==== 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 1S0F . COMPND 2 MOLECULE: BOTULINUM NEUROTOXIN TYPE B; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM BOTULINUM; . AUTHOR S.ESWARAMOORTHY,D.KUMARAN,J.KELLER,S.SWAMINATHAN . 1276 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 835 65.4 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 . 218 17.1 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 . 10 0.8 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 . 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 . 119 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 126 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 293 23.0 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 1 4 3 3 1 0 1 1 3 1 0 0 2 0 0 1 0 0 0 0 2 0 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 . 14 16 7 7 2 5 3 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 . 10 5 0 0 0 1 1 2 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 P 0 0 144 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-127.0 43.3 6.9 46.0 2 2 A V - 0 0 7 97,-0.1 2,-0.5 37,-0.0 107,-0.0 -0.919 360.0-156.5-109.7 120.0 39.8 5.7 46.9 3 3 A T - 0 0 102 -2,-0.6 2,-0.7 0, 0.0 37,-0.2 -0.830 2.5-155.1 -99.2 126.5 39.4 3.6 50.1 4 4 A I - 0 0 12 -2,-0.5 35,-0.2 35,-0.1 34,-0.1 -0.892 20.3-140.8-101.1 113.9 36.4 1.3 50.5 5 5 A N - 0 0 42 33,-2.5 2,-0.4 -2,-0.7 31,-0.0 -0.241 7.8-140.7 -71.5 160.9 35.6 0.8 54.2 6 6 A N + 0 0 126 2,-0.0 2,-0.3 31,-0.0 31,-0.1 -0.979 30.4 147.1-126.4 137.0 34.6 -2.5 55.7 7 7 A F - 0 0 13 -2,-0.4 2,-0.4 78,-0.1 3,-0.1 -0.925 38.9-120.9-152.7 177.1 32.0 -3.1 58.4 8 8 A N > - 0 0 78 -2,-0.3 3,-2.9 1,-0.1 77,-0.1 -0.985 29.5-120.6-126.5 136.5 29.4 -5.6 59.7 9 9 A Y T 3 S+ 0 0 20 -2,-0.4 -1,-0.1 1,-0.3 73,-0.1 0.864 114.2 50.6 -43.7 -43.8 25.8 -4.6 60.0 10 10 A N T 3 S+ 0 0 110 71,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.546 79.9 120.2 -76.0 -7.4 25.9 -5.4 63.7 11 11 A D S < S- 0 0 63 -3,-2.9 2,-0.0 1,-0.1 -4,-0.0 -0.195 74.9 -93.9 -52.7 150.1 29.1 -3.3 64.4 12 12 A P - 0 0 108 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.322 35.2-102.3 -71.8 154.4 28.3 -0.6 67.0 13 13 A I + 0 0 72 1,-0.1 6,-0.2 -3,-0.1 21,-0.0 -0.466 38.2 172.4 -68.6 142.4 27.3 2.9 66.2 14 14 A D - 0 0 82 4,-2.6 5,-0.2 -2,-0.1 -1,-0.1 0.359 42.7-124.9-133.2 -1.3 30.2 5.3 66.7 15 15 A N S S+ 0 0 50 3,-2.1 4,-0.2 1,-0.1 -2,-0.1 0.618 98.0 65.8 64.7 14.8 28.6 8.5 65.3 16 16 A N S S- 0 0 75 2,-0.5 3,-0.1 21,-0.0 -1,-0.1 0.598 120.6 -0.4-125.2 -67.7 31.5 8.8 62.9 17 17 A N S S+ 0 0 47 1,-0.3 20,-2.8 19,-0.1 2,-0.4 0.575 137.5 42.6-104.5 -14.3 31.6 6.0 60.3 18 18 A I E S+A 36 0A 11 18,-0.2 -4,-2.6 2,-0.0 -3,-2.1 -0.958 82.2 159.1-132.9 112.1 28.6 4.2 61.6 19 19 A I E -A 35 