==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TOXIN, HYDROLASE 30-DEC-03 1S0G . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN TYPE B; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR S.ESWARAMOORTHY,D.KUMARAN,J.KELLER,S.SWAMINATHAN . 1288 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 851 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 239 18.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 113 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 302 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 1 5 3 1 0 0 2 3 1 0 0 1 0 0 2 0 0 0 0 1 1 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 13 11 9 8 5 3 3 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 9 3 0 1 0 1 1 1 0 0 1 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 P 0 0 146 0, 0.0 2,-0.4 0, 0.0 98,-0.0 0.000 360.0 360.0 360.0 179.8 40.9 6.4 47.1 2 2 A V - 0 0 6 97,-0.1 2,-0.5 37,-0.0 107,-0.0 -0.911 360.0-150.2-113.5 136.9 37.5 5.3 48.4 3 3 A T - 0 0 105 -2,-0.4 2,-0.6 37,-0.0 37,-0.2 -0.906 3.7-155.7-108.7 128.0 36.9 3.4 51.6 4 4 A I - 0 0 12 -2,-0.5 35,-0.2 35,-0.1 34,-0.1 -0.901 19.4-138.6-103.1 119.6 34.0 1.0 52.0 5 5 A N - 0 0 43 33,-2.6 2,-0.4 -2,-0.6 31,-0.0 -0.240 9.8-139.2 -74.3 164.3 33.0 0.5 55.6 6 6 A N + 0 0 123 2,-0.0 2,-0.3 86,-0.0 -1,-0.0 -0.957 35.3 128.3-127.4 144.7 32.0 -2.9 57.2 7 7 A F - 0 0 12 -2,-0.4 2,-0.3 78,-0.1 3,-0.1 -0.953 43.0-118.6-178.8 167.3 29.3 -3.7 59.6 8 8 A N > - 0 0 80 -2,-0.3 3,-2.0 1,-0.1 77,-0.0 -0.911 32.4-113.2-121.2 150.5 26.4 -6.1 60.3 9 9 A Y T 3 S+ 0 0 27 -2,-0.3 -1,-0.1 1,-0.3 73,-0.1 0.903 116.6 56.0 -47.7 -46.7 22.8 -5.0 60.7 10 10 A N T 3 S+ 0 0 121 71,-0.1 -1,-0.3 -3,-0.1 72,-0.0 0.636 80.3 118.8 -64.8 -14.7 22.9 -6.1 64.4 11 11 A D S < S- 0 0 47 -3,-2.0 2,-0.1 1,-0.1 3,-0.1 -0.111 73.2 -96.3 -51.7 150.4 25.9 -3.9 65.2 12 12 A P - 0 0 104 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.349 35.6-102.9 -72.1 149.9 25.2 -1.2 67.9 13 13 A I + 0 0 72 1,-0.1 6,-0.2 -2,-0.1 21,-0.0 -0.565 35.9 177.4 -72.4 128.0 24.3 2.4 67.1 14 14 A D - 0 0 79 4,-1.6 5,-0.2 -2,-0.3 -1,-0.1 0.363 40.2-126.2-112.9 2.4 27.3 4.6 67.6 15 15 A N S S+ 0 0 31 3,-1.6 4,-0.2 1,-0.1 -2,-0.1 0.580 98.6 63.9 62.7 10.6 25.7 7.9 66.5 16 16 A N S S+ 0 0 73 2,-0.4 3,-0.2 21,-0.0 -1,-0.1 0.642 119.5 1.4-124.2 -67.6 28.5 8.3 64.0 17 17 A N S S+ 0 0 52 1,-0.3 20,-2.7 19,-0.1 2,-0.4 0.486 135.6 43.2-106.0 -6.5 28.7 5.6 61.3 18 18 A I E S+A 36 0A 10 18,-0.2 -4,-1.6 2,-0.0 -3,-1.6 -0.916 83.2 157.1-139.2 107.4 25.6 3.6 62.4 19 19 A I E -A 35 0A 0 16,-2.2 16,-2.6 -2,-0.4 2,-0.7 -0.669 51.0-111.3-129.1 179.2 22.7 5.9 63.3 20 20 A M E -A 34 0A 45 120,-0.3 120,-3.1 14,-0.2 2,-0.2 -0.949 48.4-165.1-112.0 101.5 18.9 6.3 63.7 21 21 A M E -AB 33 139A 0 12,-2.6 12,-2.8 -2,-0.7 118,-0.2 -0.617 23.7-141.5 -95.4 152.1 18.2 8.6 60.9 22 22 A E E - B 0 138A 7 116,-2.9 116,-0.6 -2,-0.2 10,-0.1 -0.922 32.1-136.1-110.1 99.9 15.1 10.7 60.2 23 23 A P > > - 0 0 2 0, 0.0 3,-2.3 0, 0.0 5,-0.5 -0.232 16.3-113.8 -59.0 147.2 14.6 10.5 56.4 24 24 A P G > 5S+ 0 0 11 0, 0.0 3,-1.1 0, 0.0 109,-0.1 0.808 115.3 53.1 -49.8 -38.8 13.7 13.7 54.4 25 25 A F G 3 5S+ 0 0 9 1,-0.2 27,-0.1 2,-0.1 489,-0.1 0.408 88.8 78.4 -84.5 6.5 10.3 12.4 53.4 26 26 A A G X 5S- 0 0 15 -3,-2.3 3,-2.4 25,-0.1 -1,-0.2 0.516 93.1-138.2 -87.7 -5.0 9.4 11.7 57.0 27 27 A R T < 5 - 0 0 114 -3,-1.1 485,-0.2 1,-0.3 -2,-0.1 0.823 63.8 -62.8 51.6 34.2 8.7 15.4 57.5 28 28 A G T 3 S- C 0 42A 2 3,-1.3 3,-2.4 -35,-0.2 -1,-0.2 -0.935 102.6 -50.8-159.6 169.8 31.3 5.6 52.7 40 40 A D T 3 S- 0 0 88 -2,-0.3 115,-0.1 1,-0.3 -2,-0.0 -0.183 125.4 -0.8 -49.6 136.5 31.6 9.3 53.4 41 41 A R T 3 S+ 0 0 5 113,-0.2 116,-2.4 1,-0.1 115,-2.1 0.562 112.4 104.9 58.3 10.3 28.3 11.1 52.7 42 42 A I E < -Cd 39 157A 0 -3,-2.4 -4,-1.5 114,-0.2 -3,-1.3 -0.966 47.6-174.2-128.1 122.3 26.6 7.9 51.6 43 43 A W E -Cd 37 158A 0 114,-3.7 116,-3.2 -2,-0.5 2,-0.5 -0.801 14.0-154.3-115.1 154.2 24.1 5.9 53.6 44 44 A I E -Cd 36 159A 0 -8,-1.9 -8,-2.4 -2,-0.3 116,-0.2 -0.990 5.5-173.4-125.3 125.3 22.3 2.6 53.3 45 45 A I E - d 0 160A 0 114,-2.7 2,-2.8 -2,-0.5 116,-0.6 -0.900 17.3-150.5-118.8 98.5 18.9 2.0 54.9 46 46 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 114,-0.1 -0.273 60.5 97.5 -66.6 57.7 18.1 -1.8 54.4 47 47 A E S S- 0 0 23 -2,-2.8 114,-2.8 40,-0.1 -2,-0.1 -0.943 81.8 -83.5-142.6 163.0 14.4 -1.4 54.4 48 48 A R - 0 0 26 -2,-0.3 2,-0.7 30,-0.3 115,-0.2 -0.293 43.4-115.8 -65.5 151.4 11.6 -1.0 51.9 49 49 A Y + 0 0 1 113,-1.6 -1,-0.1 1,-0.2 144,-0.0 -0.844 43.9 164.1 -89.8 116.1 10.9 2.4 50.5 50 50 A T > + 0 0 59 -2,-0.7 3,-2.6 113,-0.1 -1,-0.2 0.588 25.5 125.6-110.3 -15.6 7.4 3.3 51.7 51 51 A F T 3 S+ 0 0 20 1,-0.3 3,-0.1 467,-0.1 -25,-0.1 -0.232 88.0 0.8 -52.8 117.2 7.3 7.0 51.2 52 52 A G T 3 S+ 0 0 23 1,-0.2 