.2 -16.1 16.1 30.8 45 52 A I S < S- 0 0 44 -4,-1.6 11,-0.0 -5,-0.2 2,-0.0 -0.483 81.6-110.2 -73.6 131.3 -18.0 14.7 33.7 46 53 A K - 0 0 146 -2,-0.2 2,-0.4 1,-0.0 -1,-0.1 -0.346 44.7-179.1 -57.1 129.7 -21.5 15.9 34.4 47 54 A T + 0 0 16 1,-0.1 -1,-0.0 -5,-0.1 3,-0.0 -0.966 24.9 173.3-142.5 125.3 -21.4 17.9 37.6 48 55 A Y + 0 0 176 -2,-0.4 2,-0.2 1,-0.0 -1,-0.1 0.812 62.3 52.0 -98.2 -31.2 -24.1 19.7 39.6 49 56 A T > - 0 0 55 1,-0.1 4,-1.7 70,-0.0 5,-0.1 -0.720 68.1-129.4-115.9 159.4 -22.4 21.0 42.8 50 57 A K H > S+ 0 0 36 -2,-0.2 4,-2.5 66,-0.2 5,-0.2 0.861 110.8 57.4 -67.3 -34.6 -19.4 22.9 44.1 51 58 A E H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.935 108.1 43.5 -63.1 -48.1 -18.7 20.0 46.4 52 59 A T H > S+ 0 0 56 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.850 112.3 54.2 -68.3 -30.6 -18.4 17.4 43.7 53 60 A M H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.907 105.7 53.1 -69.4 -38.8 -16.4 19.8 41.6 54 61 A K H X S+ 0 0 35 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.922 108.2 51.8 -61.9 -39.2 -14.0 20.2 44.5 55 62 A D H X S+ 0 0 73 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.893 107.2 51.2 -66.0 -36.8 -13.7 16.4 44.6 56 63 A H H X S+ 0 0 28 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.891 106.2 55.1 -66.5 -39.3 -12.9 16.2 40.8 57 64 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.932 110.5 47.3 -56.2 -44.5 -10.1 18.8 41.2 58 65 A I H X S+ 0 0 7 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.966 112.1 46.4 -63.4 -54.4 -8.6 16.6 43.9 59 66 A E H X S+ 0 0 63 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.891 112.9 52.8 -55.2 -39.6 -8.7 13.4 42.0 60 67 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.943 106.1 51.7 -62.0 -48.9 -7.3 15.2 39.0 61 68 A S H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.864 105.3 57.8 -56.8 -36.0 -4.4 16.6 41.0 62 69 A K H X S+ 0 0 83 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.958 108.6 43.8 -59.8 -50.8 -3.6 13.0 42.1 63 70 A K H X S+ 0 0 39 -4,-1.8 4,-2.5 1,-0.2 5,-0.2 0.905 113.1 52.9 -60.5 -40.9 -3.3 11.8 38.6 64 71 A E H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.926 108.6 49.8 -58.7 -46.2 -1.2 14.9 37.8 65 72 A S H X S+ 0 0 1 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.945 110.4 51.2 -55.3 -52.6 1.1 14.1 40.7 66 73 A Q H >X S+ 0 0 76 -4,-2.5 4,-1.5 1,-0.2 3,-1.4 0.965 113.4 42.3 -48.1 -66.0 1.5 10.6 39.5 67 74 A L H 3X S+ 0 0 21 -4,-2.5 4,-1.4 1,-0.3 -57,-0.3 0.753 107.2 61.7 -58.5 -28.3 2.4 11.6 35.9 68 75 A L H 3X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.2 -1,-0.3 0.782 103.3 51.7 -71.0 -24.6 4.7 14.4 37.0 69 76 A L H X<>S+ 0 0 15 -3,-1.4 5,-1.5 -4,-1.2 3,-0.6 0.963 108.2 48.1 -73.5 -53.5 6.9 11.8 38.8 70 77 A K H ><5S+ 0 0 140 -4,-1.5 3,-1.0 1,-0.3 -2,-0.2 0.818 108.0 59.3 -55.3 -29.1 7.3 9.6 35.8 71 78 A K H 3<5S+ 0 0 36 -4,-1.4 2,-0.6 1,-0.3 -1,-0.3 0.925 100.0 54.5 -65.2 -44.0 8.1 12.7 34.0 72 79 A N T X<5S- 0 0 12 -4,-1.3 3,-3.0 -3,-0.6 -1,-0.3 -0.095 125.0-102.2 -82.1 36.4 11.0 13.4 36.3 73 80 A D T < 5 - 0 0 94 -3,-1.0 -3,-0.2 -2,-0.6 -2,-0.1 0.872 68.5 -69.6 43.0 44.5 12.4 9.9 35.5 74 81 A N T 3 > S- 0 0 73 -5,-0.2 3,-1.7 78,-0.1 4,-1.5 -0.264 80.8 -77.4 -93.4-176.3 14.8 16.2 43.3 78 85 A S H 3> S+ 0 0 86 