==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAY-11 3S44 . COMPND 2 MOLECULE: ALPHA-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR G.SUGIARTO,K.LAU,Y.LI,S.LIM,J.B.AMES,D.-T.LE,A.J.FISHER,X.CH . 388 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 15.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.5 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 . 24 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 15.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 3 1 4 2 0 2 1 0 1 0 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 2 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 25 A M 0 0 137 0, 0.0 2,-0.4 0, 0.0 77,-0.2 0.000 360.0 360.0 360.0 161.7 15.1 11.6 36.8 2 26 A K E -a 78 0A 102 75,-2.0 77,-2.9 72,-0.1 2,-0.4 -0.980 360.0-136.3-127.2 141.0 17.0 11.2 33.5 3 27 A T E -a 79 0A 26 -2,-0.4 2,-0.4 75,-0.2 77,-0.2 -0.831 15.8-166.2 -93.4 133.6 16.0 12.2 30.0 4 28 A I E -a 80 0A 0 75,-2.5 77,-2.8 -2,-0.4 2,-0.5 -0.991 10.3-147.6-115.5 128.1 16.7 9.7 27.2 5 29 A T E -ab 81 33A 9 27,-2.6 29,-2.5 -2,-0.4 2,-0.4 -0.858 10.3-164.9 -99.2 130.8 16.4 11.0 23.6 6 30 A L E -ab 82 34A 0 75,-2.8 77,-2.6 -2,-0.5 2,-0.6 -0.964 5.5-167.4-117.3 128.6 15.2 8.7 20.9 7 31 A Y E +ab 83 35A 2 27,-3.0 29,-3.6 -2,-0.4 2,-0.4 -0.941 17.5 173.4-118.1 104.4 15.6 9.5 17.2 8 32 A L E + b 0 36A 0 75,-2.4 77,-0.4 -2,-0.6 29,-0.2 -0.959 11.2 136.7-123.0 126.6 13.5 7.1 15.0 9 33 A D E - b 0 37A 0 27,-2.7 29,-1.5 -2,-0.4 30,-0.4 -0.798 31.2-169.0-165.2 127.9 13.0 7.3 11.2 10 34 A P S S+ 0 0 18 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.631 82.5 54.3 -84.3 -14.5 12.9 4.7 8.4 11 35 A A S S- 0 0 13 27,-0.1 28,-0.5 1,-0.1 -2,-0.1 0.273 88.8-108.8 -99.7-145.4 12.9 7.5 5.7 12 36 A S S > S+ 0 0 37 105,-0.3 4,-2.5 3,-0.1 5,-0.2 0.678 97.0 56.4-119.6 -49.5 15.2 10.5 5.1 13 37 A L H > S+ 0 0 1 104,-0.5 4,-1.9 2,-0.2 5,-0.2 0.921 109.3 45.2 -64.5 -47.1 13.7 13.8 5.9 14 38 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.957 113.9 52.2 -59.4 -43.6 12.8 13.2 9.5 15 39 A A H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.894 106.3 53.2 -54.8 -42.6 16.3 11.6 10.0 16 40 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.878 112.3 45.1 -62.7 -36.7 17.9 14.7 8.5 17 41 A N H X S+ 0 0 12 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.842 112.8 50.2 -72.1 -35.7 16.1 16.9 11.0 18 42 A Q H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.899 108.4 51.8 -70.5 -38.7 16.9 14.6 13.9 19 43 A L H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.840 108.4 53.4 -64.5 -30.9 20.6 14.6 13.0 20 44 A M H X S+ 0 0 5 -4,-1.3 4,-2.6 -5,-0.2 -2,-0.2 0.906 107.1 50.8 -67.7 -42.2 20.3 18.4 13.0 21 45 A D H X S+ 0 0 34 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.922 110.8 48.4 -60.5 -43.0 18.8 18.2 16.5 22 46 A F H < S+ 0 0 0 -4,-2.5 3,-0.4 2,-0.2 -2,-0.2 0.941 111.4 50.9 -59.5 -47.3 21.7 15.9 17.6 23 47 A T H >< S+ 0 0 0 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.910 107.3 52.4 -56.3 -46.9 24.2 18.4 16.0 24 48 A Q H 3< S+ 0 0 86 -4,-2.6 3,-0.3 1,-0.3 -1,-0.2 0.806 117.4 39.5 -59.0 -31.6 22.6 21.4 17.9 25 49 A N T >< S+ 0 0 77 -4,-1.4 3,-1.7 -3,-0.4 -1,-0.3 0.132 82.9 115.7-100.6 17.2 23.0 19.5 21.1 26 50 A N T < + 0 0 8 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.559 59.2 70.3 -75.6 -6.9 26.4 18.0 20.3 27 51 A E T 3 S+ 0 0 152 -3,-0.3 2,-1.0 -4,-0.1 -1,-0.3 0.681 82.7 81.2 -77.9 -19.6 28.4 19.8 23.1 28 52 A D < + 0 0 74 -3,-1.7 3,-0.2 1,-0.1 -1,-0.1 -0.793 63.4 179.6 -84.2 101.4 26.6 17.5 25.5 29 53 A K S S+ 0 0 63 -2,-1.0 22,-3.0 1,-0.2 -1,-0.1 0.531 71.4 40.7 -85.2 -4.4 28.7 14.4 25.1 30 54 A T S S+ 0 0 76 20,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.411 70.9 127.5-130.1 -0.7 26.9 12.2 27.6 31 55 A H S S- 0 0 39 -3,-0.2 2,-0.1 1,-0.1 -27,-0.1 -0.393 72.0-104.9 -58.6 128.0 23.2 12.7 27.2 32 56 A P + 0 0 11 0, 0.0 -27,-2.6 0, 0.0 2,-0.4 -0.362 49.7 178.6 -63.3 129.5 21.6 9.3 26.7 33 57 A R E -bc 5 53A 2 19,-2.4 21,-2.4 -29,-0.2 2,-0.4 -0.996 21.3-165.2-137.2 137.4 20.7 8.9 23.0 34 58 A I E -bc 6 54A 0 -29,-2.5 -27,-3.0 -2,-0.4 2,-0.5 -0.993 12.0-161.5-123.2 118.8 19.1 6.1 21.0 35 59 A F E +bc 7 55A 5 19,-2.9 21,-2.5 -2,-0.4 -27,-0.2 -0.909 21.8 164.9-105.9 122.7 19.4 6.3 17.2 36 60 A G E +b 8 0A 1 -29,-3.6 -27,-2.7 -2,-0.5 2,-0.7 -0.610 23.9 143.9-129.0 68.1 17.1 4.2 14.9 37 61 A L E > -b 9 0A 13 3,-0.3 3,-1.8 -29,-0.2 -29,-0.1 -0.872 32.2-165.1-111.3 92.1 17.7 6.0 11.6 38 62 A S T 3 S+ 0 0 69 -29,-1.5 -1,-0.1 -2,-0.7 -26,-0.1 0.712 83.1 45.8 -53.4 -29.9 17.6 3.3 9.0 39 63 A R T 3 S+ 0 0 175 -28,-0.5 2,-0.5 -30,-0.4 -1,-0.3 0.460 103.8 70.4 -96.8 -2.5 19.1 5.3 6.1 40 64 A F < - 0 0 42 -3,-1.8 2,-0.6 2,-0.0 -3,-0.3 -0.971 54.9-165.0-125.6 124.8 22.0 6.9 8.1 41 65 A K - 0 0 178 -2,-0.5 181,-0.1 179,-0.1 -3,-0.0 -0.938 20.9-142.3-100.2 116.1 25.1 5.3 9.4 42 66 A I - 0 0 8 -2,-0.6 178,-0.1 1,-0.1 179,-0.0 -0.611 32.0-108.1 -77.0 128.3 26.8 7.6 12.0 43 67 A P >> - 0 0 36 0, 0.0 4,-2.5 0, 0.0 3,-1.8 -0.282 17.8-121.4 -62.0 147.3 30.6 7.3 11.5 44 68 A D H 3> S+ 0 0 121 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.844 111.4 58.2 -49.5 -44.9 32.6 5.5 14.1 45 69 A N H 34 S+ 0 0 110 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.607 109.5 43.9 -76.5 -6.7 34.8 8.5 14.8 46 70 A I H X4 S+ 0 0 10 -3,-1.8 3,-1.9 2,-0.1 4,-0.3 0.814 111.9 53.5 -87.8 -46.8 31.7 10.6 15.7 47 71 A I H >< S+ 0 0 40 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.880 102.0 58.0 -54.8 -41.8 30.2 7.8 17.8 48 72 A T T 3< S+ 0 0 109 -4,-2.5 -1,-0.3 1,-0.3 -3,-0.1 0.567 94.1 67.2 -72.0 -8.1 33.4 7.4 20.0 49 73 A Q T < S+ 0 0 94 -3,-1.9 2,-0.3 -5,-0.2 -1,-0.3 0.540 98.5 67.2 -77.0 -10.6 33.2 11.1 21.0 50 74 A Y < - 0 0 6 -3,-2.1 2,-0.3 -4,-0.3 3,-0.3 -0.843 65.2-151.1-120.3 148.1 29.9 10.3 22.9 51 75 A Q S S+ 0 0 115 -22,-3.0 3,-0.1 -2,-0.3 -18,-0.1 -0.806 81.3 24.1-108.0 158.1 29.0 8.3 26.0 52 76 A N S S+ 0 0 72 -2,-0.3 -19,-2.4 1,-0.2 2,-0.4 0.833 84.8 146.9 58.1 36.0 25.6 6.7 26.5 53 77 A I E -c 33 0A 25 -3,-0.3 2,-0.3 -21,-0.2 -1,-0.2 -0.891 23.8-177.1-106.8 132.9 25.0 6.5 22.8 54 78 A H E -c 34 0A 26 -21,-2.4 -19,-2.9 -2,-0.4 2,-0.4 -0.922 16.9-148.8-136.3 154.5 23.0 3.6 21.4 55 79 A F E -c 35 0A 92 -2,-0.3 2,-0.3 -21,-0.2 -19,-0.2 -0.975 12.3-178.8-128.6 137.7 21.7 2.2 18.1 56 80 A V - 0 0 13 -21,-2.5 2,-0.2 -2,-0.4 -19,-0.1 -0.991 21.7-128.6-134.0 142.8 18.6 0.2 17.3 57 81 A E - 0 0 154 -2,-0.3 7,-2.0 -21,-0.1 2,-0.4 -0.559 17.4-137.0 -82.6 151.2 17.4 -1.3 14.0 58 82 A L E -G 63 0B 26 5,-0.2 2,-0.4 -2,-0.2 3,-0.1 -0.929 18.2-175.1-103.0 137.6 13.9 -0.8 12.6 59 83 A K E > S-G 62 0B 69 3,-2.7 3,-0.9 -2,-0.4 -2,-0.0 -0.997 75.0 -8.4-129.5 129.5 12.0 -3.6 11.2 60 84 A D T 3 S- 0 0 136 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 0.907 131.3 -54.6 49.7 48.4 8.6 -3.0 9.5 61 85 A N T 3 S+ 0 0 53 1,-0.1 -1,-0.2 -3,-0.1 -3,-0.0 0.730 119.9 99.0 63.6 28.0 8.7 0.6 10.8 62 86 A R E < S-G 59 0B 91 -3,-0.9 -3,-2.7 31,-0.1 30,-0.2 -0.998 77.9-110.4-140.0 139.6 9.2 -0.3 14.4 63 87 A P E -G 58 0B 4 0, 0.0 -5,-0.2 0, 0.0 -27,-0.0 -0.458 44.5-114.2 -64.0 140.7 12.3 -0.5 16.7 64 88 A T > - 0 0 52 -7,-2.0 3,-2.4 -2,-0.1 4,-0.2 -0.213 32.3 -92.6 -69.8 168.7 13.1 -4.1 17.5 65 89 A E T >> S+ 0 0 67 1,-0.3 3,-1.6 2,-0.2 4,-0.9 0.616 114.5 86.0 -56.8 -14.7 13.0 -5.5 21.0 66 90 A A H 3> S+ 0 0 48 