0A 0 16,-2.1 16,-2.6 -2,-0.4 2,-0.7 -0.682 51.4-113.8-129.3 179.3 25.7 6.4 62.5 20 20 A M E -A 34 0A 26 120,-0.3 120,-3.9 14,-0.2 14,-0.2 -0.926 49.4-164.6-113.6 93.6 22.0 6.7 63.1 21 21 A M E -AB 33 139A 0 12,-2.5 12,-2.8 -2,-0.7 118,-0.3 -0.543 22.3-143.3 -86.7 150.9 21.2 9.0 60.1 22 22 A E E - B 0 138A 6 116,-2.9 116,-0.7 10,-0.2 10,-0.1 -0.923 30.1-137.3-113.0 97.0 18.0 11.1 59.6 23 23 A P > > - 0 0 1 0, 0.0 3,-2.1 0, 0.0 5,-0.6 -0.188 18.3-111.1 -56.8 148.4 17.5 10.9 55.8 24 24 A P G > 5S+ 0 0 11 0, 0.0 3,-0.9 0, 0.0 109,-0.1 0.793 114.9 52.0 -49.9 -38.2 16.4 14.1 53.9 25 25 A F G 3 5S+ 0 0 9 1,-0.2 27,-0.1 2,-0.1 488,-0.0 0.389 91.1 72.0 -87.5 4.7 12.9 12.8 53.2 26 26 A A G X 5S- 0 0 16 -3,-2.1 3,-0.7 25,-0.1 -1,-0.2 0.558 93.5-142.8 -89.0 -9.7 12.1 11.9 56.7 27 27 A R T < 5 - 0 0 107 -3,-0.9 484,-0.2 -4,-0.4 -2,-0.1 0.627 56.9 -72.9 58.0 13.9 11.9 15.7 57.2 28 28 A G T 3 S- C 0 42A 1 3,-1.2 3,-1.4 -35,-0.2 -1,-0.1 -0.901 104.3 -53.1-155.3 175.2 33.8 5.9 51.4 40 40 A D T 3 S- 0 0 85 -2,-0.3 3,-0.1 1,-0.3 115,-0.1 -0.380 125.1 -2.5 -59.0 131.2 34.1 9.6 52.2 41 41 A R T 3 S+ 0 0 7 113,-0.2 115,-2.9 1,-0.1 116,-2.0 0.353 110.7 104.5 70.6 -7.1 30.7 11.3 51.7 42 42 A I E < -Cd 39 157A 0 -3,-1.4 -3,-1.2 114,-0.2 -4,-1.0 -0.933 50.8-168.9-111.5 127.8 29.0 8.2 50.5 43 43 A W E -Cd 37 158A 0 114,-2.6 116,-2.7 -2,-0.5 2,-0.5 -0.860 13.6-149.4-118.2 150.6 26.6 6.3 52.8 44 44 A I E -Cd 36 159A 0 -8,-2.5 -8,-2.4 -2,-0.3 116,-0.2 -0.972 10.1-178.0-120.6 123.5 24.9 2.9 52.8 45 45 A I E - d 0 160A 0 114,-2.8 2,-2.6 -2,-0.5 116,-0.7 -0.887 16.1-155.3-120.8 94.3 21.5 2.4 54.4 46 46 A P + 0 0 0 0, 0.0 2,-0.3 0, 0.0 41,-0.1 -0.294 58.4 96.7 -68.2 57.4 20.6 -1.4 54.0 47 47 A E S S- 0 0 39 -2,-2.6 114,-2.8 114,-0.1 -2,-0.1 -0.951 83.2 -78.4-144.1 161.0 16.9 -1.0 54.2 48 48 A R - 0 0 28 -2,-0.3 2,-0.8 30,-0.2 115,-0.2 -0.315 43.0-119.1 -62.8 140.3 13.9 -0.6 51.9 49 49 A Y + 0 0 1 113,-2.1 -1,-0.1 112,-0.3 144,-0.0 -0.738 44.5 162.3 -81.1 112.9 13.4 2.8 50.4 50 50 A T > + 0 0 59 -2,-0.8 3,-2.2 113,-0.1 2,-0.6 0.467 22.9 127.4-113.0 -3.8 9.9 3.7 51.7 51 51 A F T 3 S+ 0 0 17 1,-0.3 3,-0.1 466,-0.1 -25,-0.1 -0.397 86.8 4.2 -63.4 107.4 9.9 7.5 51.1 52 52 A G T 3 S+ 0 0 22 -2,-0.6 466,-2.6 1,-0.4 -1,-0.3 0.413 112.0 100.2 100.9 0.1 6.7 8.3 49.2 53 53 A Y < - 0 0 35 -3,-2.2 -1,-0.4 464,-0.1 466,-0.1 -0.707 66.0-125.7-114.8 166.9 5.3 4.8 49.1 54 54 A K >> - 0 0 88 -2,-0.2 3,-1.5 1,-0.1 4,-0.6 -0.870 27.5-116.4-110.4 145.1 2.6 3.0 51.1 55 55 A P G >4 S+ 0 0 104 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.879 116.3 53.4 -45.4 -47.0 3.4 -0.3 52.9 56 56 A E G >4 S+ 0 0 114 1,-0.3 3,-2.5 2,-0.2 -3,-0.0 0.797 92.1 73.7 -61.4 -29.1 0.9 -2.2 50.7 57 57 A D G <4 S+ 0 0 8 -3,-1.5 -1,-0.3 1,-0.3 