==== 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 TRANSFERASE 27-SEP-06 2IIB . COMPND 2 MOLECULE: ALPHA-2,3/2,6-SIALYLTRANSFERASE/SIALIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PASTEURELLA MULTOCIDA; . AUTHOR L.NI,A.J.FISHER . 377 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 261 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 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 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 29.2 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 2 2 2 1 0 1 1 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 4 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 0 150 0, 0.0 2,-0.4 0, 0.0 77,-0.2 0.000 360.0 360.0 360.0 153.9 10.6 2.8 39.1 2 26 A K E -a 78 0A 98 75,-2.1 77,-2.7 72,-0.1 2,-0.4 -0.965 360.0-139.8-134.4 137.8 9.9 0.8 36.0 3 27 A T E -a 79 0A 24 -2,-0.4 2,-0.4 75,-0.2 77,-0.2 -0.837 15.9-165.7 -93.5 134.4 11.2 0.8 32.3 4 28 A I E -a 80 0A 0 75,-2.3 77,-2.7 -2,-0.4 2,-0.5 -0.993 10.3-147.0-118.2 126.5 8.6 0.2 29.5 5 29 A T E -ab 81 33A 6 27,-2.7 29,-2.5 -2,-0.4 2,-0.5 -0.827 10.9-164.2 -97.4 127.0 10.0 -0.6 26.1 6 30 A L E -ab 82 34A 0 75,-2.9 77,-3.1 -2,-0.5 2,-0.6 -0.958 5.9-163.9-115.4 128.1 8.0 0.7 23.1 7 31 A Y E +ab 83 35A 2 27,-3.0 29,-3.8 -2,-0.5 2,-0.5 -0.909 19.4 176.0-113.3 102.6 8.6 -0.7 19.6 8 32 A L E + b 0 36A 0 75,-2.3 77,-0.4 -2,-0.6 29,-0.2 -0.926 15.0 130.5-122.3 125.0 7.1 1.6 17.0 9 33 A D E - b 0 37A 0 27,-2.5 29,-1.6 -2,-0.5 30,-0.5 -0.702 30.0-170.1-171.0 119.7 7.1 1.4 13.2 10 34 A P S S+ 0 0 22 0, 0.0 27,-0.1 0, 0.0 -1,-0.0 0.557 81.3 55.8 -80.0 -11.2 4.5 1.6 10.5 11 35 A A S S- 0 0 3 27,-0.1 28,-0.5 1,-0.0 -2,-0.1 0.107 89.5-103.4-105.6-146.1 7.0 0.5 7.9 12 36 A S S > S+ 0 0 18 105,-0.3 4,-2.0 3,-0.1 5,-0.1 0.834 97.0 49.2-113.5 -58.2 9.4 -2.5 7.4 13 37 A L H > S+ 0 0 6 104,-0.7 4,-2.0 1,-0.2 5,-0.2 0.872 110.5 48.1 -64.5 -44.5 13.1 -1.9 8.1 14 38 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.949 112.2 51.3 -62.4 -42.8 12.8 -0.3 11.5 15 39 A A H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.876 107.7 53.1 -56.1 -40.4 10.4 -3.0 12.7 16 40 A L H X S+ 0 0 0 -4,-2.0 4,-1.1 1,-0.2 -1,-0.2 0.918 110.3 47.4 -63.3 -43.2 12.9 -5.7 11.5 17 41 A N H X S+ 0 0 21 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.869 110.9 52.0 -60.8 -40.3 15.7 -4.1 13.5 18 42 A Q H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.821 101.7 58.6 -70.9 -33.1 13.4 -3.9 16.6 19 43 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.828 105.5 51.8 -63.5 -32.5 12.5 -7.6 16.4 20 44 A M H X S+ 0 0 16 -4,-1.1 4,-2.7 2,-0.2 -2,-0.2 0.908 107.7 51.2 -66.7 -43.1 16.2 -8.3 16.8 21 45 A D H X S+ 0 0 29 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.933 109.9 49.8 -57.7 -48.5 16.3 -6.0 19.8 22 46 A F H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.890 111.6 49.3 -55.3 -44.3 13.3 -8.0 21.3 23 47 A T H >< S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.918 108.7 50.9 -63.5 -45.3 15.2 -11.2 20.6 24 48 A Q H 3< S+ 0 0 92 -4,-2.7 3,-0.3 1,-0.3 -1,-0.2 0.856 119.2 39.1 -59.9 -33.8 18.4 -10.0 22.2 25 49 A N T >< S+ 0 0 86 -4,-1.8 3,-0.5 -5,-0.2 -1,-0.3 -0.032 84.6 113.0-103.2 26.3 16.3 -9.0 25.3 26 50 A N T < + 0 0 19 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.553 55.3 75.0 -85.9 -8.8 14.0 -12.0 25.3 27 51 A E T 3 S+ 0 0 153 -3,-0.3 2,-0.9 -4,-0.2 -1,-0.2 0.871 78.7 82.2 -67.7 -36.7 15.0 -13.8 28.5 28 52 A D < + 0 0 77 -3,-0.5 3,-0.1 1,-0.2 -1,-0.1 -0.603 57.7 179.4 -73.3 104.0 13.2 -11.2 30.6 29 53 A K S S+ 0 0 70 -2,-0.9 22,-3.1 1,-0.2 -1,-0.2 0.565 75.0 47.8 -84.2 -10.9 9.5 -12.4 30.6 30 54 A T S S+ 0 0 82 20,-0.2 -1,-0.2 2,-0.1 -2,-0.1 0.571 74.4 119.0-110.1 -13.1 8.1 -9.6 32.8 31 55 A H S S- 0 0 40 -3,-0.1 2,-0.2 1,-0.1 -27,-0.1 -0.358 73.8-112.3 -55.4 123.8 9.6 -6.5 31.2 32 56 A P - 0 0 4 0, 0.0 -27,-2.7 0, 0.0 2,-0.4 -0.472 42.5-177.8 -65.4 127.4 6.7 -4.3 30.0 33 57 A R E -bc 5 53A 4 19,-2.6 21,-2.9 -2,-0.2 2,-0.5 -0.986 18.6-164.5-131.5 139.2 6.7 -4.1 26.2 34 58 A I E -bc 6 54A 0 -29,-2.5 -27,-3.0 -2,-0.4 2,-0.6 -0.963 11.5-158.2-125.5 109.4 4.4 -2.3 23.8 35 59 A F E +bc 7 55A 7 19,-3.0 21,-2.5 -2,-0.5 -27,-0.2 -0.808 21.4 166.6 -92.9 118.2 4.5 -3.4 20.1 36 60 A G E +b 8 0A 1 -29,-3.8 -27,-2.5 -2,-0.6 2,-0.8 -0.467 27.7 138.7-122.1 54.7 3.3 -0.9 17.5 37 61 A L E > -b 9 0A 15 -29,-0.2 3,-0.9 3,-0.2 -29,-0.1 -0.888 32.9-170.1-106.2 101.6 4.7 -2.7 14.5 38 62 A S T 3 S+ 0 0 67 -29,-1.6 -1,-0.2 -2,-0.8 -26,-0.1 0.857 83.7 47.7 -59.0 -39.6 2.1 -2.5 11.7 39 63 A R T 3 S+ 0 0 65 -28,-0.5 2,-0.4 -30,-0.5 -1,-0.2 0.557 105.0 72.0 -86.5 -4.8 3.7 -5.0 9.4 40 64 A F < - 0 0 20 -3,-0.9 2,-0.6 2,-0.0 -3,-0.2 -0.914 53.9-165.7-122.3 135.1 4.3 -7.7 12.0 41 65 A K - 0 0 159 -2,-0.4 3,-0.1 179,-0.2 -3,-0.1 -0.949 24.0-138.9-113.4 107.6 2.1 -10.1 14.0 42 66 A I - 0 0 7 -2,-0.6 5,-0.1 1,-0.1 178,-0.1 -0.530 33.9-108.5 -64.7 121.7 3.9 -11.6 17.0 43 67 A P >> - 0 0 27 0, 0.0 4,-2.0 0, 0.0 3,-1.9 -0.219 18.8-124.1 -57.7 143.2 2.9 -15.3 17.0 44 68 A D H 3> S+ 0 0 112 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.810 109.4 63.3 -59.1 -34.1 0.6 -16.3 19.8 45 69 A N H 34 S+ 0 0 104 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.606 109.3 42.1 -68.5 -13.5 3.0 -19.0 21.0 46 70 A I H X4 S+ 0 0 2 -3,-1.9 3,-1.6 2,-0.1 4,-0.4 0.820 110.0 54.0 -93.5 -46.9 5.5 -16.2 21.7 47 71 A I H >< S+ 0 0 42 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.895 102.3 62.0 -50.1 -44.3 3.0 -13.7 23.3 48 72 A T T 3< S+ 0 0 124 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.1 0.704 97.0 57.6 -56.0 -25.3 2.0 -16.5 25.7 49 73 A Q T < S+ 0 0 91 -3,-1.6 2,-0.4 -5,-0.1 -1,-0.3 0.549 101.8 70.8 -84.4 -8.6 5.5 -16.7 27.2 50 74 A Y < - 0 0 13 -3,-2.0 3,-0.3 -4,-0.4 2,-0.3 -0.877 60.8-157.2-118.5 140.5 5.5 -13.0 28.2 51 75 A Q S S+ 0 0 138 -22,-3.1 3,-0.1 -2,-0.4 -18,-0.1 -0.773 81.1 27.5-104.1 160.0 3.7 -10.9 30.7 52 76 A N S S+ 0 0 63 -2,-0.3 -19,-2.6 1,-0.2 2,-0.5 0.865 83.4 148.5 57.5 37.1 3.1 -7.2 30.4 53 77 A I E -c 33 0A 24 -3,-0.3 2,-0.3 -21,-0.2 -1,-0.2 -0.921 22.9-178.6-104.6 125.4 3.2 -7.6 26.7 54 78 A H E -c 34 0A 24 -21,-2.9 -19,-3.0 -2,-0.5 2,-0.4 -0.850 18.7-150.2-129.4 157.8 1.0 -5.0 24.9 55 79 A F E -c 35 0A 91 -2,-0.3 2,-0.4 -21,-0.2 -19,-0.2 -0.998 11.3-173.8-135.2 130.6 -0.1 -4.2 21.3 56 80 A V - 0 0 7 -21,-2.5 2,-0.2 -2,-0.4 9,-0.0 -0.984 20.8-129.0-127.8 133.3 -1.0 -0.8 19.9 57 81 A E - 0 0 148 -2,-0.4 7,-1.9 -21,-0.1 2,-0.4 -0.478 19.7-137.9 -70.8 148.4 -2.4 0.1 16.5 58 82 A L B +G 63 0B 23 5,-0.2 2,-0.3 -2,-0.2 34,-0.0 -0.895 22.4 178.4-104.3 142.6 -0.7 2.9 14.5 59 83 A K S S- 0 0 140 3,-3.1 3,-0.4 -2,-0.4 -2,-0.0 -0.960 71.0 -1.9-146.0 128.3 -2.9 5.4 12.6 60 84 A D S S- 0 0 111 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 0.873 132.6 -56.5 57.1 39.7 -1.5 8.3 10.6 61 85 A N S S+ 0 0 56 1,-0.2 -1,-0.2 31,-0.0 -3,-0.0 0.766 121.5 90.3 65.9 32.7 2.0 7.3 11.7 62 86 A R S S- 0 0 60 -3,-0.4 -3,-3.1 31,-0.1 -1,-0.2 -0.991 83.9 -97.6-154.7 142.3 1.3 7.5 15.4 63 87 A P B -G 58 0B 3 0, 0.0 -5,-0.2 0, 0.0 -27,-0.0 -0.380 48.0-119.4 -55.8 139.1 0.0 5.1 18.2 64 88 A T > - 0 0 24 -7,-1.9 3,-2.3 1,-0.1 4,-0.2 -0.233 34.2 -87.3 -74.2 174.5 -3.7 5.6 18.8 65 89 A E T >> S+ 0 0 137 1,-0.3 3,-1.2 2,-0.2 4,-0.8 0.571 117.4 83.2 -58.5 -15.4 -5.2 6.7 22.1 66 90 A A H 3> S+ 0 0 47 