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.754 75.3 73.5 -61.3 -20.6 16.7 -4.6 21.4 67 91 A L H <> S+ 0 0 0 -3,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.888 90.5 53.5 -54.6 -40.0 15.2 -1.3 22.4 68 92 A F H <> S+ 0 0 66 -3,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.880 104.1 56.1 -68.1 -35.0 14.1 -2.7 25.8 69 93 A T H < S+ 0 0 91 -4,-0.9 4,-0.4 1,-0.2 -1,-0.2 0.903 109.8 46.5 -60.5 -42.7 17.7 -4.0 26.5 70 94 A I H >< S+ 0 0 12 -4,-1.6 3,-1.6 1,-0.2 -2,-0.2 0.951 112.0 48.2 -65.1 -48.4 18.9 -0.4 26.0 71 95 A L H >< S+ 0 0 0 -4,-2.4 3,-1.9 1,-0.3 -2,-0.2 0.826 102.1 64.6 -65.1 -30.9 16.2 1.2 28.2 72 96 A D T 3< S+ 0 0 93 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.670 87.0 71.1 -66.0 -17.0 16.9 -1.3 30.9 73 97 A Q T < S+ 0 0 114 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.580 94.1 59.9 -72.2 -8.6 20.4 0.1 31.2 74 98 A Y S < S+ 0 0 10 -3,-1.9 -1,-0.2 -4,-0.2 -72,-0.1 -0.813 71.1 174.2-121.3 84.2 18.7 3.2 32.8 75 99 A P + 0 0 96 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.519 49.0 61.7 -83.8 -5.4 17.0 1.7 35.8 76 100 A G S S- 0 0 42 1,-0.2 2,-0.5 30,-0.0 -2,-0.1 0.137 105.2 -34.7 -96.6-148.3 15.6 4.7 37.7 77 101 A N - 0 0 77 30,-0.1 -75,-2.0 28,-0.0 2,-0.4 -0.636 68.3-177.7 -72.6 121.4 13.0 7.4 36.8 78 102 A I E -ad 2 107A 2 28,-3.0 30,-1.9 -2,-0.5 2,-0.4 -0.956 20.5-158.5-128.2 141.8 13.3 8.2 33.1 79 103 A E E -ad 3 108A 50 -77,-2.9 -75,-2.5 -2,-0.4 2,-0.5 -0.971 19.5-138.2-116.3 133.8 11.6 10.7 30.8 80 104 A L E -ad 4 109A 0 28,-2.8 30,-1.9 -2,-0.4 31,-1.5 -0.815 10.9-164.7-101.2 128.4 11.6 10.0 27.0 81 105 A N E -ad 5 111A 22 -77,-2.8 -75,-2.8 -2,-0.5 2,-0.4 -0.958 25.0-166.2-107.7 107.4 12.2 12.7 24.5 82 106 A I E -ad 6 112A 0 29,-2.5 31,-2.4 -2,-0.6 2,-0.5 -0.871 19.0-167.8-115.6 131.8 11.0 11.2 21.3 83 107 A H E +ad 7 113A 2 -77,-2.6 -75,-2.4 -2,-0.4 2,-0.3 -0.968 22.3 172.6-117.9 131.0 11.5 12.2 17.6 84 108 A L E - d 0 114A 0 29,-2.7 31,-2.3 -2,-0.5 2,-0.4 -0.912 40.0-107.9-139.4 154.2 9.5 10.5 14.9 85 109 A N E - d 0 115A 0 -77,-0.4 4,-0.2 -2,-0.3 31,-0.2 -0.733 33.5-139.2 -71.1 128.4 8.4 10.3 11.3 86 110 A I S > S+ 0 0 0 29,-2.5 3,-1.5 -2,-0.4 4,-0.4 0.925 98.9 50.9 -60.5 -53.1 4.8 11.6 11.1 87 111 A A T 3 S+ 0 0 13 28,-0.3 3,-0.3 1,-0.3 -1,-0.2 0.869 122.4 32.5 -53.1 -40.3 3.6 9.0 8.5 88 112 A H T 3> S+ 0 0 51 1,-0.2 4,-2.7 2,-0.1 -1,-0.3 0.185 84.3 114.2-102.4 14.6 5.0 6.1 10.5 89 113 A S H <> S+ 0 0 0 -3,-1.5 4,-2.0 -4,-0.2 -1,-0.2 0.861 73.0 54.2 -60.6 -39.1 4.5 7.6 14.0 90 114 A V H > S+ 0 0 19 -4,-0.4 4,-0.6 -3,-0.3 -1,-0.2 0.949 115.1 38.7 -62.0 -46.8 1.9 5.0 15.2 91 115 A Q H >4 S+ 0 0 55 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.891 114.3 54.6 -67.4 -40.6 4.2 2.0 14.3 92 116 A L H 3< S+ 0 0 0 -4,-2.7 4,-0.3 1,-0.2 -1,-0.2 0.854 109.1 46.4 -66.4 -33.5 7.4 3.6 15.5 93 117 A I H 3X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.2 3,-0.4 0.608 85.9 96.7 -83.7 -11.2 6.1 4.4 19.0 94 118 A R H S+ 0 0 14 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.829 113.4 54.9 -70.5 -25.3 7.4 -0.5 21.5 96 120 A I H > S+ 0 0 0 -3,-0.4 4,-2.3 -4,-0.3 -2,-0.2 0.929 107.6 49.0 -66.8 -45.6 8.0 2.7 23.5 97 121 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.855 108.7 55.2 -61.8 -36.8 4.4 2.8 24.7 98 122 A A H X S+ 0 0 50 -4,-1.8 4,-2.1 -5,-0.3 -1,-0.2 0.932 108.5 46.3 -60.2 -45.0 4.7 -0.8 25.7 99 123 A Y H X S+ 0 0 8 -4,-1.7 4,-1.4 1,-0.2 -2,-0.2 0.895 112.7 51.2 -66.0 -38.3 7.7 -0.1 27.9 100 124 A R H < S+ 0 0 38 -4,-2.3 7,-0.3 1,-0.2 3,-0.3 0.922 108.1 51.4 -62.3 -48.5 6.0 2.9 29.4 101 125 A F H >< S+ 0 0 101 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.914 110.3 48.2 -59.2 -45.6 2.9 0.9 30.2 102 126 A K H 3< S+ 0 0 156 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.787 123.9 33.5 -65.1 -25.8 5.0 -1.8 32.0 103 127 A H T >X S+ 0 0 33 -4,-1.4 4,-2.3 -3,-0.3 3,-2.2 -0.225 71.7 145.2-125.3 44.7 6.8 0.9 34.0 104 128 A L T <4 + 0 0 92 -3,-1.0 -1,-0.1 1,-0.3 -3,-0.1 0.588 68.9 60.5 -68.4 -11.0 4.2 3.6 34.5 105 129 A D T 34 S+ 0 0 134 -3,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.590 123.8 16.4 -84.5 -14.5 5.5 4.5 37.9 106 130 A R T <4 S+ 0 0 41 -3,-2.2 -28,-3.0 -6,-0.2 2,-0.5 0.429 111.8 72.1-143.4 -13.5 9.0 5.5 36.6 107 131 A V E < +d 78 0A 4 -4,-2.3 2,-0.3 -7,-0.3 -28,-0.2 -0.973 54.0 162.8-114.7 129.0 8.8 6.0 32.8 108 132 A S E -d 79 0A 47 -30,-1.9 -28,-2.8 -2,-0.5 2,-0.7 -0.956 39.6-113.2-139.7 159.6 7.1 9.0 31.3 109 133 A I E -d 80 0A 16 -2,-0.3 -28,-0.2 -30,-0.2 3,-0.1 -0.869 22.8-174.2 -96.7 116.3 7.0 10.7 27.9 110 134 A Q E - 0 0 58 -30,-1.9 2,-0.3 -2,-0.7 -29,-0.2 0.884 62.8 -40.5 -74.3 -44.4 8.5 14.2 28.2 111 135 A Q E -d 81 0A 50 -31,-1.5 -29,-2.5 58,-0.1 2,-0.4 -0.968 45.3-126.3-175.9 164.4 7.6 15.1 24.6 112 136 A L E -de 82 171A 0 58,-2.2 60,-1.7 -2,-0.3 2,-0.4 -0.961 9.7-167.8-122.3 141.8 7.3 14.2 20.9 113 137 A N E -de 83 172A 14 -31,-2.4 -29,-2.7 -2,-0.4 2,-0.4 -0.999 15.1-168.6-121.9 127.5 8.7 15.9 17.9 114 138 A L E -de 84 173A 0 58,-2.7 60,-2.3 -2,-0.4 2,-0.4 -0.951 2.3-168.7-124.2 136.6 7.2 14.7 14.6 115 139 A Y E -de 85 174A 10 -31,-2.3 -29,-2.5 -2,-0.4 -28,-0.3 -0.969 28.2-102.8-128.5 141.1 8.5 15.5 11.1 116 140 A D - 0 0 0 58,-1.9 3,-0.1 -2,-0.4 59,-0.0 -0.310 15.1-151.3 -60.3 142.1 7.0 15.0 7.7 117 141 A D - 0 0 32 1,-0.2 -104,-0.5 -104,-0.1 2,-0.3 0.832 57.4 -92.9 -75.4 -42.0 8.4 12.1 5.6 118 142 A G S > S- 0 0 9 -105,-0.1 3,-0.8 -106,-0.1 4,-0.5 -0.952 80.0 -12.7 159.1-142.1 7.6 14.0 2.3 119 143 A S T >> S+ 0 0 9 -2,-0.3 4,-2.6 1,-0.2 3,-0.7 0.753 113.7 79.7 -63.1 -25.1 4.7 14.1 -0.1 120 144 A D H 3> S+ 0 0 79 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.853 86.9 55.2 -59.2 -41.0 3.0 11.0 1.4 121 145 A E H <> S+ 0 0 0 -3,-0.8 4,-1.9 1,-0.2 -1,-0.3 0.897 114.3 41.7 -57.1 -39.1 1.5 12.8 4.3 122 146 A Y H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.5 -2,-0.2 0.896 112.4 51.3 -76.4 -43.0 -0.2 15.3 1.9 123 147 A V H X S+ 0 0 22 -4,-2.6 4,-0.9 1,-0.2 -2,-0.2 0.909 113.0 49.1 -60.3 -41.5 -1.3 12.7 -0.6 124 148 A D H >< S+ 0 0 29 -4,-2.8 3,-0.6 -5,-0.3 4,-0.4 0.901 108.6 51.3 -65.8 -40.6 -2.8 10.8 2.3 125 149 A L H >< S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.2 -2,-0.2 0.902 101.7 61.9 -65.9 -34.7 -4.6 13.8 3.7 126 150 A E H >< S+ 0 0 42 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.837 95.0 62.0 -57.6 -33.5 -6.1 14.5 0.3 127 151 A K T << S+ 0 0 146 -4,-0.9 3,-0.3 -3,-0.6 -1,-0.3 0.678 97.9 58.8 -67.3 -16.4 -7.9 11.1 0.5 128 152 A E T X S+ 0 0 14 -3,-2.0 3,-2.0 -4,-0.4 -1,-0.3 0.297 71.2 114.4 -92.5 10.7 -9.8 12.4 3.5 129 153 A E T < S+ 0 0 83 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.740 76.5 43.3 -60.0 -29.4 -11.4 15.4 1.7 130 154 A N T 3 S+ 0 0 165 -3,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.210 95.7 101.5-102.8 17.2 -15.0 14.3 1.9 131 155 A K S < S- 0 0 91 -3,-2.0 2,-1.3 1,-0.0 3,-0.1 -0.575 84.1-106.4 -99.3 159.2 -14.9 13.2 5.5 132 156 A D > - 0 0 101 -2,-0.2 4,-2.4 1,-0.2 3,-0.2 -0.730 36.3-170.2 -83.1 96.4 -16.1 15.0 8.7 133 157 A I H > S+ 0 0 4 -2,-1.3 4,-2.6 53,-0.3 5,-0.2 0.872 80.3 56.2 -62.7 -37.9 -12.7 15.9 10.0 134 158 A S H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.935 112.3 43.2 -57.2 -46.7 -13.9 17.1 13.4 135 159 A A H > S+ 0 0 46 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.879 111.1 54.3 -68.0 -37.2 -15.5 13.7 14.0 136 160 