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.705 123.5 69.2 -51.9 -25.9 13.9 19.9 43.1 79 86 A K H 3> S+ 0 0 143 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.903 106.4 39.8 -62.4 -38.6 13.0 19.5 39.4 80 87 A F H <> S+ 0 0 2 -3,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.885 112.5 53.4 -77.1 -42.8 10.0 17.5 40.6 81 88 A c H X S+ 0 0 14 -4,-1.5 4,-2.4 1,-0.2 3,-0.3 0.920 107.0 53.6 -59.5 -42.9 9.1 19.6 43.6 82 89 A N H X S+ 0 0 89 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.881 106.8 52.2 -58.8 -39.9 9.0 22.7 41.4 83 90 A D H X S+ 0 0 13 -4,-1.1 4,-2.0 -5,-0.2 -1,-0.2 0.830 109.5 48.8 -66.1 -34.0 6.5 20.9 39.0 84 91 A L H X S+ 0 0 0 -4,-1.7 4,-2.3 -3,-0.3 -2,-0.2 0.896 110.9 50.8 -72.4 -41.1 4.2 20.0 41.9 85 92 A K H X S+ 0 0 65 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.896 115.2 41.6 -62.2 -42.2 4.3 23.6 43.2 86 93 A N H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.859 115.1 48.1 -77.5 -37.2 3.4 25.1 39.8 87 94 A S H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.924 112.4 51.0 -68.8 -41.1 0.8 22.6 38.8 88 95 A F H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.891 111.7 47.4 -61.7 -38.9 -0.8 23.0 42.3 89 96 A L H X S+ 0 0 9 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.894 108.7 55.0 -68.1 -38.0 -0.8 26.8 41.8 90 97 A D H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.890 102.5 55.9 -61.7 -41.1 -2.3 26.4 38.3 91 98 A Y H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -1,-0.2 0.896 107.6 50.4 -57.5 -42.1 -5.2 24.4 39.7 92 99 A G H X S+ 0 0 0 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.875 107.2 52.4 -65.6 -37.0 -6.0 27.2 42.0 93 100 A H H X>S+ 0 0 7 -4,-1.9 5,-2.0 2,-0.2 6,-0.8 0.881 112.1 46.9 -67.8 -32.1 -5.9 29.7 39.2 94 101 A L H ><5S+ 0 0 1 -4,-2.0 3,-1.2 2,-0.2 -2,-0.2 0.962 112.4 48.4 -70.2 -51.6 -8.4 27.5 37.4 95 102 A A H 3<5S+ 0 0 0 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.878 114.0 49.2 -54.3 -37.4 -10.6 27.1 40.4 96 103 A M H 3<5S- 0 0 19 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.639 111.6-119.7 -82.5 -12.4 -10.5 30.8 40.9 97 104 A G T <<5S+ 0 0 16 -3,-1.2 -3,-0.2 -4,-0.7 -4,-0.1 0.624 88.2 95.5 88.7 9.9 -11.3 31.8 37.4 98 105 A N < + 0 0 74 -5,-2.0 2,-0.2 -6,-0.2 -4,-0.2 0.125 43.0 137.0-123.1 27.2 -8.2 33.7 36.4 99 106 A D - 0 0 24 -6,-0.8 -9,-0.0 -5,-0.2 -8,-0.0 -0.523 48.5-142.4 -71.3 136.6 -6.0 31.0 34.7 100 107 A M S S+ 0 0 31 -2,-0.2 -1,-0.1 -71,-0.1 -70,-0.0 0.568 70.3 92.8 -80.8 -10.7 -4.3 32.3 31.6 101 108 A D - 0 0 16 5,-0.0 2,-0.3 -72,-0.0 -72,-0.0 -0.271 54.4-178.6 -75.3 169.2 -4.6 29.2 29.4 102 109 A F + 0 0 34 -2,-0.0 4,-0.2 8,-0.0 3,-0.1 -0.984 28.8 49.3-161.6 168.2 -7.6 28.7 27.0 103 110 A G S >> S+ 0 0 29 -2,-0.3 4,-1.7 1,-0.2 3,-1.0 -0.053 86.7 26.0 84.2 168.1 -9.3 26.4 24.6 104 111 A G H 3> S- 0 0 60 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 -0.012 130.9 -7.4 44.5-129.7 -10.0 22.6 24.7 105 112 A Y H 3> S+ 0 0 108 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.842 132.4 63.4 -68.2 -30.8 -10.6 21.3 28.2 106 113 A S H <> S+ 0 0 9 -3,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.957 107.5 42.6 -57.4 -49.5 -9.5 24.6 29.8 107 114 A T H X S+ 0 0 50 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.944 116.8 46.6 -61.5 -49.3 -12.4 26.3 28.2 108 115 A K H X S+ 0 0 117 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.932 113.2 48.9 -60.6 -45.2 -14.8 23.5 29.0 109 116 A A H X S+ 0 0 0 -4,-3.7 4,-2.3 1,-0.2 -1,-0.2 0.916 111.3 50.5 -59.3 -44.4 -13.6 23.3 32.6 110 117 A E H X S+ 0 0 38 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.919 112.2 46.7 -61.4 -44.5 -13.9 27.0 33.0 111 118 A N H X S+ 0 0 72 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.937 109.8 53.7 -66.4 -40.0 -17.4 27.0 31.7 112 119 A K H X S+ 0 0 30 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.908 108.4 49.2 -61.0 -41.6 -18.4 24.0 33.9 113 120 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.930 110.4 51.3 -62.5 -43.6 -17.2 25.8 37.1 114 121 A Q H X S+ 0 0 80 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.917 108.5 52.5 -59.7 -42.8 -19.1 28.9 36.1 115 122 A E H X S+ 0 0 125 -4,-2.6 4,-1.9 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0.906 113.5 51.9 -55.7 -45.4 26.9 37.9 20.6 268 276 A E H X S+ 0 0 65 -4,-3.3 4,-1.4 1,-0.2 -1,-0.3 0.881 112.3 48.8 -61.9 -33.5 27.6 34.3 21.4 269 277 A Y H X S+ 0 0 21 -4,-2.6 4,-2.6 -3,-0.2 5,-0.3 0.934 109.5 48.6 -70.0 -49.5 25.5 33.4 18.4 270 278 A S H X S+ 0 0 33 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.919 107.7 57.8 -55.6 -47.0 27.1 35.8 15.9 271 279 A K H < S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.907 121.6 22.8 -49.7 -53.5 30.6 34.6 16.9 272 280 A Y H < S+ 0 0 29 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.643 131.7 37.1 -93.0 -15.9 30.0 31.0 16.1 273 281 A f H < S+ 0 0 9 -4,-2.6 2,-0.6 -5,-0.2 -3,-0.2 0.600 80.6 99.9-118.1 -12.5 27.2 31.2 13.5 274 282 A D S < S- 0 0 9 -4,-2.1 2,-0.3 -5,-0.3 -72,-0.2 -0.693 70.8-127.8 -82.6 118.3 27.5 34.2 11.3 275 283 A e > > - 0 0 5 -2,-0.6 5,-2.1 -73,-0.4 3,-0.8 -0.499 20.3-144.6 -62.8 122.0 28.9 33.3 7.9 276 284 A K T 3 >S+ 0 0 84 -2,-0.3 5,-0.6 1,-0.2 -1,-0.1 0.844 90.6 50.1 -61.3 -42.7 31.8 35.8 7.5 277 285 A H T 3 5S+ 0 0 2 3,-0.1 -1,-0.2 27,-0.1 31,-0.1 0.588 129.5 13.8 -78.1 -6.8 31.7 36.5 3.8 278 286 A T T <>5S+ 0 0 1 -3,-0.8 4,-2.7 3,-0.1 5,-0.2 0.589 129.8 34.0-127.4 -72.1 27.9 37.2 3.7 279 287 A T H >5S+ 0 0 16 -4,-0.4 4,-2.9 2,-0.2 5,-0.2 0.945 120.6 47.5 -56.4 -53.7 26.1 37.8 7.1 280 288 A T H >X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 3,-1.1 0.940 112.5 50.6 -61.6 -45.5 25.9 42.7 5.5 283 291 A K H 3X S+ 0 0 74 -4,-2.9 4,-2.4 1,-0.3 -1,-0.2 0.859 103.6 58.1 -58.8 -39.9 25.7 43.4 9.3 284 292 A S H 3< S+ 0 0 57 -4,-2.0 -1,-0.3 -5,-0.2 5,-0.2 0.685 113.3 40.4 -66.6 -17.1 28.7 45.7 9.2 285 293 A V H X< S+ 0 0 7 -3,-1.1 3,-0.6 -4,-0.8 -2,-0.2 0.853 117.6 43.1 -97.6 -45.0 27.1 47.9 6.6 286 294 A L H 3< S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.871 126.0 34.4 -69.5 -37.9 23.5 48.0 7.9 287 295 A N T 3< S+ 0 0 130 -4,-2.4 -1,-0.3 -5,-0.3 -3,-0.1 0.173 97.7 132.5 -98.2 13.6 24.6 48.5 11.5 288 296 A G < - 0 0 20 -3,-0.6 2,-0.4 1,-0.1 -3,-0.1 -0.236 60.6-114.5 -65.3 156.0 27.5 50.5 10.3 289 297 A N > - 0 0 81 -5,-0.2 3,-2.2 1,-0.1 -1,-0.1 -0.756 13.4-130.1 -94.5 138.9 28.3 53.8 11.8 290 298 A D T 3 S+ 0 0 129 -2,-0.4 -1,-0.1 1,-0.3 170,-0.1 0.566 107.0 62.3 -62.8 -8.1 27.9 57.0 9.7 291 299 A N T 3 S+ 0 0 119 168,-0.0 -1,-0.3 2,-0.0 168,-0.0 0.325 73.1 140.2 -99.4 7.2 31.5 58.0 10.8 292 300 A T < - 0 0 26 -3,-2.2 5,-0.0 1,-0.1 -4,-0.0 -0.257 57.4-112.4 -56.9 133.6 33.0 54.9 9.1 293 301 A I > - 0 0 94 1,-0.1 4,-0.7 3,-0.0 3,-0.2 -0.058 25.8-109.7 -56.6 165.8 36.3 55.8 7.5 294 302 A K H > S+ 0 0 108 1,-0.2 4,-1.4 2,-0.2 3,-0.2 0.838 116.2 58.9 -70.5 -32.8 36.5 55.6 3.6 295 303 A E H > S+ 0 0 148 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.801 104.7 47.7 -68.4 -29.8 38.7 52.5 3.8 296 304 A K H 4 S+ 0 0 141 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.710 112.8 51.2 -83.0 -17.8 36.2 50.5 5.7 297 305 A R H < S+ 0 0 9 -4,-0.7 -2,-0.2 -3,-0.2 -1,-0.2 0.712 122.1 29.6 -86.3 -23.3 33.5 51.6 3.3 298 306 A E H < S+ 0 0 58 -4,-1.4 -2,-0.2 -5,-0.1 -3,-0.2 0.600 89.6 111.1-113.5 -16.1 35.5 50.6 0.2 299 307 A H < - 0 0 119 -4,-1.7 2,-0.5 -5,-0.2 74,-0.1 -0.356 45.8-159.6 -69.7 140.3 37.7 47.6 1.2 300 308 A I - 0 0 13 -2,-0.1 2,-0.9 73,-0.1 3,-0.1 -0.968 14.1-141.6-119.5 117.4 37.1 44.2 -0.1 301 309 A D > - 0 0 61 -2,-0.5 4,-2.4 1,-0.2 3,-0.4 -0.675 17.0-154.4 -75.6 109.2 38.6 41.2 1.8 302 310 A L H > S+ 0 0 72 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.817 88.1 54.5 -58.0 -36.5 39.6 39.0 -1.2 303 311 A D H > S+ 0 0 98 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 110.8 46.4 -66.5 -38.7 39.4 35.7 0.6 304 312 A D H > S+ 0 0 10 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.963 112.7 49.6 -64.9 -51.2 35.8 36.4 1.6 305 313 A F H X>S+ 0 0 4 -4,-2.4 5,-2.3 1,-0.2 4,-0.6 0.863 113.9 46.4 -55.6 -38.1 34.9 37.5 -1.9 306 314 A S H ><5S+ 0 0 47 -4,-2.1 3,-0.9 -5,-0.2 -1,-0.2 0.925 113.7 46.9 -71.7 -43.5 36.5 34.5 -3.3 307 315 A K H 3<5S+ 0 0 100 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.850 103.6 63.8 -66.1 -31.7 34.8 32.2 -0.7 308 316 A F H 3<5S- 0 0 2 -4,-3.1 40,-2.5 -5,-0.2 -1,-0.3 0.755 129.7 -97.1 -61.0 -28.0 31.5 34.0 -1.5 309 317 A G T <<5S+ 0 0 38 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.488 83.9 114.2 123.5 5.2 31.9 32.6 -4.9 310 318 A g < - 0 0 12 -5,-2.3 2,-0.6 35,-0.1 -1,-0.3 -0.489 69.0 -93.6-105.0 175.3 33.5 35.3 -7.1 311 319 A D > - 0 0 92 -2,-0.2 3,-1.6 1,-0.2 4,-0.3 -0.766 21.6-149.6 -91.7 119.9 36.8 35.8 -8.9 312 320 A K G > S+ 0 0 73 -2,-0.6 3,-1.7 1,-0.3 4,-0.2 0.872 96.3 60.7 -52.9 -40.7 39.5 37.6 -6.9 313 321 A N G >> S+ 0 0 108 1,-0.3 4,-2.1 2,-0.2 3,-1.3 0.710 88.8 70.4 -64.7 -19.8 40.9 39.0 -10.1 314 322 A S G <4 S+ 0 0 34 -3,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.648 80.7 75.5 -73.1 -12.3 37.7 40.8 -11.0 315 323 A V G <4 S+ 0 0 6 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.659 119.4 10.1 -72.7 -10.8 38.3 43.3 -8.2 316 324 A D T <4 S+ 0 0 109 -3,-1.3 -2,-0.2 -4,-0.2 -3,-0.1 0.626 109.0 86.5-128.0 -58.1 40.9 44.9 -10.4 317 325 A T < - 0 0 79 -4,-2.1 2,-0.5 1,-0.1 61,-0.1 -0.044 59.4-148.8 -50.6 150.8 40.8 43.6 -13.9 318 326 A N + 0 0 111 1,-0.1 -1,-0.1 -3,-0.0 -4,-0.1 -0.872 35.6 155.3-122.6 88.7 38.4 45.1 -16.5 319 327 A T + 0 0 91 -2,-0.5 -1,-0.1 -5,-0.1 -5,-0.0 0.932 37.4 78.5 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43.7 -47.8 -38.9 21.7 27.6 -24.0 330 338 A L T 3 S+ 0 0 125 2,-0.0 -1,-0.3 -3,-0.0 -4,-0.0 0.563 83.1 115.6 -89.0 -7.3 18.0 27.8 -24.4 331 339 A S < - 0 0 19 -3,-1.7 -5,-0.1 1,-0.1 3,-0.1 -0.330 50.3-159.0 -58.9 146.2 