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.657 76.7 72.1 -64.1 -17.0 -5.3 3.0 23.1 67 91 A L H <> S+ 0 0 0 -3,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.852 91.6 56.1 -59.9 -38.5 -1.7 3.7 24.1 68 92 A F H <> S+ 0 0 60 -3,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.865 103.0 53.2 -67.7 -39.0 -3.0 5.7 27.0 69 93 A T H X S+ 0 0 92 -4,-0.8 4,-0.5 2,-0.2 -1,-0.2 0.886 111.1 47.2 -60.5 -43.8 -5.1 2.8 28.3 70 94 A I H >< S+ 0 0 15 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.960 113.2 47.0 -61.2 -52.4 -2.0 0.6 28.3 71 95 A L H >< S+ 0 0 0 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.821 101.1 66.5 -63.9 -31.9 0.2 3.1 30.0 72 96 A D H 3< S+ 0 0 87 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.717 87.4 70.2 -58.4 -23.5 -2.5 3.8 32.7 73 97 A Q T << S+ 0 0 116 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.595 91.3 63.5 -71.0 -12.2 -1.9 0.2 33.9 74 98 A Y < + 0 0 18 -3,-1.9 -1,-0.2 -4,-0.2 -72,-0.1 -0.784 63.5 172.1-115.5 85.2 1.5 1.3 35.3 75 99 A P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 0.408 53.6 75.0 -81.3 0.2 0.7 3.9 38.0 76 100 A G S S- 0 0 41 1,-0.2 2,-0.3 30,-0.0 -2,-0.1 -0.266 103.7 -53.4 -95.6-171.9 4.2 4.4 39.3 77 101 A N - 0 0 95 -2,-0.1 -75,-2.1 30,-0.1 2,-0.4 -0.496 62.3-169.6 -63.8 124.6 7.2 6.2 37.9 78 102 A I E -ad 2 107A 3 28,-3.1 30,-2.4 -2,-0.3 2,-0.5 -0.971 16.7-157.2-126.1 137.6 7.9 5.0 34.4 79 103 A E E -ad 3 108A 59 -77,-2.7 -75,-2.3 -2,-0.4 2,-0.6 -0.958 20.7-136.4-111.4 127.9 10.8 5.5 32.1 80 104 A L E -ad 4 109A 0 28,-2.3 31,-1.6 -2,-0.5 30,-1.6 -0.771 14.1-167.9 -97.5 117.2 10.1 5.1 28.4 81 105 A N E -ad 5 111A 23 -77,-2.7 -75,-2.9 -2,-0.6 2,-0.5 -0.896 24.3-168.3 -97.4 101.2 12.6 3.2 26.2 82 106 A I E -ad 6 112A 0 29,-2.2 31,-2.6 -2,-0.8 2,-0.5 -0.843 18.3-162.6-108.8 125.9 11.3 4.1 22.8 83 107 A H E -ad 7 113A 0 -77,-3.1 -75,-2.3 -2,-0.5 2,-0.3 -0.923 25.9-175.9-106.5 127.9 12.3 2.5 19.5 84 108 A L E - d 0 114A 0 29,-2.9 31,-2.7 -2,-0.5 2,-0.5 -0.924 37.3-118.3-134.6 147.1 11.4 4.6 16.4 85 109 A N E - d 0 115A 0 -77,-0.4 31,-0.2 -2,-0.3 4,-0.2 -0.719 34.0-141.8 -71.7 125.8 11.3 4.9 12.7 86 110 A I S > S+ 0 0 0 29,-2.5 3,-1.3 -2,-0.5 4,-0.3 0.931 96.1 49.2 -61.6 -51.6 13.5 8.0 11.9 87 111 A A T 3 S+ 0 0 14 1,-0.3 3,-0.2 28,-0.2 -1,-0.2 0.850 122.8 34.5 -56.8 -37.9 11.5 9.5 9.1 88 112 A H T 3> S+ 0 0 45 1,-0.2 4,-2.5 2,-0.1 3,-0.3 0.237 84.3 114.8-101.4 12.5 8.3 9.3 11.2 89 113 A S H <> S+ 0 0 0 -3,-1.3 4,-2.0 