A E H X S+ 0 0 45 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.908 108.4 50.6 -63.8 -40.0 -12.5 11.8 12.6 137 161 A I H X S+ 0 0 7 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.945 110.4 48.0 -61.7 -47.7 -10.2 13.7 15.1 138 162 A K H X S+ 0 0 110 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.909 113.3 47.7 -64.0 -38.9 -12.4 12.9 18.1 139 163 A Q H X S+ 0 0 77 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 110.7 51.6 -68.4 -40.8 -12.7 9.2 17.2 140 164 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.880 105.6 55.1 -64.1 -37.4 -8.9 9.0 16.7 141 165 A E H X S+ 0 0 56 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.929 108.7 49.1 -58.4 -44.2 -8.3 10.5 20.1 142 166 A K H X S+ 0 0 126 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.936 112.2 47.0 -63.2 -44.4 -10.4 7.8 21.6 143 167 A Q H X S+ 0 0 37 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.857 110.0 53.5 -68.0 -34.5 -8.6 5.1 19.8 144 168 A L H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.937 105.4 53.7 -62.8 -46.7 -5.2 6.5 20.7 145 169 A S H X S+ 0 0 68 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.920 111.0 47.2 -50.6 -45.2 -6.2 6.5 24.4 146 170 A H H X S+ 0 0 100 -4,-1.9 4,-2.2 1,-0.2 6,-0.4 0.875 109.7 53.9 -65.3 -39.6 -7.0 2.8 24.0 147 171 A Y H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.928 103.1 55.7 -60.4 -50.4 -3.7 2.2 22.2 148 172 A L H < S+ 0 0 26 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.831 117.1 37.3 -47.3 -40.0 -1.8 3.8 25.1 149 173 A L H < S+ 0 0 95 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.781 132.4 19.8 -85.0 -32.5 -3.4 1.2 27.4 150 174 A T H < S- 0 0 70 -4,-2.2 -3,-0.2 2,-0.2 -2,-0.2 0.669 84.8-127.7-117.3 -23.1 -3.5 -2.0 25.4 151 175 A G < + 0 0 22 -4,-2.5 2,-0.6 -5,-0.4 -4,-0.2 0.388 62.2 143.1 78.5 -1.5 -1.0 -1.7 22.5 152 176 A K - 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0 0 73 0, 0.0 -58,-2.2 0, 0.0 2,-0.3 -0.510 58.9-176.6 -64.4 136.9 3.3 17.3 24.6 171 195 A V E -e 112 0A 7 -60,-0.2 2,-0.4 -2,-0.2 -58,-0.2 -0.990 29.1-166.5-145.5 143.6 4.0 17.5 20.9 172 196 A K E -e 113 0A 94 -60,-1.7 -58,-2.7 -2,-0.3 2,-0.4 -0.995 15.5-157.5-127.1 125.1 5.6 19.7 18.2 173 197 A Y E -ef 114 198A 0 24,-2.9 26,-1.9 -2,-0.4 2,-0.5 -0.811 3.1-157.0 -99.7 144.9 4.9 19.0 14.5 174 198 A H E -ef 115 199A 17 -60,-2.3 -58,-1.9 -2,-0.4 2,-0.4 -0.963 19.3-165.2-123.9 108.5 7.2 20.1 11.7 175 199 A F E - f 0 200A 0 24,-2.6 