4,-0.1 0.732 86.2 66.9 -56.7 -22.6 2.6 -0.9 47.6 58 58 A F G << S+ 0 0 17 -3,-1.7 -1,-0.3 -4,-0.6 16,-0.3 0.635 88.3 79.7 -74.9 -14.4 5.4 -3.4 48.4 59 59 A N S < S- 0 0 85 -3,-2.5 2,-0.4 -4,-0.2 15,-0.1 -0.634 96.0-101.9 -91.4 152.6 3.0 -6.3 47.7 60 60 A K + 0 0 88 -2,-0.2 2,-0.2 13,-0.1 -2,-0.1 -0.620 55.9 160.5 -75.4 126.3 2.4 -7.4 44.1 61 61 A S - 0 0 50 -2,-0.4 2,-0.2 2,-0.4 -1,-0.0 -0.624 58.1 -81.3-131.7-169.3 -1.0 -6.0 43.0 62 62 A S S S+ 0 0 105 -2,-0.2 461,-1.5 367,-0.1 2,-0.3 -0.161 104.5 82.5 -91.6 41.7 -3.0 -5.3 39.8 63 63 A G E -I 522 0B 5 -2,-0.2 -2,-0.4 459,-0.2 2,-0.3 -0.864 61.0-155.3-136.1 169.9 -1.1 -2.1 39.5 64 64 A I E -I 521 0B 0 457,-2.5 457,-2.9 -2,-0.3 3,-0.1 -0.983 15.0-154.1-146.6 153.5 2.3 -0.9 38.3 65 65 A F S S+ 0 0 35 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.816 88.6 34.9 -94.8 -41.1 4.6 2.1 39.0 66 66 A N > - 0 0 40 3,-0.1 3,-0.6 1,-0.1 -1,-0.3 -0.932 67.9-150.3-116.7 139.4 6.4 2.2 35.7 67 67 A R T 3 S+ 0 0 45 -2,-0.4 364,-0.4 1,-0.2 381,-0.2 0.822 93.3 46.1 -77.7 -31.6 4.8 1.4 32.4 68 68 A D T 3 S+ 0 0 32 362,-0.1 2,-0.4 380,-0.1 -1,-0.2 -0.029 97.2 85.9-105.5 33.9 7.8 0.1 30.6 69 69 A V S < S- 0 0 32 -3,-0.6 2,-1.4 360,-0.0 362,-0.4 -0.986 71.5-133.1-133.9 142.6 9.2 -2.2 33.2 70 70 A C - 0 0 10 -2,-0.4 360,-0.2 307,-0.3 2,-0.1 -0.743 42.5-148.7 -91.3 88.3 8.5 -5.8 34.1 71 71 A E E -J 429 0C 0 358,-1.6 358,-2.2 -2,-1.4 2,-0.4 -0.356 14.7-159.3 -69.8 135.8 8.3 -5.2 37.9 72 72 A Y E -J 428 0C 17 356,-0.2 94,-1.8 -2,-0.1 95,-0.4 -0.941 9.8-162.9-113.0 131.6 9.3 -7.7 40.6 73 73 A Y B +K 165 0D 2 354,-1.6 92,-0.1 -2,-0.4 -13,-0.1 -0.923 21.1 156.9-119.2 142.6 7.9 -7.3 44.1 74 74 A D > - 0 0 32 90,-0.6 3,-1.1 -2,-0.4 -15,-0.1 -0.666 17.6-171.3-162.8 97.1 9.1 -8.9 47.4 75 75 A P T 3 S+ 0 0 53 0, 0.0 -16,-0.1 0, 0.0 -27,-0.1 0.589 85.7 64.0 -69.5 -6.5 8.2 -7.2 50.7 76 76 A D T > + 0 0 87 2,-0.1 3,-1.8 3,-0.0 4,-0.1 0.615 69.0 113.3 -93.0 -15.3 10.6 -9.6 52.4 77 77 A Y T < S+ 0 0 29 -3,-1.1 -29,-0.2 1,-0.3 -3,-0.1 -0.382 92.0 6.9 -58.2 131.3 13.8 -8.5 50.8 78 78 A L T 3 S+ 0 0 9 -31,-0.1 -1,-0.3 1,-0.1 -30,-0.2 0.737 89.8 129.6 65.9 26.3 16.0 -6.9 53.6 79 79 A N < + 0 0 77 -3,-1.8 2,-0.3 -32,-0.1 -2,-0.1 0.387 61.9 50.8 -94.1 5.9 13.6 -7.8 56.4 80 80 A T S > S- 0 0 60 -4,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.923 85.6-115.1-134.7 161.1 16.2 -9.4 58.7 81 81 A N H > S+ 0 0 79 -2,-0.3 4,-1.9 1,-0.2 5,-0.1 0.845 116.8 53.3 -65.2 -34.4 19.6 -8.3 60.0 82 82 A D H > S+ 0 0 110 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.835 108.1 50.4 -70.2 -31.4 21.4 -11.0 58.1 83 83 A K H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.901 110.2 51.4 -69.0 -39.1 19.8 -9.9 54.9 84 84 A K H X S+ 0 0 27 