467,-2.4 -27,-0.1 2,-0.4 0.406 109.0 110.0 86.5 -1.9 4.3 7.9 49.1 53 53 A Y < - 0 0 32 -3,-2.6 -1,-0.2 465,-0.1 467,-0.1 -0.866 68.1-122.6-112.5 143.6 3.0 4.3 48.7 54 54 A K > - 0 0 86 -2,-0.4 3,-2.3 465,-0.2 4,-0.2 -0.665 24.6-125.9 -82.3 130.2 0.0 2.6 50.2 55 55 A P G > S+ 0 0 105 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.777 110.5 54.1 -41.2 -41.3 0.9 -0.5 52.4 56 56 A E G > S+ 0 0 110 1,-0.3 3,-2.0 2,-0.2 -2,-0.0 0.749 92.0 74.8 -70.7 -23.6 -1.5 -2.7 50.4 57 57 A D G < S+ 0 0 15 -3,-2.3 -1,-0.3 1,-0.3 4,-0.1 0.527 78.0 73.9 -69.5 -2.1 0.3 -1.7 47.2 58 58 A F G < S+ 0 0 18 -3,-1.2 16,-0.4 -4,-0.2 -1,-0.3 0.618 86.7 79.1 -82.8 -12.6 3.2 -3.9 48.1 59 59 A N S < S- 0 0 82 -3,-2.0 2,-0.2 15,-0.1 15,-0.1 -0.666 96.6-103.9 -92.2 149.4 1.0 -6.8 47.2 60 60 A K + 0 0 93 -2,-0.3 2,-0.2 13,-0.1 -2,-0.1 -0.502 53.2 162.7 -72.2 141.9 0.4 -7.7 43.5 61 61 A S - 0 0 49 2,-0.5 -1,-0.0 -2,-0.2 -4,-0.0 -0.665 56.9 -78.3-141.1-164.3 -3.0 -6.6 42.2 62 62 A S S S+ 0 0 109 -2,-0.2 462,-2.1 367,-0.1 463,-0.3 0.262 107.7 74.9 -88.5 13.7 -4.9 -5.9 39.1 63 63 A G E -I 523 0B 6 460,-0.2 -2,-0.5 461,-0.1 2,-0.3 -0.717 62.7-156.6-121.2 171.0 -3.0 -2.6 38.8 64 64 A I E -I 522 0B 0 458,-2.4 458,-2.3 -2,-0.2 3,-0.1 -0.967 17.6-146.3-143.7 158.8 0.5 -1.4 37.9 65 65 A F S S+ 0 0 36 -2,-0.3 2,-0.5 1,-0.3 455,-0.1 0.829 88.9 34.9 -92.9 -37.7 2.7 1.6 38.7 66 66 A N > - 0 0 42 3,-0.2 3,-1.3 1,-0.1 365,-0.3 -0.971 65.2-148.0-126.5 124.8 4.5 1.8 35.3 67 67 A R T 3 S+ 0 0 43 -2,-0.5 383,-0.1 1,-0.3 364,-0.1 0.550 95.8 50.7 -65.3 -8.4 3.0 1.0 31.9 68 68 A D T 3 S+ 0 0 29 381,-0.1 2,-0.4 362,-0.1 -1,-0.3 0.048 94.7 80.4-120.1 29.1 6.4 -0.3 30.5 69 69 A V S < S- 0 0 33 -3,-1.3 2,-1.6 360,-0.0 362,-0.3 -0.993 70.5-132.2-142.2 136.9 7.6 -2.8 33.1 70 70 A C - 0 0 13 -2,-0.4 2,-0.4 307,-0.3 360,-0.2 -0.699 45.2-150.5 -81.6 92.5 6.9 -6.4 34.0 71 71 A E E -J 429 0C 0 358,-2.1 358,-1.2 -2,-1.6 2,-0.5 -0.539 9.5-153.6 -76.4 125.5 6.6 -5.5 37.7 72 72 A Y E -J 428 0C 17 -2,-0.4 94,-1.6 356,-0.2 2,-0.4 -0.829 9.2-159.4-100.8 132.6 7.5 -8.1 40.3 73 73 A Y B +K 165 0D 2 354,-1.9 92,-0.1 -2,-0.5 -14,-0.1 -0.892 25.0 151.6-114.0 141.6 5.8 -7.9 43.8 74 74 A D > - 0 0 29 90,-0.5 3,-1.1 -16,-0.4 -15,-0.1 -0.590 17.1-173.5-165.9 91.6 7.0 -9.4 47.0 75 75 A P T 3 S+ 0 0 52 0, 0.0 -16,-0.1 0, 0.0 -27,-0.1 0.584 83.1 63.9 -69.7 -6.4 6.0 -7.7 50.3 76 76 A D T > + 0 0 93 -18,-0.1 3,-1.2 2,-0.0 4,-0.1 0.636 68.3 117.7 -91.9 -14.9 8.2 -10.0 52.3 77 77 A Y T < S+ 0 0 19 -3,-1.1 -29,-0.1 1,-0.3 -3,-0.1 -0.311 88.4 7.2 -54.6 126.8 11.5 -9.0 50.9 78 78 A L T 3 S+ 0 0 7 -31,-0.1 -30,-0.3 1,-0.1 -1,-0.3 0.866 86.7 131.3 68.2 40.0 13.6 -7.5 53.7 79 79 A N < + 0 0 79 -3,-1.2 2,-0.3 -32,-0.1 -2,-0.1 0.181 61.6 51.2-109.2 18.6 11.2 -8.4 56.6 80 80 A T S > S- 0 0 60 1,-0.1 4,-2.3 -4,-0.1 3,-0.3 -0.966 84.9-116.4-146.0 155.9 13.7 -10.0 58.9 81 81 A N H > S+ 0 0 87 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.872 116.0 56.8 -64.4 -35.4 17.1 -8.8 60.3 82 82 A D H > S+ 0 0 109 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.860 108.6 47.5 -64.1 -32.5 18.9 -11.6 58.5 83 83 A K H > S+ 0 0 79 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.907 110.6 51.5 -72.2 -42.1 17.4 -10.3 55.3 84 84 A K H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.936 110.3 49.0 -60.0 -44.2 18.4 -6.8 56.1 85 85 A N H X S+ 0 0 36 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.862 108.0 53.1 -64.1 -36.8 22.0 -7.9 56.8 86 86 A I H X S+ 0 0 61 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.902 109.6 50.1 -64.3 -38.2 22.2 -9.9 53.5 87 87 A F H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.929 111.4 49.0 -62.2 -48.3 21.1 -6.7 51.8 88 88 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.937 112.7 45.4 -57.7 -52.3 23.8 -4.7 53.6 89 89 A Q H X S+ 0 0 47 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.852 112.6 52.9 -61.9 -35.7 26.6 -7.2 52.8 90 90 A T H X S+ 0 0 4 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.937 107.3 50.2 -66.9 -47.2 25.4 -7.3 49.2 91 91 A M H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.942 109.3 52.6 -55.9 -46.5 25.5 -3.5 48.8 92 92 A I H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.882 109.0 50.3 -54.9 -41.2 29.1 -3.5 50.3 93 93 A K H X S+ 0 0 19 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.871 110.7 48.6 -68.6 -36.6 30.1 -6.1 47.7 94 94 A L H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.920 111.1 49.4 -69.5 -44.3 28.6 -4.1 44.8 95 95 A F H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.953 110.6 51.2 -60.0 -45.2 30.3 -0.9 45.9 96 96 A N H X S+ 0 0 37 -4,-2.3 4,-1.0 1,-0.2 -1,-0.2 0.899 110.7 48.8 -58.3 -38.6 33.6 -2.8 46.2 97 97 A R H < S+ 0 0 1 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.876 109.2 53.7 -67.2 -37.2 33.0 -4.1 42.6 98 98 A I H >< S+ 0 0 0 -4,-2.6 3,-1.0 1,-0.2 7,-0.4 0.961 112.6 41.6 -61.9 -51.9 32.3 -0.6 41.5 99 99 A K H 3< S+ 0 0 64 -4,-2.7 6,-0.2 5,-0.3 -1,-0.2 0.641 88.0 94.8 -72.6 -11.4 35.5 0.8 42.9 100 100 A S T 3< S+ 0 0 47 -4,-1.0 -1,-0.3 -5,-0.3 -2,-0.2 0.611 91.2 43.2 -55.3 -10.1 37.4 -2.3 41.6 101 101 A K S <> S- 0 0 62 -3,-1.0 4,-2.5 -4,-0.1 5,-0.2 -0.964 89.0-115.9-137.0 153.2 38.2 -0.1 38.5 102 102 A P H > S+ 0 0 67 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.890 112.3 54.0 -52.6 -48.9 39.3 3.5 38.0 103 103 A L H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.916 113.6 41.8 -57.3 -44.2 36.1 4.5 36.2 104 104 A G H > S+ 0 0 0 -6,-0.3 4,-2.2 2,-0.2 -5,-0.3 0.906 113.0 52.0 -71.3 -42.1 33.9 3.3 39.0 105 105 A E H X S+ 0 0 47 -4,-2.5 4,-3.3 -7,-0.4 5,-0.2 0.933 109.3 51.1 -59.8 -44.3 36.0 4.6 41.8 106 106 A K H X S+ 0 0 26 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.877 106.1 54.2 -61.5 -38.2 36.1 8.1 40.1 107 107 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.931 113.1 44.6 -60.6 -42.6 32.3 8.0 39.8 108 108 A L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 5,-0.2 0.937 112.5 49.4 -66.7 -48.0 32.2 7.4 43.6 109 109 A E H X S+ 0 0 31 -4,-3.3 4,-2.2 1,-0.2 -2,-0.2 0.913 112.4 49.6 -58.1 -41.2 34.9 10.0 44.4 110 110 A M H X S+ 0 0 8 -4,-3.0 4,-0.8 -5,-0.2 -1,-0.2 0.943 113.2 46.4 -62.4 -47.0 32.9 12.5 42.3 111 111 A I H < S+ 0 0 0 -4,-2.4 3,-0.4 -5,-0.2 -2,-0.2 0.884 112.4 49.3 -62.8 -41.3 29.7 11.6 44.1 112 112 A I H < S+ 0 0 12 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.893 116.7 41.8 -65.4 -41.1 31.2 11.7 47.6 113 113 A N H < S+ 0 0 27 -4,-2.2 2,-1.1 -5,-0.2 -1,-0.2 0.452 90.8 90.1 -87.0 -2.9 32.8 15.1 46.9 114 114 A G < + 0 0 0 -4,-0.8 -1,-0.2 -3,-0.4 3,-0.1 -0.390 63.0 178.2 -92.6 58.0 29.8 16.6 45.2 115 115 A I - 0 0 4 -2,-1.1 41,-0.1 1,-0.1 3,-0.1 -0.344 36.4-102.2 -63.3 133.5 28.3 18.0 48.4 116 116 A P - 0 0 9 0, 0.0 71,-0.2 0, 0.0 -1,-0.1 -0.258 42.9-102.3 -56.1 140.4 25.0 19.9 47.9 117 117 A Y - 0 0 0 69,-2.0 2,-1.7 121,-0.2 69,-0.1 -0.282 40.6-102.5 -58.5 151.4 25.5 23.7 48.0 118 118 A L S S+ 0 0 2 -3,-0.1 11,-1.7 70,-0.0 2,-0.2 -0.566 92.4 5.0 -81.0 82.8 24.4 25.1 51.4 119 119 A G S S- 0 0 0 -2,-1.7 2,-0.2 9,-0.2 -2,-0.1 -0.727 70.0-123.1 133.5 174.7 21.0 26.5 50.4 120 120 A D > - 0 0 8 -2,-0.2 3,-1.6 66,-0.1 68,-0.0 -0.602 53.5 -57.9-136.9-160.4 18.7 26.7 47.4 121 121 A R T 3 S+ 0 0 127 1,-0.3 4,-0.1 -2,-0.2 59,-0.0 0.782 128.4 58.3 -58.8 -27.7 16.9 29.3 45.2 122 122 A R T 3 S+ 0 0 85 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.627 85.4 95.5 -78.1 -15.2 15.2 30.8 48.2 123 123 A V S < S- 0 0 8 -3,-1.6 6,-0.0 1,-0.1 -4,-0.0 -0.569 84.4-108.5 -81.6 139.0 18.4 31.6 50.1 124 124 A P > - 0 0 64 0, 0.0 3,-2.6 0, 0.0 -1,-0.1 -0.371 29.1-116.3 -62.6 143.6 19.9 35.2 49.8 125 125 A L T 3 S+ 0 0 62 1,-0.3 179,-0.2 -4,-0.1 -2,-0.1 0.805 115.0 55.9 -51.5 -31.6 23.0 35.3 47.7 126 126 A E T 3 S+ 0 0 96 179,-0.2 180,-2.1 180,-0.1 181,-1.3 0.442 102.0 77.2 -84.4 4.2 25.0 36.4 50.7 127 127 A E E < -l 307 0E 54 -3,-2.6 2,-0.5 178,-0.2 181,-0.2 -0.818 57.8-153.6-124.5 159.1 23.9 33.4 52.8 128 128 A F E -l 308 0E 0 179,-1.4 182,-0.7 -2,-0.3 181,-0.6 -0.984 21.5-172.7-118.2 126.2 24.5 29.7 53.5 129 129 A N + 0 0 37 -11,-1.7 3,-0.1 -2,-0.5 -6,-0.1 -0.993 18.4 171.8-126.6 124.7 21.5 28.0 54.9 130 130 A T + 0 0 1 -2,-0.5 2,-1.7 1,-0.1 6,-0.3 0.517 61.0 92.9-105.3 -8.9 21.7 24.4 56.1 131 131 A N + 0 0 39 4,-0.1 2,-0.3 378,-0.1 -1,-0.1 -0.279 65.0 96.8 -84.0 52.9 18.3 24.4 57.7 132 132 A I S >> S- 0 0 3 -2,-1.7 4,-2.0 -3,-0.1 3,-2.0 -0.989 82.0-116.0-139.2 145.2 16.5 23.1 54.6 133 133 A A T 34 S+ 0 0 3 380,-0.5 381,-0.1 378,-0.4 379,-0.1 0.593 110.2 59.4 -56.3 -16.0 15.5 19.4 53.8 134 134 A S T 34 S+ 0 0 1 54,-0.1 55,-2.9 1,-0.1 -1,-0.3 0.572 115.6 31.4 -90.9 -9.1 17.8 19.2 50.8 135 135 A V T <4 S+ 0 0 3 -3,-2.0 20,-0.7 1,-0.3 2,-0.4 0.758 116.6 42.2-114.2 -42.7 21.0 19.9 52.8 136 136 A T E < - E 0 154A 2 -4,-2.0 2,-0.3 -6,-0.3 -1,-0.3 -0.901 52.7-176.2-119.1 143.9 20.6 18.5 56.3 137 137 A V E - E 0 153A 2 16,-2.5 16,-2.1 -2,-0.4 2,-0.2 -0.982 24.3-123.9-133.5 141.7 19.1 15.3 57.7 138 138 A N E -BE 22 152A 2 -116,-0.6 -116,-2.9 -2,-0.3 2,-0.4 -0.593 14.3-161.7 -94.0 150.9 18.7 14.4 61.4 139 139 A K E -BE 21 151A 5 12,-2.5 12,-2.0 -118,-0.2 2,-0.8 -0.951 25.9-120.6-124.7 143.8 19.9 11.5 63.5 140 140 A L E + E 0 150A 31 -120,-3.1 -120,-0.3 -2,-0.4 10,-0.2 -0.782 30.5 172.7 -88.6 110.0 18.5 10.6 66.9 141 141 A I + 0 0 18 8,-2.2 9,-0.2 -2,-0.8 -1,-0.2 0.801 32.0 137.5 -82.6 -32.1 21.2 10.7 69.5 142 142 A S + 0 0 26 7,-2.0 5,-0.1 -3,-0.1 4,-0.1 0.211 18.4 141.8 -20.2 90.6 18.6 10.1 72.2 143 143 A N S S- 0 0 77 2,-0.3 2,-0.7 3,-0.1 5,-0.1 -0.212 73.9 -32.7-115.8-153.9 20.3 7.6 74.5 144 144 