17.6 31.5 -25.0 332 340 A T + 0 0 129 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.505 68.3 50.9-106.3 -3.9 16.2 32.1 -28.5 333 341 A K S S- 0 0 119 -8,-0.1 2,-0.1 2,-0.0 -8,-0.1 -0.979 80.8-115.7-133.8 145.8 17.4 35.8 -29.0 334 342 A D - 0 0 75 -2,-0.3 2,-0.4 -8,-0.1 -8,-0.2 -0.480 27.5-155.3 -76.4 149.7 20.7 37.5 -28.7 335 343 A V E -B 325 0B 16 -10,-2.2 -10,-1.7 -2,-0.1 2,-0.8 -0.995 12.6-137.7-126.8 128.2 21.0 40.2 -26.0 336 344 A h E -B 324 0B 8 -2,-0.4 -12,-0.3 -12,-0.3 -14,-0.1 -0.774 32.7-170.0 -84.2 113.6 23.5 43.1 -26.1 337 345 A V E -B 323 0B 0 -14,-2.5 -14,-1.0 -2,-0.8 -2,-0.0 -0.874 21.7-120.5-111.2 135.1 24.6 43.2 -22.6 338 346 A P >> - 0 0 0 0, 0.0 4,-2.6 0, 0.0 3,-0.8 -0.409 18.9-128.6 -70.4 145.8 26.7 45.9 -21.1 339 347 A P H 3> S+ 0 0 20 0, 0.0 4,-2.8 0, 0.0 5,-0.2 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19.0 35.6 -18.2 410 418 A D > - 0 0 37 -2,-1.8 4,-2.4 -82,-0.1 -82,-0.2 -0.172 62.9 -82.3 -90.3-173.8 22.0 33.3 -17.8 411 419 A L H > S+ 0 0 94 -84,-0.4 4,-2.9 1,-0.2 5,-0.2 0.942 129.5 50.3 -58.4 -49.4 22.4 30.2 -15.6 412 420 A S H > S+ 0 0 49 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.914 110.7 49.9 -54.6 -45.7 23.2 32.2 -12.5 413 421 A N H > S+ 0 0 3 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.961 111.1 49.1 -57.4 -52.2 20.2 34.5 -13.0 414 422 A R H X S+ 0 0 86 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 113.4 46.5 -54.7 -44.6 17.9 31.5 -13.4 415 423 A K H X S+ 0 0 72 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.881 111.8 51.3 -68.6 -36.0 19.3 29.9 -10.3 416 424 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.955 112.8 43.9 -64.9 -50.1 19.0 33.2 -8.3 417 425 A V H X S+ 0 0 21 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.899 114.0 52.8 -61.8 -38.5 15.4 33.8 -9.3 418 426 A G H X S+ 0 0 30 -4,-2.3 4,-1.4 -5,-0.3 -1,-0.2 0.921 107.9 49.0 -64.0 -43.8 14.7 30.1 -8.6 419 427 A K H >< S+ 0 0 26 -4,-2.4 3,-0.5 1,-0.2 -64,-0.5 0.935 113.0 48.3 -60.1 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430 438 A N S > S- 0 0 67 -2,-0.7 4,-2.7 1,-0.0 5,-0.2 -0.902 72.8 -87.6-150.9 171.0 3.2 29.1 -10.8 431 439 A K H > S+ 0 0 189 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.884 123.3 53.1 -56.4 -41.0 5.0 31.9 -12.6 432 440 A Q H > S+ 0 0 154 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.909 113.4 40.7 -62.8 -44.6 2.3 34.4 -12.0 433 441 A N H > S+ 0 0 34 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.941 113.5 53.7 -72.1 -41.4 2.2 33.9 -8.3 434 442 A D H X S+ 0 0 10 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.906 110.0 48.5 -57.5 -42.2 6.0 33.7 -8.0 435 443 A K H X S+ 0 0 68 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.919 110.0 52.7 -61.5 -44.1 6.2 37.0 -9.8 436 444 A L H X S+ 0 0 71 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.921 111.0 46.6 -58.5 -46.0 3.6 38.4 -7.5 437 445 A F H X S+ 0 0 15 -4,-3.0 4,-3.1 2,-0.2 5,-0.2 0.933 111.0 50.6 -65.1 -45.7 5.7 37.3 -4.5 438 446 A R H X S+ 0 0 17 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.900 110.1 50.2 -63.5 -35.4 9.0 38.6 -5.8 439 447 A D H X S+ 0 0 58 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.881 112.7 47.8 -69.3 -35.2 7.4 42.0 -6.5 440 448 A 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0 