1,-0.2 5,-0.2 0.832 72.3 54.6 -53.2 -40.8 9.9 9.9 14.6 90 114 A V H > S+ 0 0 18 -4,-0.3 4,-0.6 -3,-0.2 -1,-0.2 0.917 115.5 36.8 -64.2 -46.4 8.1 13.2 15.2 91 115 A Q H 4 S+ 0 0 50 -3,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.872 113.6 57.1 -72.4 -38.6 4.6 11.8 14.7 92 116 A L H < S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.3 -2,-0.2 0.875 111.7 41.6 -64.6 -39.0 5.3 8.5 16.4 93 117 A I H >X S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.2 3,-0.6 0.655 92.1 94.0 -78.7 -16.0 6.4 10.1 19.6 94 118 A R H 3X S+ 0 0 96 -4,-0.6 4,-2.0 -3,-0.3 -1,-0.2 0.866 87.9 39.8 -46.8 -55.7 3.5 12.7 19.5 95 119 A P H 3> S+ 0 0 10 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.773 112.5 57.2 -70.0 -25.2 1.0 10.7 21.7 96 120 A I H <> S+ 0 0 0 -3,-0.6 4,-2.3 -4,-0.3 -2,-0.2 0.915 109.7 45.8 -65.4 -43.6 3.8 9.6 24.1 97 121 A L H X S+ 0 0 3 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.862 110.6 53.2 -68.0 -36.7 4.6 13.3 24.6 98 122 A A H X S+ 0 0 49 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.915 110.1 47.6 -62.8 -44.7 0.9 14.1 25.0 99 123 A Y H X S+ 0 0 8 -4,-2.3 4,-0.9 1,-0.2 3,-0.4 0.921 109.3 54.2 -60.3 -44.8 0.6 11.4 27.7 100 124 A R H >< S+ 0 0 47 -4,-2.3 3,-0.7 1,-0.2 7,-0.2 0.884 102.7 57.1 -58.8 -41.7 3.7 12.8 29.4 101 125 A F H >< S+ 0 0 76 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.860 110.1 44.9 -53.0 -40.3 2.1 16.3 29.5 102 126 A K H 3< S+ 0 0 75 -4,-1.3 -1,-0.2 -3,-0.4 -2,-0.2 0.629 122.2 37.2 -81.5 -13.5 -0.8 14.9 31.5 103 127 A H T XX + 0 0 61 -4,-0.9 4,-2.2 -3,-0.7 3,-1.6 -0.314 69.1 151.9-135.6 49.4 1.4 12.8 33.8 104 128 A L T <4 + 0 0 123 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.776 69.4 55.6 -52.5 -36.9 4.4 15.1 34.3 105 129 A D T 34 S+ 0 0 99 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 0.649 121.2 22.0 -75.6 -18.4 5.3 13.7 37.8 106 130 A R T <4 S+ 0 0 39 -3,-1.6 -28,-3.1 -6,-0.2 2,-0.5 0.589 103.3 79.2-128.2 -17.2 5.6 10.1 36.8 107 131 A V E < +d 78 0A 6 -4,-2.2 2,-0.3 -7,-0.2 -28,-0.2 -0.869 49.4 162.3-106.2 122.6 6.4 9.7 33.1 108 132 A S E -d 79 0A 48 -30,-2.4 -28,-2.3 -2,-0.5 2,-0.7 -0.894 39.2-117.4-129.0 164.5 9.9 10.3 31.7 109 133 A I E -d 80 0A 15 -2,-0.3 -28,-0.1 -30,-0.2 3,-0.1 -0.917 24.4-175.1-102.3 114.7 11.7 9.5 28.4 110 134 A Q E - 0 0 42 -30,-1.6 2,-0.3 -2,-0.7 -29,-0.2 0.916 59.7 -39.5 -74.9 -46.5 14.6 7.2 29.2 111 135 A Q E -d 81 0A 64 -31,-1.6 -29,-2.2 58,-0.1 2,-0.4 -0.969 