A P S S+ 0 0 132 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.587 119.6 66.7 -73.5 117.1 19.9 7.9 78.2 145 145 A G S S- 0 0 43 -2,-0.7 -2,-0.3 -3,-0.1 3,-0.2 0.314 115.3 -10.3 135.3 90.0 19.5 11.6 78.8 146 146 A E S S- 0 0 162 1,-0.2 2,-0.5 -4,-0.1 -3,-0.1 0.999 80.0-127.9 61.4 72.9 16.5 13.6 77.5 147 147 A V S S+ 0 0 116 1,-0.2 -1,-0.2 -5,-0.1 -5,-0.0 -0.405 94.3 50.6 -55.2 106.7 15.0 10.8 75.3 148 148 A E + 0 0 92 -2,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.652 64.6 143.6 120.1 71.1 14.8 13.0 72.2 149 149 A R - 0 0 110 2,-0.0 -8,-2.2 -6,-0.0 -7,-2.0 -0.995 27.4-166.5-127.8 132.1 18.0 14.7 71.3 150 150 A K E -E 140 0A 80 -2,-0.4 2,-0.3 -10,-0.2 358,-0.3 -0.978 11.9-158.5-132.6 142.0 18.9 15.1 67.7 151 151 A K E -E 139 0A 103 -12,-2.0 -12,-2.5 -2,-0.4 2,-0.3 -0.820 19.0-130.1-109.8 149.8 22.0 16.1 65.7 152 152 A G E -EF 138 506A 0 354,-1.6 354,-2.5 -2,-0.3 2,-0.3 -0.764 25.9-178.3-100.5 146.8 22.1 17.4 62.2 153 153 A I E -EF 137 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43.7 173 173 A D E -H 190 0A 13 -2,-0.4 2,-0.6 17,-0.2 17,-0.1 -0.742 24.4-109.8-109.3 158.6 15.5 14.2 44.2 174 174 A I - 0 0 5 15,-0.6 7,-0.6 -2,-0.3 2,-0.4 -0.769 27.7-169.0 -95.5 119.7 14.1 16.6 46.8 175 175 A G E -MN 180 515F 1 -2,-0.6 340,-2.6 340,-0.5 2,-0.4 -0.842 4.0-175.0-105.6 140.3 11.7 19.3 45.8 176 176 A I E > S-M 179 0F 5 3,-3.3 3,-1.7 -2,-0.4 338,-0.1 -0.990 70.3 -5.1-138.3 128.6 10.7 22.1 48.1 177 177 A Q T 3 S- 0 0 108 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.930 132.7 -55.1 55.5 42.9 8.1 24.8 47.5 178 178 A N T 3 S+ 0 0 128 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.386 119.6 100.2 73.2 0.0 7.8 23.4 44.0 179 179 A H E < -M 176 0F 76 -3,-1.7 -3,-3.3 5,-0.0 2,-0.5 -0.856 59.5-143.2-120.8 154.8 11.5 23.7 43.2 180 180 A F E > -M 175 0F 50 -2,-0.3 3,-2.2 -5,-0.2 -5,-0.2 -0.948 4.2-162.3-120.2 114.7 14.4 21.3 43.1 181 181 A A G > >S+ 0 0 5 -7,-0.6 6,-2.6 -2,-0.5 5,-1.3 0.770 94.8 64.3 -59.9 -27.8 17.9 22.4 44.1 182 182 A S G 3 5S+ 0 0 2 -8,-0.4 60,-1.7 1,-0.2 -1,-0.3 0.509 104.9 45.3 -75.7 -3.4 19.2 19.4 42.2 183 183 A R G < 5S+ 0 0 58 -3,-2.2 61,-0.2 58,-0.2 -1,-0.2 0.255 109.0 56.5-119.8 8.3 17.9 20.9 39.0 184 184 A E T < 5S- 0 0 31 -3,-1.1 57,-0.1 -4,-0.2 -2,-0.1 -0.056 119.0 -89.0-133.1 34.8 19.1 24.4 39.6 185 185 A G T 5S+ 0 0 0 55,-2.2 -3,-0.1 -3,-0.1 56,-0.1 0.287 109.2 87.3 79.9 -11.5 22.9 24.1 40.1 186 186 A F S > - 0 0 1 145,-0.4 3,-1.6 1,-0.1 4,-1.6 -0.822 21.5-142.1 -89.2 116.1 24.9 -7.3 36.4 223 223 A P H 3> S+ 0 0 0 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.700 98.2 65.1 -52.7 -22.4 23.5 -5.5 39.6 224 224 A A H 3> S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.849 103.4 44.9 -70.8 -35.3 26.6 -3.4 39.7 225 225 A L H <> S+ 0 0 3 -3,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.849 110.9 54.5 -75.5 -35.0 25.8 -1.7 36.4 226 226 A I H X S+ 0 0 20 -4,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.909 111.7 45.0 -63.8 -39.3 22.2 -1.3 37.6 227 227 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.905 112.1 50.2 -70.4 -42.4 23.6 0.5 40.6 228 228 A M H X S+ 0 0 1 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.830 105.7 57.8 -67.0 -29.0 26.0 2.6 38.7 229 229 A H H X S+ 0 0 32 -4,-2.2 4,-1.0 2,-0.2 3,-0.3 0.953 111.2 41.9 -63.7 -47.7 23.2 3.6 36.3 230 230 A E H X S+ 0 0 17 -4,-1.6 4,-1.6 1,-0.2 3,-0.3 0.853 110.8 57.7 -66.8 -33.7 21.3 5.0 39.3 231 231 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.813 98.8 59.2 -66.9 -30.2 24.6 6.5 40.7 232 232 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 -3,-0.3 -1,-0.2 0.870 104.9 49.6 -65.4 -35.1 25.0 8.4 37.5 233 233 A H H X S+ 0 0 21 -4,-1.0 4,-2.5 -3,-0.3 -2,-0.2 0.870 109.1 53.2 -68.3 -37.6 21.6 10.0 38.3 234 234 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.943 106.0 52.6 -61.2 -47.4 22.9 10.7 41.7 235 235 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.931 110.4 47.8 -53.4 -49.0 25.9 12.4 40.3 236 236 A H H <>S+ 0 0 0 -4,-2.0 5,-2.5 1,-0.2 6,-0.5 0.903 113.2 47.3 -60.1 -44.5 23.7 14.7 38.1 237 237 A G H ><5S+ 0 0 0 -4,-2.5 3,-0.7 1,-0.2 -49,-0.5 0.849 109.8 53.6 -66.6 -33.7 21.4 15.6 41.0 238 238 A L H 3<5S+ 0 0 0 -4,-2.7 -121,-0.2 1,-0.2 -1,-0.2 0.848 111.8 43.9 -70.0 -34.9 24.4 16.3 43.3 239 239 A Y T 3<5S- 0 0 7 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.361 113.2-118.9 -90.6 4.1 25.9 18.8 40.8 240 240 A G T < 5S+ 0 0 0 -3,-0.7 -55,-2.2 -4,-0.3 -3,-0.2 0.817 81.8 116.2 63.8 34.2 22.6 20.3 40.1 241 241 A I < + 0 0 2 -5,-2.5 2,-0.9 -6,-0.2 -4,-0.2 0.082 28.8 111.8-118.8 20.7 22.5 19.5 36.4 242 242 A K + 0 0 27 -60,-1.7 -1,-0.1 -6,-0.5 -5,-0.1 -0.205 56.1 168.4 -85.6 45.2 19.5 17.2 36.5 243 243 A V - 0 0 10 -2,-0.9 2,-0.4 -7,-0.1 23,-0.4 -0.103 31.3-130.2 -62.8 157.2 17.7 19.9 