0 76 -4,-1.4 4,-2.6 2,-0.2 3,-1.0 0.977 108.8 45.3 -58.4 -62.0 37.9 59.3 -28.2 491 499 A K H 3X S+ 0 0 147 -4,-1.4 4,-1.0 1,-0.3 -1,-0.2 0.876 113.1 55.0 -49.8 -40.3 40.4 56.9 -26.5 492 500 A M H 3X S+ 0 0 41 -4,-2.7 4,-0.5 2,-0.2 -1,-0.3 0.810 108.4 46.3 -64.1 -34.5 40.4 55.1 -29.8 493 501 A I H XX S+ 0 0 29 -4,-1.6 4,-2.1 -3,-1.0 3,-1.6 0.915 107.1 55.0 -76.5 -43.1 41.3 58.2 -31.8 494 502 A E H 3< S+ 0 0 111 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.782 101.5 64.8 -58.4 -23.7 44.1 59.3 -29.4 495 503 A T H 3X S+ 0 0 44 -4,-1.0 4,-0.8 -5,-0.3 3,-0.4 0.837 106.0 39.6 -67.6 -33.5 45.3 55.8 -30.2 496 504 A L H << S+ 0 0 1 -3,-1.6 2,-0.4 -4,-0.5 4,-0.3 0.756 103.7 69.2 -86.2 -26.5 45.8 56.8 -33.8 497 505 A K T < S+ 0 0 143 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.1 -0.063 113.1 29.3 -81.6 35.3 47.2 60.2 -32.8 498 506 A V T 4 S+ 0 0 106 -3,-0.4 2,-0.2 -2,-0.4 -2,-0.2 0.097 117.1 40.4-149.9 -87.9 50.2 58.4 -31.5 499 507 A E < 0 0 78 -4,-0.8 7,-0.3 7,-0.1 11,-0.2 0.286 360.0 360.0 -62.4 19.6 51.5 55.2 -32.9 500 508 A k 0 0 54 -4,-0.3 -3,-0.2 -2,-0.2 -4,-0.1 -0.195 360.0 360.0-153.3 360.0 50.6 56.8 -36.1 501 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 502 513 A C 0 0 116 0, 0.0 82,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 139.6 52.3 55.2 -43.3 503 514 A E + 0 0 142 1,-0.1 -3,-0.1 2,-0.0 81,-0.0 0.914 360.0 151.1 64.3 47.2 53.4 51.6 -42.6 504 515 A D - 0 0 85 -5,-0.1 2,-1.2 1,-0.0 3,-0.2 -0.153 56.4-129.5 -97.8 35.5 55.0 52.4 -39.2 505 516 A D S S+ 0 0 120 1,-0.3 4,-0.1 2,-0.1 -1,-0.0 0.369 102.5 59.7 26.7 9.6 54.1 48.7 -38.3 506 517 A N S > S+ 0 0 73 -2,-1.2 4,-1.6 -7,-0.3 -1,-0.3 0.526 99.5 55.2-120.6 -32.4 52.4 49.9 -35.1 507 518 A k H > S+ 0 0 2 -3,-0.2 4,-3.4 2,-0.2 5,-0.2 0.904 102.5 57.7 -67.8 -43.7 50.0 52.1 -36.9 508 519 A K H > S+ 0 0 87 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.914 108.1 44.1 -55.5 -48.6 48.8 49.1 -38.9 509 520 A R H > S+ 0 0 193 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 117.6 46.3 -66.4 -35.2 47.8 47.0 -35.9 510 521 A K H X S+ 0 0 71 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.856 113.8 49.3 -72.5 -36.4 46.2 50.0 -34.3 511 522 A l H X S+ 0 0 10 -4,-3.4 4,-2.9 2,-0.2 -2,-0.2 0.962 111.0 48.4 -65.3 -53.0 44.4 50.9 -37.6 512 523 A N H X S+ 0 0 90 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.884 111.5 51.5 -55.6 -40.6 43.2 47.3 -38.1 513 524 A S H X S+ 0 0 54 -4,-1.8 4,-3.0 2,-0.2 -1,-0.2 0.978 109.4 48.1 -59.7 -56.0 41.9 47.3 -34.5 514 525 A Y H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.3 -2,-0.2 0.894 111.7 52.1 -49.3 -46.0 40.0 50.6 -35.0 515 526 A K H X S+ 0 0 127 -4,-2.9 4,-1.9 1,-0.2 -1,-0.3 0.926 111.1 45.7 -58.7 -45.9 38.6 49.1 -38.2 516 527 A E H X S+ 0 0 125 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.893 111.8 53.5 -63.8 -40.5 37.5 46.0 -36.3 517 528 A W H X S+ 0 0 41 -4,-3.0 4,-3.2 2,-0.2 5,-0.3 0.918 106.8 49.6 -61.2 -48.1 36.0 48.1 -33.5 518 529 A I H X S+ 0 0 23 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.936 111.2 50.5 -59.4 -45.6 33.9 50.3 -35.8 519 530 A S H X S+ 0 0 65 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.926 113.3 45.4 -57.1 -48.6 32.5 47.2 -37.5 520 531 A K H X S+ 0 0 75 