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.850 109.0 49.8 -65.5 -36.0 20.9 -6.3 55.8 85 85 A N H X S+ 0 0 25 -4,-1.9 4,-3.1 2,-0.2 5,-0.2 0.898 108.4 52.3 -71.5 -37.4 24.4 -7.5 56.3 86 86 A I H X S+ 0 0 62 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.934 108.7 51.1 -62.0 -44.8 24.5 -9.3 53.0 87 87 A F H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.920 111.8 48.7 -57.0 -44.2 23.3 -6.2 51.2 88 88 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.943 112.5 45.9 -61.4 -51.0 26.1 -4.3 53.0 89 89 A Q H X S+ 0 0 46 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.880 112.5 51.6 -62.7 -37.0 28.8 -6.8 52.0 90 90 A T H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.917 107.7 51.5 -67.4 -41.4 27.5 -6.9 48.5 91 91 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.907 110.1 51.1 -60.5 -38.8 27.7 -3.2 48.2 92 92 A I H X S+ 0 0 9 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.911 110.2 48.1 -64.8 -42.6 31.2 -3.3 49.4 93 93 A K H X S+ 0 0 18 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.933 111.5 50.8 -65.3 -41.3 32.2 -6.0 46.8 94 94 A L H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.899 109.1 49.4 -63.2 -42.0 30.5 -3.9 44.0 95 95 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.875 110.4 52.4 -64.2 -37.0 32.4 -0.7 45.0 96 96 A N H X S+ 0 0 37 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.876 108.6 50.2 -66.4 -35.4 35.6 -2.8 45.0 97 97 A R H < S+ 0 0 2 -4,-2.1 3,-0.4 1,-0.2 4,-0.2 0.894 108.1 54.5 -68.6 -37.6 34.8 -4.0 41.5 98 98 A I H >< S+ 0 0 0 -4,-2.2 3,-0.8 1,-0.2 6,-0.3 0.920 112.8 40.3 -63.1 -43.4 34.2 -0.4 40.4 99 99 A K H 3< S+ 0 0 62 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.544 87.9 91.5 -85.4 -3.6 37.5 0.8 41.5 100 100 A S T 3< S+ 0 0 49 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.1 0.673 90.7 54.6 -61.5 -14.2 39.4 -2.3 40.3 101 101 A K S <> S- 0 0 63 -3,-0.8 4,-2.5 -4,-0.2 5,-0.2 -0.951 87.4-126.5-123.8 143.3 39.8 -0.2 37.1 102 102 A P H > S+ 0 0 64 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.905 108.8 53.5 -49.9 -51.4 41.2 3.3 36.7 103 103 A L H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -4,-0.1 0.907 112.6 42.0 -52.9 -50.4 38.1 4.5 34.9 104 104 A G H > S+ 0 0 0 -6,-0.3 4,-2.1 1,-0.2 -5,-0.2 0.871 110.0 57.4 -68.1 -38.2 35.7 3.5 37.6 105 105 A E H X S+ 0 0 42 -4,-2.5 4,-2.2 -7,-0.3 -1,-0.2 0.912 105.9 51.2 -59.4 -40.2 38.0 4.7 40.3 106 106 A K H X S+ 0 0 28 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.907 106.0 55.0 -62.8 -40.4 37.9 8.2 38.7 107 107 A L H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.911 109.8 46.6 -56.9 -45.1 34.1 8.1 38.7 108 108 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.883 112.5 51.4 -64.2 -41.2 34.1 7.4 42.4 109 109 A E H X S+ 