34.5 244 244 A D + 0 0 69 -61,-0.2 2,-0.2 21,-0.1 -1,-0.1 -0.861 37.4 145.3-110.3 142.8 14.4 19.6 32.7 245 245 A D - 0 0 28 -2,-0.4 38,-0.0 45,-0.0 21,-0.0 -0.758 59.2 -24.9-151.8-162.8 13.8 20.6 29.1 246 246 A L S S- 0 0 54 -2,-0.2 19,-0.1 18,-0.1 216,-0.1 -0.427 72.1-154.3 -60.5 111.9 11.8 19.6 26.1 247 247 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 17,-0.2 -0.338 20.6-104.1 -88.8 168.5 11.1 15.8 26.6 248 248 A I B -S 263 0H 3 15,-2.6 15,-2.9 -2,-0.1 212,-0.0 -0.819 42.9-174.3 -89.2 115.4 10.5 12.9 24.3 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18.0 48.9 516 517 A V - 0 0 33 -2,-0.6 -464,-0.1 -342,-0.1 -342,-0.0 -0.874 18.9-125.6-101.8 117.6 6.6 14.2 49.3 517 518 A P - 0 0 45 0, 0.0 2,-0.5 0, 0.0 -492,-0.0 -0.302 20.3-149.4 -59.4 138.1 5.7 12.4 46.0 518 519 A V - 0 0 124 2,-0.0 2,-0.3 -465,-0.0 -465,-0.1 -0.953 14.6-166.4-114.5 127.3 2.4 10.4 46.1 519 520 A Y + 0 0 53 -467,-2.4 2,-0.3 -2,-0.5 -465,-0.2 -0.812 10.4 174.2-115.0 154.2 2.0 7.3 44.0 520 521 A E - 0 0 138 -2,-0.3 -456,-0.1 -455,-0.1 -467,-0.0 -0.977 29.0-112.5-157.6 144.1 -0.9 5.1 43.0 521 522 A K - 0 0 31 -2,-0.3 -456,-0.2 -458,-0.1 3,-0.0 -0.249 25.9-156.5 -71.1 162.0 -1.5 2.1 40.7 522 523 A Q E -I 64 0B 65 -458,-2.3 -458,-2.4 1,-0.1 -456,-0.1 -0.895 42.0 -63.1-133.0 163.0 -3.6 2.3 37.6 523 524 A P E -I 63 0B 91 0, 0.0 -460,-0.2 0, 0.0 -1,-0.1 -0.129 34.7-148.5 -48.7 138.0 -5.4 -0.4 35.7 524 525 A A S S+ 0 0 12 -462,-2.1 -92,-3.9 -93,-0.1 2,-0.4 0.558 85.4 53.3 -84.9 -7.5 -3.1 -3.1 34.3 525 526 A I E -y 432 0M 81 -463,-0.3 2,-0.5 -94,-0.2 -92,-0.2 -0.993 63.1-170.6-132.4 130.5 -5.6 -3.6 31.5 526 527 A K E -y 433 0M 101 -94,-2.4 -92,-2.9 -2,-0.4 2,-0.5 -0.980 16.5-146.1-121.4 120.5 -7.0 -1.0 29.1 527 528 A K E +y 434 0M 111 -2,-0.5 2,-0.3 -94,-0.2 -92,-0.2 -0.742 23.4 169.7 -92.1 125.3 -9.8 -2.0 26.8 528 529 A I E -y 435 0M 27 -94,-2.5 -92,-3.0 -2,-0.5 2,-0.5 -0.873 26.8-126.5-126.3 162.1 -10.1 -0.5 23.3 529 530 A F E +y 436 0M 140 -2,-0.3 2,-0.3 -94,-0.2 -92,-0.2 -0.933 39.6 140.4-116.0 132.8 -12.2 -1.3 20.3 530 531 A T - 0 0 20 -94,-3.6 -2,-0.1 -2,-0.5 0, 0.0 -0.944 38.8-155.9-163.4 145.2 -10.9 -1.9 16.8 531 532 A D + 0 0 85 -2,-0.3 -94,-0.1 -94,-0.2 -1,-0.0 0.232 57.8 128.7-107.7 9.2 -11.7 -4.4 14.0 532 533 A E - 0 0 96 1,-0.1 2,-0.3 5,-0.0 -2,-0.1 -0.284 47.4-158.5 -64.4 148.9 -8.2 -4.0 12.7 533 534 A N + 0 0 48 94,-0.1 2,-0.1 4,-0.1 -1,-0.1 -0.757 40.5 138.7-129.1 78.3 -6.2 -7.2 11.9 534 535 A T S > S- 0 0 6 -2,-0.3 4,-2.4 97,-0.0 3,-0.4 -0.100 71.9 -47.7-104.5-154.5 -2.7 -5.8 12.0 535 536 A I H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.858 133.1 52.8 -48.4 -44.3 0.5 -7.3 13.5 536 537 A F H > S+ 0 0 12 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 112.5 42.2 -62.7 -43.9 -1.0 -8.1 16.9 537 538 A Q H > S+ 0 0 4 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.909 114.9 51.4 -70.2 -41.8 -4.0 -10.1 15.5 538 539 A Y H < S+ 0 0 22 -4,-2.4 4,-0.3 88,-0.3 -2,-0.2 0.895 111.2 46.8 -62.5 -40.3 -1.8 -11.9 12.9 539 540 A L H >< S+ 0 0 19 -4,-2.4 3,-1.2 -5,-0.3 -1,-0.2 0.902 112.4 51.9 -68.0 -37.2 0.7 -12.9 15.5 540 541 A Y H >< S+ 0 0 95 -4,-1.8 3,-2.6 1,-0.3 -2,-0.2 0.931 99.7 61.4 -63.2 -45.7 -2.2 -14.1 17.7 541 542 A S T 3< S+ 0 0 3 -4,-2.9 27,-2.7 1,-0.3 -1,-0.3 0.596 98.2 62.5 -56.9 -11.0 -3.6 -16.2 14.9 542 543 A Q T < S+ 0 0 1 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.2 0.294 95.6 71.6 -99.2 8.0 -0.3 -18.1 15.1 543 544 A T < - 0 0 44 -3,-2.6 25,-0.2 23,-0.1 23,-0.1 -0.551 61.4-155.1-113.8-179.5 -0.8 -19.4 18.6 544 545 A F - 0 0 51 -2,-0.2 21,-0.1 23,-0.1 4,-0.1 -0.981 29.0 -88.8-157.9 147.5 -3.0 -21.9 20.4 545 546 A P > - 0 0 54 0, 0.0 3,-0.9 0, 0.0 0, 0.0 -0.060 32.9-123.8 -52.7 156.1 -4.4 -22.6 23.9 546 547 A L T 3 S+ 0 0 186 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.770 108.7 61.2 -74.2 -27.1 -2.4 -24.7 26.3 547 548 A D T 3 S+ 0 0 138 2,-0.0 2,-0.5 0, 0.0 -1,-0.2 0.301 91.6 83.0 -83.7 10.4 -5.2 -27.2 26.8 548 549 A I < + 0 0 42 -3,-0.9 3,-0.1 1,-0.1 -4,-0.0 -0.962 41.7 162.7-116.2 127.0 -5.1 -28.1 23.1 549 550 A R + 0 0 169 -2,-0.5 2,-0.7 1,-0.2 185,-0.2 0.615 59.8 71.6-116.5 -17.7 -2.6 -30.6 21.7 550 551 A D + 0 0 70 184,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.879 63.3 155.3-104.5 110.6 -4.0 -31.6 18.4 551 552 A I - 0 0 3 -2,-0.7 2,-0.3 176,-0.1 15,-0.2 -0.846 27.5-154.5-130.1 167.6 -3.7 -28.8 15.7 552 553 A S E -a 566 0O 30 13,-2.3 15,-1.9 -2,-0.3 2,-0.1 -0.995 24.1-115.8-141.5 143.3 -3.5 -28.3 12.0 553 554 A L E -a 567 0O 8 -2,-0.3 2,-0.3 23,-0.3 15,-0.2 -0.419 30.1-176.9 -78.7 155.3 -2.0 -25.5 9.9 554 555 A T E -a 568 0O 19 13,-2.0 15,-2.0 -2,-0.1 23,-0.0 -0.994 32.3-150.5-151.6 147.0 -4.0 -23.2 7.7 555 556 A S S S+ 0 0 85 -2,-0.3 2,-0.9 13,-0.2 3,-0.1 0.449 77.9 98.7 -93.9 -3.4 -3.2 -20.4 