26,-2.8 -2,-0.5 3,-0.3 -0.797 29.2-150.0-106.5 139.2 5.4 20.4 8.4 176 200 A L S S+ 0 0 16 -2,-0.4 2,-0.4 1,-0.3 3,-0.1 0.858 98.8 28.8 -61.4 -39.0 6.6 20.7 4.8 177 201 A S > + 0 0 11 1,-0.1 4,-0.9 2,-0.1 -1,-0.3 -0.847 53.2 166.6-131.8 98.2 3.5 22.7 4.0 178 202 A T H > S+ 0 0 19 -2,-0.4 4,-1.9 -3,-0.3 5,-0.2 0.824 83.5 67.0 -70.6 -30.4 1.8 24.8 6.6 179 203 A D H > S+ 0 0 62 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.874 94.1 58.0 -53.9 -39.6 -0.1 26.4 3.7 180 204 A Y H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.945 109.6 42.1 -58.3 -47.8 -1.8 23.0 3.1 181 205 A F H < S+ 0 0 1 -4,-0.9 10,-0.3 1,-0.2 -1,-0.2 0.827 119.6 44.8 -68.9 -30.7 -3.2 23.0 6.6 182 206 A E H < S+ 0 0 96 -4,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.739 122.3 33.4 -86.6 -23.0 -4.2 26.6 6.5 183 207 A K H < S+ 0 0 134 -4,-2.3 2,-0.9 -5,-0.2 -2,-0.2 0.625 88.1 93.1-114.2 -18.7 -5.7 26.7 3.0 184 208 A A >< - 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0 0 94 -2,-0.3 3,-1.8 -3,-0.1 4,-0.2 -0.665 34.5-110.6 -92.4 156.4 1.4 25.4 -12.8 376 400 A E G > S+ 0 0 83 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.769 115.0 69.2 -61.6 -22.3 0.1 22.7 -15.1 377 401 A S G 3 S+ 0 0 72 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.675 90.6 62.7 -72.0 -12.6 2.4 24.0 -17.9 378 402 A Q G < S+ 0 0 38 -3,-1.8 -33,-2.8 -34,-0.1 2,-0.6 0.484 85.9 85.5 -86.7 -5.7 5.4 22.8 -15.9 379 403 A V E < -l 345 0C 0 -3,-1.5 2,-0.4 -4,-0.2 -33,-0.2 -0.895 61.0-178.8-101.5 120.5 4.3 19.2 -16.1 380 404 A I E -l 346 0C 13 -35,-2.7 -33,-3.1 -2,-0.6 2,-0.5 -0.932 25.6-136.4-121.6 136.8 5.5 17.6 -19.4 381 405 A F E > -l 347 0C 6 -2,-0.4 3,-2.3 -35,-0.2 4,-0.3 -0.861 28.3-125.1 -91.4 134.6 4.9 14.1 -20.7 382 406 A W G > S+ 0 0 29 -35,-3.1 3,-1.5 -2,-0.5 -34,-0.1 0.743 103.1 61.4 -56.0 -35.2 8.2 12.7 -22.1 383 407 A D G 3 S+ 0 0 109 1,-0.3 -1,-0.3 -36,-0.2 -35,-0.1 0.566 89.5 71.9 -74.6 -4.5 7.0 11.8 -25.6 384 408 A S G < S+ 0 0 72 -3,-2.3 2,-0.6 2,-0.1 -1,-0.3 0.651 81.5 89.6 -77.1 -14.6 6.0 15.5 -26.3 385 409 A L S < S- 0 0 8 -3,-1.5 3,-0.1 -4,-0.3 -122,-0.0 -0.736 75.1-136.7 -94.6 121.5 9.7 16.3 -26.5 386 410 A K - 0 0 120 -2,-0.6 2,-0.5 1,-0.1 -113,-0.1 -0.224 29.2 -94.9 -70.2 161.7 11.4 16.0 -29.9 387 411 A Q 0 0 120 1,-0.1 -1,-0.1 -121,-0.0 -128,-0.0 -0.678 360.0 360.0 -79.8 120.4 14.8 14.4 -30.5 388 412 A L 0 0 75 -2,-0.5 -1,-0.1 -126,-0.1 -117,-0.1 0.569 360.0 360.0 -95.1 360.0 17.3 17.3 -30.5