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.942 114.1 46.6 -62.4 -49.8 31.6 45.7 -34.1 521 532 A K H X S+ 0 0 6 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.891 109.7 57.4 -63.3 -33.9 30.1 48.8 -32.7 522 533 A K H X S+ 0 0 88 -4,-2.7 4,-2.1 -5,-0.3 -1,-0.2 0.919 108.7 43.8 -63.2 -42.0 28.2 49.2 -36.0 523 534 A E H X S+ 0 0 141 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.902 112.8 52.5 -70.2 -36.0 26.5 45.8 -35.6 524 535 A E H X S+ 0 0 9 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.907 110.5 48.9 -63.4 -41.9 25.8 46.3 -32.0 525 536 A Y H X S+ 0 0 13 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.912 110.5 48.6 -65.5 -46.9 24.1 49.6 -32.8 526 537 A N H X S+ 0 0 80 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.908 108.6 54.5 -61.9 -40.9 21.9 48.2 -35.6 527 538 A K H X S+ 0 0 60 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.917 113.7 41.5 -59.9 -42.8 20.8 45.3 -33.5 528 539 A Q H X S+ 0 0 3 -4,-1.8 4,-3.3 2,-0.2 -2,-0.2 0.923 113.6 51.2 -72.0 -41.8 19.6 47.7 -30.7 529 540 A A H X S+ 0 0 9 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.933 111.7 48.2 -60.6 -44.2 18.0 50.3 -33.1 530 541 A K H X S+ 0 0 153 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.937 113.6 47.3 -61.5 -44.3 16.1 47.5 -34.8 531 542 A Q H X S+ 0 0 23 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.916 109.1 54.2 -60.5 -46.5 15.0 46.2 -31.5 532 543 A Y H X S+ 0 0 0 -4,-3.3 4,-1.0 1,-0.2 -1,-0.2 0.908 110.7 46.5 -53.1 -47.9 14.0 49.7 -30.3 533 544 A Q H >X S+ 0 0 90 -4,-2.5 4,-2.4 1,-0.2 3,-0.9 0.928 107.0 56.8 -64.9 -43.7 11.9 50.0 -33.5 534 545 A E H 3X S+ 0 0 86 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.901 105.4 53.1 -55.1 -40.0 10.3 46.6 -32.9 535 546 A Y H 3<>S+ 0 0 12 -4,-2.3 5,-2.2 2,-0.2 -1,-0.3 0.792 107.0 51.6 -66.7 -27.0 9.2 47.8 -29.5 536 547 A Q H X<5S+ 0 0 58 -4,-1.0 3,-1.2 -3,-0.9 -2,-0.2 0.952 111.0 47.2 -72.7 -46.5 7.6 50.9 -31.1 537 548 A K H 3<5S+ 0 0 192 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.751 113.5 47.0 -64.8 -28.1 5.6 48.7 -33.5 538 549 A G T 3<5S- 0 0 43 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.354 106.5-126.1 -96.3 5.2 4.4 46.3 -30.9 539 550 A N T < 5 + 0 0 94 -3,-1.2 3,-0.3 1,-0.2 2,-0.2 0.938 52.8 162.5 48.9 53.0 3.4 49.0 -28.5 540 551 A N < + 0 0 66 -5,-2.2 -1,-0.2 1,-0.2 4,-0.1 -0.651 52.8 28.4 -98.1 157.9 5.6 47.5 -25.8 541 552 A Y S > S+ 0 0 66 -2,-0.2 3,-1.5 1,-0.1 -1,-0.2 0.940 72.9 173.0 57.1 50.2 6.7 49.4 -22.7 542 553 A K T 3 + 0 0 128 -3,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.829 68.5 60.3 -59.5 -39.2 3.6 51.6 -22.9 543 554 A M T 3 S+ 0 0 197 1,-0.2 2,-0.7 2,-0.1 -1,-0.3 0.441 91.8 77.8 -74.4 6.4 4.2 53.4 -19.6 544 555 A Y X + 0 0 9 -3,-1.5 3,-0.5 1,-0.2 4,-0.3 -0.856 55.6 167.9-114.0 94.1 7.4 54.7 -21.1 545 556 A S G >> + 0 0 77 -2,-0.7 3,-1.4 1,-0.2 4,-0.7 0.796 56.2 85.6 -78.2 -26.5 6.3 57.4 -23.4 546 557 A E G 34 S+ 0 0 72 1,-0.3 -1,-0.2 -3,-0.1 4,-0.2 0.720 97.6 35.8 -46.6 -33.2 9.8 58.9 -24.0 547 558 A F G <4 S+ 0 0 1 -3,-0.5 -1,-0.3 1,-0.1 3,-0.2 0.534 95.3 85.3-101.1 -8.7 10.7 56.5 -26.9 548 559 A K T <4 S+ 0 0 87 -3,-1.4 -2,-0.1 -4,-0.3 -1,-0.1 0.906 100.3 29.7 -59.1 -44.1 7.3 56.2 -28.5 549 560 A S S < S+ 0 0 115 -4,-0.7 2,-0.3 2,-0.1 -1,-0.2 0.490 110.1 70.2 -98.5 -7.7 7.5 59.3 -30.7 550 561 A I S S- 0 0 45 -4,-0.2 0, 0.0 -3,-0.2 0, 0.0 -0.769 77.1-113.5-113.6 160.9 11.2 59.5 -31.4 551 562 A K > - 0 0 131 -2,-0.3 4,-2.4 1,-0.1 3,-0.5 -0.450 33.5-107.7 -82.9 159.4 13.7 57.5 -33.5 552 563 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.885 119.4 53.9 -57.1 -41.4 16.6 55.5 -31.8 553 564 A E H > S+ 0 0 39 1,-0.2 4,-1.5 2,-0.2 15,-0.4 0.856 111.8 46.6 -62.6 -32.2 19.3 57.9 -33.0 554 565 A V H > S+ 0 0 61 -3,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.877 107.0 57.7 -74.8 -38.1 17.3 60.8 -31.4 555 566 A Y H X S+ 0 0 0 -4,-2.4 4,-3.2 1,-0.2 5,-0.3 0.942 109.2 44.8 -56.8 -48.6 16.8 58.7 -28.2 556 567 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 7,-0.2 0.874 110.2 54.1 -64.0 -39.1 20.5 58.4 -27.8 557 568 A K H < S+ 0 0 91 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.926 116.8 39.2 -62.5 -42.9 21.2 62.1 -28.6 558 569 A K H < S+ 0 0 145 -4,-2.8 -2,-0.2 1,-0.1 -3,-0.2 0.978 127.8 28.5 -71.2 -54.9 18.8 63.0 -25.9 559 570 A Y H < S+ 0 0 61 -4,-3.2 2,-1.2 -5,-0.2 -3,-0.2 0.530 96.8 81.9 -91.6 -7.1 19.6 60.4 -23.2 560 571 A S >< - 0 0 1 -4,-2.5 3,-2.2 -5,-0.3 -1,-0.1 -0.754 59.0-173.9 -96.4 89.6 23.2 59.5 -23.7 561 572 A E T 3 S+ 0 0 152 -2,-1.2 -1,-0.2 1,-0.3 -2,-0.0 0.727 77.9 60.1 -56.1 -22.4 24.7 62.5 -21.8 562 573 A K T 3 S+ 0 0 99 1,-0.1 2,-1.1 -3,-0.1 -1,-0.3 0.597 82.1 91.0 -85.7 -7.1 28.2 61.6 -22.8 563 574 A j < - 0 0 9 -3,-2.2 2,-0.7 -7,-0.2 3,-0.5 -0.708 67.8-155.0 -95.0 93.6 27.5 61.9 -26.5 564 575 A S - 0 0 91 -2,-1.1 3,-0.1 1,-0.3 -2,-0.1 -0.509 69.2 -37.0 -70.7 104.0 28.4 65.4 -27.5 565 576 A N S S+ 0 0 134 -2,-0.7 -1,-0.3 1,-0.2 2,-0.1 0.720 94.0 159.2 56.7 19.6 26.5 66.5 -30.6 566 577 A L - 0 0 23 -3,-0.5 2,-0.5 -9,-0.1 -1,-0.2 -0.440 31.2-154.4 -75.5 148.8 27.0 63.0 -32.0 567 578 A N >> - 0 0 57 -2,-0.1 3,-2.1 1,-0.1 4,-1.3 -0.830 6.8-170.0-127.6 93.3 24.6 61.9 -34.7 568 579 A F T 34 S+ 0 0 3 -2,-0.5 4,-0.3 -15,-0.4 -1,-0.1 0.701 81.5 69.2 -59.6 -22.7 24.2 58.1 -34.8 569 580 A E T 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.806 117.5 26.7 -65.1 -23.8 22.3 58.0 -38.1 570 581 A D T X4 S+ 0 0 46 -3,-2.1 3,-2.3 1,-0.1 6,-0.3 0.566 93.7 101.7-109.5 -14.4 25.7 59.1 -39.6 571 582 A E T 3< S+ 0 0 1 -4,-1.3 -3,-0.1 1,-0.3 -2,-0.1 0.569 81.7 49.4 -50.3 -16.4 28.1 57.6 -37.1 572 583 A F T 3 S+ 0 0 35 -4,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.247 84.2 103.1-113.1 17.7 29.1 54.6 -39.1 573 584 A K S X S- 0 0 102 -3,-2.3 3,-1.9 1,-0.1 -3,-0.0 -0.723 80.9-121.7 -91.6 143.9 29.8 56.4 -42.4 574 585 A E G > S+ 0 0 127 -2,-0.3 3,-2.5 1,-0.3 7,-0.2 0.871 107.2 72.9 -57.1 -35.1 33.5 56.8 -43.0 575 586 A E G 3 S+ 0 0 123 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.729 91.1 59.0 -51.6 -23.9 33.1 60.5 -43.2 576 587 A L G < S+ 0 0 57 -3,-1.9 -1,-0.3 -6,-0.3 -2,-0.2 0.211 96.0 62.9 -94.8 20.7 32.6 60.6 -39.4 577 588 A H <> + 0 0 10 -3,-2.5 4,-1.9 1,-0.1 3,-0.2 -0.423 59.8 157.4-138.1 58.0 36.0 59.0 -38.7 578 589 A S H > S+ 0 0 67 -3,-0.4 4,-1.8 1,-0.2 5,-0.3 0.925 72.8 50.4 -46.3 -62.2 38.3 61.7 -40.1 579 590 A D H > S+ 0 0 43 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.851 106.6 57.1 -51.0 -39.1 41.4 60.7 -38.1 580 591 A Y H > S+ 0 0 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