5.3 556 557 A S > - 0 0 33 1,-0.2 4,-2.2 11,-0.1 3,-0.2 -0.763 55.4-169.5 -90.3 104.4 -6.5 -18.9 6.1 557 558 A F H > S+ 0 0 11 -2,-0.9 4,-1.7 1,-0.2 5,-0.2 0.910 85.5 54.4 -56.5 -45.8 -6.1 -16.2 8.7 558 559 A D H > S+ 0 0 112 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.855 109.4 45.3 -61.3 -38.1 -9.8 -15.9 9.4 559 560 A D H >> S+ 0 0 66 -3,-0.2 4,-3.0 2,-0.2 3,-0.6 0.926 107.3 58.6 -71.9 -42.8 -10.3 -19.6 10.1 560 561 A A H 3< S+ 0 0 8 -4,-2.2 6,-0.3 1,-0.3 -2,-0.2 0.873 108.5 46.4 -52.1 -39.9 -7.2 -19.7 12.4 561 562 A L H 3< S+ 0 0 38 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.778 114.2 50.6 -72.3 -26.8 -8.9 -17.0 14.5 562 563 A L H << S+ 0 0 123 -4,-0.9 2,-0.5 -3,-0.6 -2,-0.2 0.884 109.1 47.3 -80.3 -41.9 -12.1 -18.9 14.4 563 564 A F >< - 0 0 88 -4,-3.0 3,-1.7 1,-0.1 -1,-0.2 -0.903 62.3-150.8-113.5 130.8 -10.9 -22.4 15.5 564 565 A S T 3 S+ 0 0 64 -2,-0.5 -1,-0.1 1,-0.3 -16,-0.1 0.727 101.2 55.7 -64.0 -24.9 -8.7 -23.2 18.4 565 566 A N T 3 S+ 0 0 65 -14,-0.1 -13,-2.3 -21,-0.1 2,-0.5 0.401 96.2 84.3 -88.8 3.0 -7.3 -26.3 16.6 566 567 A K E < -a 552 0O 54 -3,-1.7 2,-0.4 -6,-0.3 -13,-0.2 -0.919 58.2-171.1-111.7 130.4 -6.3 -24.1 13.6 567 568 A V E -a 553 0O 0 -15,-1.9 -13,-2.0 -2,-0.5 -25,-0.2 -0.981 22.7-122.1-124.1 129.4 -3.0 -22.2 13.5 568 569 A Y E -a 554 0O 6 -27,-2.7 2,-0.4 -2,-0.4 -13,-0.2 -0.370 27.1-173.2 -69.0 141.3 -2.1 -19.6 10.8 569 570 A S - 0 0 2 -15,-2.0 7,-0.1 2,-0.1 -12,-0.0 -1.000 22.4-162.6-138.7 135.4 1.0 -20.1 8.7 570 571 A F + 0 0 8 -2,-0.4 55,-0.1 55,-0.0 54,-0.1 0.310 63.5 104.2 -97.4 7.5 2.5 -17.7 6.2 571 572 A F S S- 0 0 10 1,-0.2 -2,-0.1 53,-0.1 5,-0.1 -0.266 82.3 -59.9 -82.9 173.8 4.6 -20.5 4.5 572 573 A S > - 0 0 31 1,-0.1 4,-1.9 3,-0.1 -1,-0.2 0.042 40.2-118.0 -53.1 157.8 3.9 -22.2 1.2 573 574 A M H > S+ 0 0 142 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.863 117.7 50.8 -65.1 -36.7 0.7 -24.1 0.3 574 575 A D H > S+ 0 0 108 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.897 107.4 52.7 -69.6 -38.2 2.8 -27.2 -0.1 575 576 A Y H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.896 109.2 50.8 -62.0 -40.5 4.5 -26.7 3.2 576 577 A I H X S+ 0 0 14 -4,-1.9 4,-0.9 2,-0.2 -23,-0.3 0.775 109.3 49.4 -70.0 -29.3 1.1 -26.5 4.9 577 578 A K H < S+ 0 0 137 -4,-1.3 3,-0.3 2,-0.2 4,-0.3 0.918 111.6 47.5 -77.2 -43.2 -0.3 -29.6 3.3 578 579 A T H >< S+ 0 0 13 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.911 107.8 56.8 -63.1 -40.5 2.7 -31.8 4.2 579 580 A A H 3< S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 110.1 45.1 -59.0 -33.8 2.6 -30.5 7.8 580 581 A N T 3< S+ 0 0 45 -4,-0.9 -1,-0.3 -3,-0.3 2,-0.2 0.369 89.9 118.5 -91.5 3.1 -1.0 -31.7 8.1 581 582 A K < - 0 0 103 -3,-1.6 2,-0.4 -4,-0.3 -3,-0.0 -0.501 50.9-152.7 -76.0 136.0 -0.2 -35.1 6.5 582 583 A V + 0 0 96 -2,-0.2 2,-0.3 153,-0.0 -2,-0.1 -0.891 20.1 176.8-109.1 138.2 -0.7 -38.3 8.5 583 584 A V - 0 0 22 -2,-0.4 5,-0.1 1,-0.0 2,-0.0 -0.900 33.7 -84.4-139.0 168.0 1.3 -41.4 7.8 584 585 A E >> - 0 0 138 -2,-0.3 3,-2.2 1,-0.1 4,-0.8 -0.317 45.8-110.0 -66.8 152.5 2.0 -45.0 8.9 585 586 A A H >> S+ 0 0 13 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.858 119.3 59.4 -51.7 -37.6 4.5 -45.5 11.7 586 587 A G H 34 S+ 0 0 78 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.650 111.3 39.0 -68.0 -16.1 6.9 -47.0 9.1 587 588 A L H <> S+ 0 0 114 -3,-2.2 4,-2.2 2,-0.1 -1,-0.2 0.369 91.5 91.8-113.0 0.3 6.9 -43.7 7.1 588 589 A F H S+ 0 0 42 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.924 109.6 49.6 -63.6 -46.4 10.7 -40.1 6.6 591 592 A W H X S+ 0 0 7 -4,-2.2 4,-3.0 1,-0.2 3,-0.4 0.915 109.0 52.9 -59.2 -45.6 7.9 -37.5 6.9 592 593 A V H X S+ 0 0 5 -4,-2.9 4,-2.1 1,-0.3 5,-0.3 0.932 108.5 49.2 -56.8 -47.7 9.7 -35.8 9.8 593 594 A K H X S+ 0 0 166 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.3 0.781 115.1 48.7 -62.4 -25.4 12.9 -35.4 7.8 594 595 A Q H X S+ 0 0 88 -4,-1.3 4,-2.5 -3,-0.4 -2,-0.2 0.956 112.7 40.6 -80.1 -56.1 10.8 -34.0 5.0 595 596 A I H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.792 115.7 52.4 -66.4 -29.0 8.6 -31.4 6.8 596 597 A V H X S+ 0 0 7 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.956 110.8 47.8 -70.0 -48.3 11.6 -30.3 8.9 597 598 A N H X S+ 0 0 85 -4,-1.1 4,-2.3 -5,-0.3 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111.3 47.2 -60.5 -52.0 3.6 -29.6 18.4 731 732 A I H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.911 112.6 50.5 -55.4 -45.4 2.1 -31.4 15.4 732 733 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.937 109.2 49.8 -59.7 -49.5 5.1 -33.7 15.3 733 734 A K H X S+ 0 0 85 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.944 111.1 51.3 -53.6 -51.1 4.8 -34.6 19.0 734 735 A Y H X S+ 0 0 47 -4,-2.5 4,-0.6 -185,-0.2 -1,-0.2 0.910 110.9 45.8 -53.5 -50.3 1.1 -35.3 18.5 