0 0 27 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.944 108.7 47.3 -62.2 -54.4 36.7 10.2 43.0 110 110 A M H X S+ 0 0 8 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.898 115.3 49.3 -54.5 -42.0 34.8 12.9 41.1 111 111 A I H < S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.889 111.4 47.1 -66.5 -41.2 31.7 11.9 43.0 112 112 A I H < S+ 0 0 12 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.917 120.7 37.7 -68.1 -42.6 33.4 11.9 46.4 113 113 A N H < S+ 0 0 26 -4,-2.9 2,-2.2 1,-0.2 -2,-0.2 0.606 90.8 92.1 -84.7 -13.6 35.0 15.3 45.8 114 114 A G < + 0 0 0 -4,-1.6 -1,-0.2 -5,-0.3 3,-0.1 -0.219 64.6 178.7 -77.0 51.1 32.0 16.8 43.9 115 115 A I - 0 0 5 -2,-2.2 41,-0.1 1,-0.1 3,-0.1 -0.216 34.4 -99.7 -57.0 141.2 30.7 18.2 47.2 116 116 A P - 0 0 7 0, 0.0 71,-0.2 0, 0.0 -1,-0.1 -0.317 39.9-103.6 -62.3 140.0 27.5 20.2 46.9 117 117 A Y - 0 0 0 69,-2.3 2,-1.9 121,-0.2 69,-0.1 -0.337 42.3-104.1 -59.4 148.4 27.8 24.0 46.9 118 118 A L S S+ 0 0 3 -3,-0.1 11,-1.8 70,-0.0 2,-0.2 -0.554 91.1 1.1 -80.1 83.2 26.8 25.3 50.3 119 119 A G S S- 0 0 0 -2,-1.9 2,-0.3 9,-0.2 -2,-0.1 -0.790 70.1-118.9 134.1-178.2 23.4 26.6 49.4 120 120 A D > - 0 0 8 -2,-0.2 3,-3.3 66,-0.1 68,-0.0 -0.872 53.3 -58.2-149.3-178.6 21.0 27.0 46.5 121 121 A R T 3 S+ 0 0 125 1,-0.3 4,-0.1 -2,-0.3 59,-0.0 0.711 127.9 58.3 -38.0 -34.3 19.2 29.7 44.4 122 122 A R T 3 S+ 0 0 87 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.729 87.0 96.1 -72.8 -20.8 17.5 31.1 47.5 123 123 A V S < S- 0 0 7 -3,-3.3 6,-0.0 1,-0.1 -4,-0.0 -0.556 83.6-110.2 -79.5 130.2 20.8 31.8 49.2 124 124 A P > - 0 0 63 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 -0.182 27.3-116.8 -54.1 143.3 22.4 35.4 48.9 125 125 A L T 3 S+ 0 0 55 1,-0.3 179,-0.2 -4,-0.1 -2,-0.1 0.821 113.7 54.4 -54.0 -34.2 25.5 35.6 46.8 126 126 A E T 3 S+ 0 0 89 179,-0.2 180,-3.3 180,-0.1 181,-1.9 0.512 103.0 74.8 -80.3 -4.5 27.6 36.6 49.7 127 127 A E E < -l 307 0E 56 -3,-2.1 2,-0.5 178,-0.2 181,-0.2 -0.784 59.0-151.6-120.4 159.6 26.6 33.6 51.9 128 128 A F E -l 308 0E 0 179,-1.5 181,-0.6 -2,-0.3 182,-0.6 -0.982 20.9-170.1-114.8 122.8 27.1 29.9 52.4 129 129 A N + 0 0 43 -11,-1.8 3,-0.1 -2,-0.5 -6,-0.1 -0.903 16.4 171.0-123.4 105.8 24.0 28.4 54.0 130 130 A T + 0 0 2 -2,-0.6 2,-1.5 1,-0.2 6,-0.4 0.565 60.4 92.2 -85.7 -9.7 24.5 24.8 55.1 131 131 A N + 0 0 37 4,-0.1 2,-0.4 -13,-0.1 -1,-0.2 -0.212 63.3 105.1 -82.7 49.6 21.2 24.8 56.8 132 132 A I S >> S- 0 0 2 -2,-1.5 3,-2.8 -3,-0.1 4,-2.1 -0.994 77.8-122.4-131.0 138.1 19.3 23.4 53.8 133 133 A A T 34 S+ 0 0 2 377,-0.5 380,-0.1 379,-0.5 378,-0.1 0.589 110.3 58.2 -52.2 -15.6 18.1 19.8 53.3 134 134 A S T 34 S+ 0 0 1 54,-0.1 55,-2.3 40,-0.1 -1,-0.3 0.492 116.8 31.3 -94.7 -5.1 20.2 19.4 50.1 135 135 A V T <4 S+ 0 0 4 -3,-2.8 20,-0.8 1,-0.3 2,-0.4 0.740 116.8 43.1-116.0 -50.7 23.4 20.1 51.9 136 136 A T E < - E 0 154A 2 -4,-2.1 2,-0.4 -6,-0.4 -1,-0.3 -0.849 54.7-177.3-109.4 137.8 23.2 18.9 55.5 137 137 A V E - E 0 153A 2 16,-2.6 16,-1.7 -2,-0.4 2,-0.2 -0.979 24.7-123.8-128.9 141.4 21.8 15.7 56.9 138 138 A N E -BE 22 152A 1 -116,-0.7 -116,-2.9 -2,-0.4 2,-0.4 -0.514 13.9-160.4 -89.6 156.2 21.6 14.9 60.6 139 139 A K E -BE 21 151A 6 12,-2.5 12,-2.5 -118,-0.3 2,-0.8 -0.992 25.6-122.5-130.4 134.0 23.0 11.9 62.5 140 140 A L E + E 0 150A 5 -120,-3.9 -120,-0.3 -2,-0.4 10,-0.2 -0.716 34.3 167.7 -83.9 109.9 21.5 11.1 66.0 141 141 A I + 0 0 33 8,-1.6 -1,-0.2 -2,-0.8 9,-0.2 0.801 44.6 110.4 -86.5 -33.8 24.3 11.1 68.6 142 142 A S S S- 0 0 9 7,-2.0 3,-0.1 1,-0.1 5,-0.1 0.173 82.4 -88.9 -35.3 156.4 21.8 11.0 71.5 143 143 A N > - 0 0 88 1,-0.2 3,-1.2 2,-0.1 2,-0.2 -0.072 65.0 -64.6 -63.7 174.4 21.6 7.8 73.5 144 144 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.445 119.9 18.9 -68.6 131.8 19.2 5.0 72.4 145 145 A G T 3 S+ 0 0 71 -2,-0.2 2,-0.3 1,-0.2 -2,-0.1 0.513 113.5 76.4 89.3 5.7 15.5 5.7 72.5 146 146 A E < - 0 0 91 -3,-1.2 3,-0.3 3,-0.1 -1,-0.2 -0.996 62.5-148.7-149.5 150.3 15.9 9.5 72.5 147 147 A V + 0 0 79 -2,-0.3 3,-0.1 1,-0.2 -6,-0.1 -0.136 50.8 134.5-107.4 33.7 16.7 12.4 70.2 148 148 A E S S+ 0 0 98 1,-0.2 2,-0.4 -5,-0.2 -1,-0.2 0.864 73.1 33.8 -52.5 -36.8 18.3 14.6 72.8 149 149 A R + 0 0 131 -3,-0.3 -7,-2.0 -6,-0.1 -8,-1.6 -0.963 58.9 176.6-134.1 127.4 21.2 15.3 70.3 150 150 A K E -E 140 0A 64 -2,-0.4 2,-0.4 -10,-0.2 357,-0.2 -0.983 10.7-166.7-122.9 127.8 21.4 15.7 66.6 151 151 A K E -E 139 0A 99 -12,-2.5 -12,-2.5 -2,-0.4 2,-0.2 -0.891 17.5-128.5-113.0 144.6 24.7 16.6 64.8 152 152 A G E +EF 138 505A 0 353,-1.1 353,-2.2 -2,-0.4 2,-0.3 -0.581 24.9 179.8 -93.4 155.9 24.9 17.7 61.2 153 153 A I E -EF 137 504A 0 -16,-1.7 -16,-2.6 351,-0.2 2,-0.3 -0.984 26.7-121.8-148.8 154.8 27.1 16.3 58.5 154 154 A F E +E 136 0A 11 349,-2.2 2,-0.3 -2,-0.3 -113,-0.2 -0.719 36.1 175.3 -94.2 150.0 27.7 17.0 54.8 155 155 A A - 0 0 0 -20,-0.8 -113,-0.2 -2,-0.3 3,-0.1 -0.960 28.0-162.7-150.8 161.7 27.2 14.1 52.5 156 156 A N S S+ 0 0 0 -115,-2.9 34,-2.5 1,-0.4 2,-0.4 0.712 75.9 17.9-115.1 -43.4 27.2 13.5 48.7 157 157 A L E -dg 42 190A 0 -116,-2.0 -114,-2.6 32,-0.2 2,-0.4 -0.994 51.1-169.7-138.3 140.7 25.4 10.2 48.1 158 158 A I E -dg 43 191A 0 32,-2.4 34,-2.0 -2,-0.4 2,-0.6 -0.947 12.7-163.2-130.9 110.8 23.0 8.1 50.2 159 159 A I E -dg 44 192A 0 -116,-2.7 -114,-2.8 -2,-0.4 34,-0.2 -0.853 9.9-178.1-100.7 119.0 22.3 4.6 48.8 160 160 A F E -dg 45 193A 0 32,-3.5 34,-1.4 -2,-0.6 -112,-0.2 -0.499 33.8 -96.2-102.6 174.9 19.2 2.7 50.1 161 161 A G - 0 0 0 -114,-2.8 -112,-0.3 -116,-0.7 34,-0.2 -0.222 66.6 -60.5 -77.8-179.0 17.9 -0.7 49.3 162 162 A P - 0 0 2 0, 0.0 -113,-2.1 0, 0.0 -1,-0.2 -0.075 45.4-131.1 -64.0 163.8 15.2 -1.0 46.7 163 163 A G - 0 0 1 2,-0.5 -113,-0.1 5,-0.3 5,-0.1 0.042 63.2 -51.9 -90.2-153.7 11.8 0.6 46.9 164 164 A P S S+ 0 0 2 0, 0.0 2,-0.8 0, 0.0 -90,-0.6 0.890 132.3 57.3 -52.4 -43.7 8.6 -1.5 46.1 165 165 A V B > S-K 73 0D 3 1,-0.2 3,-1.9 3,-0.2 -2,-0.5 -0.810 74.4-157.8 -94.4 109.7 9.9 -2.8 42.8 166 166 A L T 3 S+ 0 0 0 -94,-1.8 -1,-0.2 -2,-0.8 32,-0.1 0.841 90.5 46.9 -54.1 -40.9 13.3 -4.6 43.4 167 167 A N T 3 S+ 0 0 26 -95,-0.4 2,-0.7 1,-0.2 -1,-0.3 0.236 88.3 93.0 -90.0 15.8 14.5 -4.1 39.8 168 168 A E < + 0 0 40 -3,-1.9 -5,-0.3 -96,-0.2 -1,-0.2 -0.585 56.5 179.8-108.5 70.4 13.6 -0.5 39.6 169 169 A N + 0 0 32 -2,-0.7 2,-0.3 26,-0.1 25,-0.2 -0.407 7.3 174.1 -68.7 144.5 16.9 1.3 40.6 170 170 A E E -H 193 0A 75 23,-1.8 23,-2.3 -2,-0.1 2,-0.5 -0.990 30.2-137.5-157.0 144.4 16.8 5.1 40.6 171 171 A T E -H 192 0A 14 -2,-0.3 2,-0.4 21,-0.2 21,-0.3 -0.920 26.9-161.4-107.1 125.1 18.9 8.1 41.5 172 172 A I E -H 191 0A 9 19,-3.6 19,-2.9 -2,-0.5 2,-0.2 -0.880 7.6-159.3-113.6 134.7 17.0 10.9 43.2 173 173 A D - 0 0 13 -2,-0.4 2,-0.5 17,-0.2 17,-0.1 -0.669 29.1-105.0-105.0 163.2 17.9 14.6 43.7 174 174 A I - 0 0 5 15,-0.4 7,-0.6 -2,-0.2 2,-0.5 -0.781 28.2-163.5 -94.0 126.3 16.4 16.9 46.4 175 175 A G E -MN 180 514F 2 339,-0.5 339,-2.9 -2,-0.5 2,-0.4 -0.937 5.3-173.2-111.3 126.9 13.9 19.5 45.3 176 176 A I E > S-M 179 0F 8 3,-1.9 3,-2.1 -2,-0.5 337,-0.1 -0.980 72.9 -11.3-120.8 127.6 13.1 22.5 47.7 177 177 A Q T 3 S- 0 0 103 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.923 130.1 -54.0 47.9 49.6 10.3 24.9 46.9 178 178 A N T 3 S+ 0 0 136 1,-0.2 -1,-0.3 -3,-0.2 2,-0.2 0.432 119.4 100.8 69.6 0.3 10.0 23.5 43.4 179 179 A H E < -M 176 0F 75 -3,-2.1 -3,-1.9 5,-0.0 2,-0.4 -0.720 59.7-142.1-114.4 167.1 13.6 23.9 42.5 180 180 A F E > -M 175 0F 50 -2,-0.2 3,-2.0 -5,-0.2 4,-0.4 -0.940 7.8-163.3-133.8 113.9 16.6 21.6 42.4 181 181 A A G > >S+ 0 0 6 -7,-0.6 6,-2.6 -2,-0.4 5,-1.0 0.830 95.7 61.5 -59.6 -31.6 20.1 22.6 43.4 182 182 A S G 3 5S+ 0 0 1 -8,-0.4 60,-1.8 1,-0.2 -1,-0.3 0.504 107.4 44.1 -75.1 -2.9 21.4 19.6 41.5 183 183 A R G < 5S+ 0 0 55 -3,-2.0 -1,-0.2 58,-0.2 -2,-0.2 0.338 109.1 57.4-119.3 3.3 20.0 21.0 38.3 184 184 A E T < 5S- 0 0 33 -3,-1.0 57,-0.2 -4,-0.4 -2,-0.1 -0.052 118.3 -90.3-126.7 34.4 21.2 24.6 38.8 185 185 A G T 5S+ 0 0 0 55,-2.8 -3,-0.1 -3,-0.1 56,-0.1 0.204 108.7 88.3 82.6 -17.2 25.0 24.3 39.2 186 186 A F S > - 0 0 0 145,-0.4 4,-1.7 1,-0.1 3,-1.4 -0.793 22.5-144.7 -84.4 116.2 26.5 -7.1 35.8 223 223 A P H 3> S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.750 96.1 66.2 -57.5 -23.9 25.2 -5.2 38.9 224 224 A A H 3> S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.870 