735 736 A R H >X S+ 0 0 41 -4,-2.4 3,-1.0 1,-0.2 4,-0.7 0.931 113.7 49.8 -61.0 -46.0 1.6 -37.7 15.5 736 737 A Y H >< S+ 0 0 47 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.922 109.4 50.7 -59.7 -46.0 4.4 -39.5 17.3 737 738 A N H 3< S+ 0 0 96 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.529 95.3 70.8 -73.5 -5.7 2.4 -40.0 20.5 738 739 A I H << S+ 0 0 108 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.801 88.2 81.7 -76.8 -29.0 -0.5 -41.4 18.6 739 740 A Y S << S- 0 0 29 -3,-1.1 2,-0.2 -4,-0.7 -3,-0.0 -0.183 89.6-104.5 -70.4 167.3 1.6 -44.5 17.9 740 741 A S > - 0 0 55 1,-0.1 4,-2.8 0, 0.0 5,-0.2 -0.487 29.4-107.4 -89.8 164.1 2.0 -47.3 20.4 741 742 A E H > S+ 0 0 139 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.868 121.3 56.5 -58.4 -37.4 5.1 -47.9 22.5 742 743 A K H > S+ 0 0 154 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.949 111.7 42.2 -58.7 -49.9 5.9 -50.9 20.4 743 744 A E H >> S+ 0 0 77 1,-0.2 3,-1.4 2,-0.2 4,-1.0 0.910 110.0 56.1 -64.4 -45.0 5.9 -48.8 17.2 744 745 A K H 3< S+ 0 0 30 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.836 97.8 64.4 -57.9 -33.6 7.7 -45.8 18.8 745 746 A S H 3< S+ 0 0 97 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.800 109.1 39.5 -61.9 -27.3 10.6 -48.2 19.7 746 747 A N H << S+ 0 0 120 -3,-1.4 2,-0.7 -4,-0.6 -1,-0.2 0.575 91.6 98.3 -98.9 -10.3 11.2 -48.7 16.0 747 748 A I S < S- 0 0 16 -4,-1.0 2,-1.2 -3,-0.4 -161,-0.1 -0.690 70.4-142.9 -80.2 114.9 10.6 -45.1 14.9 748 749 A N + 0 0 142 -2,-0.7 2,-0.4 2,-0.0 -3,-0.1 -0.667 41.3 147.9 -84.7 97.1 14.0 -43.6 14.5 749 750 A I - 0 0 37 -2,-1.2 2,-0.4 -5,-0.2 -160,-0.0 -0.985 33.9-167.8-134.9 142.6 13.6 -40.0 15.8 750 751 A D >> - 0 0 89 -2,-0.4 4,-1.7 1,-0.1 3,-1.2 -0.867 4.6-170.2-129.9 94.2 15.8 -37.5 17.6 751 752 A F H 3> S+ 0 0 52 -2,-0.4 4,-2.0 1,-0.3 5,-0.2 0.722 85.3 57.3 -57.5 -25.2 13.8 -34.6 18.9 752 753 A N H 3> S+ 0 0 128 2,-0.2 4,-1.2 1,-0.2 -1,-0.3 0.756 106.0 48.6 -80.4 -23.9 16.8 -32.6 19.8 753 754 A D H <> S+ 0 0 61 -3,-1.2 4,-2.8 2,-0.2 -2,-0.2 0.843 109.7 54.2 -80.4 -34.1 18.2 -32.7 16.3 754 755 A I H X S+ 0 0 7 -4,-1.7 4,-2.8 2,-0.2 5,-0.3 0.982 111.4 42.6 -60.3 -58.2 14.8 -31.6 15.0 755 756 A N H X S+ 0 0 20 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.872 112.6 56.7 -55.4 -38.5 14.7 -28.6 17.2 756 757 A S H X S+ 0 0 68 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.952 110.7 42.1 -58.2 -51.5 18.4 -28.0 16.3 757 758 A K H X S+ 0 0 106 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.874 114.9 49.2 -65.4 -39.9 17.6 -28.0 12.6 758 759 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.931 112.5 51.0 -63.6 -43.9 14.5 -25.8 13.0 759 760 A N H X S+ 0 0 13 -4,-2.9 4,-2.4 -5,-0.3 -2,-0.2 0.890 107.4 50.4 -59.0 -46.1 16.5 -23.5 15.1 760 761 A E H X S+ 0 0 100 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.898 108.6 53.8 -62.1 -39.6 19.3 -23.1 12.6 761 762 A G H X S+ 0 0 0 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.906 109.3 49.2 -60.8 -41.5 16.8 -22.3 9.9 762 763 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.894 108.1 51.6 -65.9 -43.3 15.4 -19.6 12.1 763 764 A N H X S+ 0 0 20 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.922 110.2 48.9 -62.3 -43.0 18.7 -18.0 12.9 764 765 A Q H X S+ 0 0 72 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.876 112.9 49.0 -61.3 -39.5 19.6 -17.8 9.2 765 766 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.915 108.6 53.4 -66.5 -44.7 16.2 -16.3 8.5 766 767 A I H X S+ 0 0 6 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.904 106.2 51.0 -58.7 -45.9 16.7 -13.7 11.3 767 768 A D H X S+ 0 0 84 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.900 113.3 47.1 -60.8 -38.6 20.0 -12.4 10.1 768 769 A N H X S+ 0 0 34 -4,-1.5 4,-3.2 2,-0.2 -2,-0.2 0.968 112.9 48.0 -64.4 -53.0 18.4 -12.0 6.6 769 770 A I H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.876 110.0 52.7 -56.0 -40.3 15.4 -10.2 8.0 770 771 A N H X S+ 0 0 10 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.925 111.9 45.0 -65.0 -43.2 17.6 -8.0 10.2 771 772 A N H X S+ 0 0 63 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.955 114.3 50.0 -63.9 -48.7 19.6 -6.9 7.1 772 773 A F H X S+ 0 0 11 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.954 115.0 42.3 -52.7 -57.2 16.5 -6.4 5.1 773 774 A I H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.864 111.9 53.1 -61.9 -39.3 14.8 -4.3 7.7 774 775 A N H X S+ 0 0 27 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.933 108.8 51.2 -62.8 -42.3 17.8 -2.2 8.6 775 776 A G H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.914 108.6 51.7 -58.5 -43.2 18.2 -1.4 4.9 776 777 A C H X S+ 0 0 5 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.906 108.5 51.6 -59.5 -43.7 14.6 -0.3 4.8 777 778 A S H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.936 111.9 44.3 -60.5 -48.0 15.1 1.9 7.8 778 779 A V H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.870 110.2 57.2 -65.4 -35.7 18.1 3.6 6.3 779 780 A S H X>S+ 0 0 22 -4,-2.5 4,-3.0 1,-0.2 5,-0.5 0.915 106.7 48.8 -59.7 -45.2 16.3 3.9 3.0 780 781 A Y H X>S+ 0 0 16 -4,-2.3 4,-1.5 2,-0.2 5,-0.6 0.878 110.8 50.4 -65.1 -37.6 13.5 5.8 4.7 781 782 A L H X>S+ 0 0 0 -4,-1.8 5,-2.8 3,-0.2 4,-1.4 0.988 118.4 38.0 -61.3 -57.2 15.9 8.1 6.4 782 783 A M H <5S+ 0 0 30 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.835 128.9 27.5 -63.9 -42.2 17.8 8.9 3.1 783 784 A K H <5S+ 0 0 29 -4,-3.0 -3,-0.2 -5,-0.2 -1,-0.2 0.703 130.5 33.3 -98.1 -23.1 14.9 9.1 0.6 784 785 A K H <> S+ 0 0 7 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 103.7 53.8 -58.6 -40.8 15.4 15.3 1.2 788 789 A L H 3> S+ 0 0 78 -3,-0.3 4,-1.0 1,-0.2 -2,-0.2 0.789 111.2 47.7 -63.7 -27.1 12.6 17.1 3.0 789 790 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 3,-0.9 0.944 107.8 46.0 -47.8 -61.9 20.6 29.3 1.7 798 799 A N H 3X S+ 0 0 99 -4,-2.3 4,-1.9 1,-0.3 3,-0.5 0.920 111.4 52.5 -49.0 -52.2 19.1 31.3 -1.2 799 800 A T H 3X S+ 0 0 63 -4,-2.4 4,-1.4 1,-0.3 -1,-0.3 0.809 113.8 44.3 -54.4 -32.5 17.5 33.7 1.3 800 801 A L H < S+ 0 0 72 -4,-1.6 3,-3.7 -5,-0.3 4,-0.2 0.987 105.0 47.8 -73.3 -64.8 26.4 46.1 -1.2 810 811 A E H 3< S+ 0 0 128 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.808 117.9 44.5 -44.2 -37.0 25.2 48.5 1.6 811 812 A N T 3X S+ 0 0 6 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.3 0.217 78.5 123.4 -95.3 14.2 28.8 48.4 3.0 812 813 A K H X> S+ 0 0 108 -3,-3.7 4,-1.7 1,-0.2 3,-1.0 0.868 72.3 47.6 -39.1 -58.5 30.4 48.7 -0.4 813 814 A L H >4 S+ 0 0 134 -3,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.967 109.8 49.4 -50.0 -67.6 32.4 51.8 0.5 814 815 A Y H 34 S+ 0 0 71 1,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.622 113.1 50.5 -51.6 -14.8 33.8 50.6 3.8 815 816 A L H << S+ 0 0 0 -4,-1.2 -1,-0.3 -3,-1.0 -2,-0.2 0.765 86.3 174.6 -93.1 -30.1 34.8 47.4 2.0 816 817 A I X< + 0 0 120 -4,-1.7 2,-2.0 -3,-1.5 3,-1.2 -0.352 64.6 5.7 62.2-133.3 36.5 49.3 -0.8 817 818 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 -0.322 129.6 56.8 -80.3 57.0 38.4 47.1 -3.3 818 819 A S T 3>> + 0 0 15 -2,-2.0 4,-2.1 -6,-0.2 5,-0.5 0.351 65.6 98.5-153.7 -23.6 37.2 43.8 -1.8 819 820 A A H <>5S+ 0 0 20 -3,-1.2 4,-0.6 -7,-0.3 -2,-0.1 0.756 95.2 48.0 -44.9 -23.0 33.4 44.0 -1.9 820 821 A E H >5S+ 0 0 138 -4,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.882 103.2 57.5 -85.2 -45.4 34.0 41.9 -5.0 821 822 A Y H >5S+ 0 0 136 -3,-0.3 4,-1.4 1,-0.2 -2,-0.2 0.888 118.4 33.4 -52.6 -44.0 36.4 39.4 -3.5 822 823 A E H X5S+ 0 0 4 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.722 101.5 75.8 -86.3 -24.0 33.9 38.4 -0.9 823 824 A K H <X S+ 0 0 55 -4,-1.4 4,-3.3 2,-0.2 3,-0.6 0.820 107.2 66.6 -91.6 -38.5 32.1 35.7 -4.6 825 826 A K H 3X S+ 0 0 56 -4,-1.4 4,-0.6 1,-0.3 -2,-0.2 0.816 106.6 49.1 -52.1 -27.0 33.5 34.2 -1.4 826 827 A V H 3X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -1,-0.3 0.785 111.8 46.2 -82.2 -32.2 29.9 34.2 -0.5 827 828 A N H <4 S+ 0 0 54 -3,-0.6 -2,-0.2 -4,-0.4 -3,-0.1 0.922 110.4 50.8 -77.3 -44.8 28.8 32.6 -3.7 828 829 A K H X S+ 0 0 128 -4,-3.3 4,-1.0 1,-0.2 3,-0.2 0.757 113.7 47.1 -64.6 -24.8 31.4 29.8 -3.7 829 830 A Y H < S+ 0 0 27 -4,-0.6 -1,-0.2 -5,-0.4 -2,-0.2 0.913 107.8 50.7 -83.6 -47.5 30.5 28.9 -0.1 830 831 A L T < S+ 0 0 18 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.291 106.4 64.8 -73.6 13.1 26.7 28.8 -0.4 831 832 A K T 4 S+ 0 0 95 -3,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.862 85.1 69.7 -95.2 -63.4 27.3 26.5 -3.4 832 833 A T S < S- 0 0 72 -4,-1.0 2,-0.3 1,-0.0 -1,-0.1 -0.433 76.8-155.4 -61.5 108.3 28.9 23.5 -1.7 833 834 A I - 0 0 25 -2,-0.5 -3,-0.1 85,-0.3 -1,-0.0 -0.708 22.9-102.8 -92.6 140.4 26.1 21.8 0.3 834 835 A M - 0 0 52 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.399 31.3-134.4 -64.9 121.8 26.9 19.7 3.3 835 836 A P - 0 0 88 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.517 27.1-110.9 -74.7 143.1 26.7 15.9 2.6 836 837 A F + 0 0 20 -2,-0.2 2,-0.3 -54,-0.0 -144,-0.0 -0.540 37.5 177.7 -76.4 141.5 24.8 14.0 5.3 837 838 A D > - 0 0 58 -2,-0.2 3,-2.0 1,-0.1 4,-0.4 -0.846 20.9-157.4-148.5 105.7 26.9 11.7 7.5 838 839 A L G >> S+ 0 0 1 -2,-0.3 3,-1.2 1,-0.3 4,-0.8 0.757 88.7 70.9 -52.9 -32.0 25.3 9.7 10.3 839 840 A S G 34 S+ 0 0 55 1,-0.3 -1,-0.3 2,-0.2 9,-0.1 0.576 89.0 65.6 -65.5 -8.7 28.6 9.3 12.2 840 841 A I G <4 S+ 0 0 85 -3,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.829 108.9 35.3 -80.1 -34.8 28.4 13.0 13.0 841 842 A Y T <4 S+ 0 0 29 -3,-1.2 2,-0.3 -4,-0.4 -2,-0.2 0.448 128.2 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