104.0 44.5 -66.4 -35.7 28.4 -3.3 39.1 225 225 A L H <> S+ 0 0 6 -3,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.902 110.5 53.9 -72.5 -42.2 27.6 -1.6 35.7 226 226 A I H X S+ 0 0 26 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.887 111.3 47.1 -57.8 -38.3 24.1 -1.0 36.8 227 227 A L H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.872 110.6 50.6 -72.1 -38.0 25.5 0.7 39.9 228 228 A M H X S+ 0 0 0 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.848 106.1 56.7 -69.2 -30.9 27.9 2.7 37.9 229 229 A H H X S+ 0 0 13 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.927 109.7 44.7 -63.3 -44.7 25.1 3.8 35.6 230 230 A E H X S+ 0 0 16 -4,-1.6 4,-2.2 1,-0.2 -2,-0.2 0.852 109.0 58.0 -67.8 -33.4 23.3 5.2 38.7 231 231 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.765 100.2 56.8 -67.8 -26.9 26.5 6.7 39.9 232 232 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 -3,-0.3 -1,-0.2 0.953 107.1 47.8 -69.4 -45.3 26.8 8.7 36.6 233 233 A H H X S+ 0 0 15 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.935 112.5 51.0 -55.6 -44.8 23.3 10.2 37.4 234 234 A V H X S+ 0 0 0 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.896 107.7 52.1 -58.9 -42.5 24.7 10.9 40.8 235 235 A L H >X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 3,-0.5 0.948 109.2 49.1 -60.0 -50.7 27.7 12.6 39.4 236 236 A H H 3<>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 6,-0.5 0.920 112.1 48.9 -55.1 -47.9 25.6 14.9 37.2 237 237 A G H 3<5S+ 0 0 0 -4,-2.4 -49,-0.6 1,-0.2 -1,-0.2 0.745 108.4 53.5 -65.9 -25.1 23.4 15.8 40.1 238 238 A L H <<5S+ 0 0 0 -4,-1.5 -121,-0.2 -3,-0.5 -1,-0.2 0.854 111.7 44.3 -78.1 -35.3 26.5 16.6 42.3 239 239 A Y T <5S- 0 0 10 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.401 112.6-125.7 -87.3 4.9 27.9 18.9 39.8 240 240 A G T 5S+ 0 0 0 -5,-0.2 -55,-2.8 -4,-0.2 -3,-0.2 0.772 77.7 120.5 57.4 30.8 24.4 20.3 39.4 241 241 A I < + 0 0 2 -5,-2.4 2,-1.1 -6,-0.2 -4,-0.2 0.126 29.7 112.7-107.3 16.9 24.4 19.8 35.7 242 242 A K + 0 0 26 -60,-1.8 -1,-0.1 -6,-0.5 -5,-0.1 -0.137 53.3 171.1 -82.5 43.5 21.4 17.5 35.7 243 243 A V - 0 0 6 -2,-1.1 23,-0.3 44,-0.1 2,-0.3 -0.116 31.3-129.8 -60.5 147.7 19.5 20.2 33.8 244 244 A D + 0 0 69 -61,-0.2 2,-0.2 21,-0.1 -1,-0.1 -0.710 40.6 146.6 -94.7 148.3 16.0 19.7 32.4 245 245 A D - 0 0 23 -2,-0.3 38,-0.0 45,-0.0 21,-0.0 -0.784 57.0 -22.2-156.9-161.4 15.4 20.7 28.7 246 246 A L S S- 0 0 54 -2,-0.2 19,-0.2 37,-0.1 215,-0.1 -0.451 70.8-150.1 -62.9 114.9 13.3 19.6 25.7 247 247 A P - 0 0 30 0, 0.0 2,-0.8 0, 0.0 17,-0.2 -0.318 18.2-109.7 -84.5 166.8 12.4 15.9 26.4 248 248 A I B -S 263 0I 3 15,-2.2 15,-1.9 -2,-0.1 31,-0.0 -0.883 41.8-168.2 -95.4 111.3 11.8 13.0 24.0 249 249 A 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