47.6-122.9-172.6 161.2 16.1 7.1 25.7 112 136 A L E -de 82 171A 0 58,-2.4 60,-1.6 -2,-0.3 2,-0.5 -0.966 11.4-167.9-116.7 137.0 15.4 6.8 22.0 113 137 A N E -de 83 172A 19 -31,-2.6 -29,-2.9 -2,-0.4 2,-0.4 -0.998 18.3-166.3-116.4 124.4 16.7 4.2 19.5 114 138 A L E -de 84 173A 0 58,-2.9 60,-3.3 -2,-0.5 2,-0.4 -0.926 9.1-175.0-121.2 136.0 16.1 5.3 16.0 115 139 A Y E -de 85 174A 7 -31,-2.7 -29,-2.5 -2,-0.4 -28,-0.2 -0.964 31.9-100.6-129.2 141.9 16.3 3.2 12.8 116 140 A D - 0 0 0 58,-1.4 3,-0.1 -2,-0.4 -31,-0.0 -0.361 10.1-142.4 -60.6 133.7 15.9 4.2 9.1 117 141 A N - 0 0 34 1,-0.2 -104,-0.7 -104,-0.2 2,-0.3 0.869 63.9-110.9 -48.9 -42.6 12.7 3.6 7.3 118 142 A G S > S+ 0 0 0 -105,-0.1 4,-0.6 -106,-0.1 3,-0.5 -0.961 77.4 0.8 151.8-124.8 15.3 2.9 4.6 119 143 A S H > S+ 0 0 18 -2,-0.3 4,-2.7 1,-0.2 3,-0.2 0.743 115.2 79.6 -63.6 -29.0 16.2 4.7 1.4 120 144 A M H > S+ 0 0 48 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.874 90.6 49.2 -47.6 -51.4 13.5 7.4 2.3 121 145 A E H > S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.898 113.5 47.3 -58.2 -41.1 15.8 9.2 4.8 122 146 A Y H X S+ 0 0 0 -4,-0.6 4,-2.2 -3,-0.2 -2,-0.2 0.899 111.3 49.3 -72.7 -40.3 18.7 9.3 2.3 123 147 A V H X S+ 0 0 22 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.911 113.5 48.7 -58.7 -46.1 16.5 10.5 -0.6 124 148 A D H >< S+ 0 0 24 -4,-2.5 3,-0.5 -5,-0.2 4,-0.2 0.904 110.8 48.8 -61.2 -45.6 15.1 13.2 1.8 125 149 A L H >< S+ 0 0 0 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.872 104.0 61.4 -64.6 -36.4 18.6 14.2 3.0 126 150 A E H >< S+ 0 0 11 -4,-2.2 3,-1.5 1,-0.3 -1,-0.2 0.822 96.2 60.2 -56.5 -33.9 19.7 14.4 -0.7 127 151 A K T << S+ 0 0 125 -4,-1.0 3,-0.3 -3,-0.5 -1,-0.3 0.555 97.2 61.1 -73.8 -8.6 17.1 17.2 -1.3 128 152 A E T X + 0 0 17 -3,-1.8 3,-2.1 -4,-0.2 -1,-0.3 0.269 68.9 116.0 -98.4 8.8 18.9 19.3 1.4 129 153 A E T < S+ 0 0 85 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.748 74.4 47.7 -51.7 -34.1 22.1 19.4 -0.6 130 154 A N T 3 S+ 0 0 156 -3,-0.3 -1,-0.3 2,-0.1 2,-0.2 0.315 93.7 100.5 -95.3 10.2 22.1 23.2 -1.2 131 155 A K S < S- 0 0 92 -3,-2.1 2,-1.2 1,-0.0 3,-0.1 -0.623 82.6-110.7 -99.0 151.3 21.3 24.2 2.4 132 156 A D > - 0 0 104 -2,-0.2 4,-1.9 1,-0.2 5,-0.1 -0.727 37.7-170.9 -73.9 97.3 23.5 25.5 5.2 133 157 A I H > S+ 0 0 2 -2,-1.2 4,-2.6 53,-0.4 -1,-0.2 0.877 78.0 58.3 -65.7 -42.4 23.2 22.3 7.3 134 158 A S H > S+ 0 0 48 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.919 112.2 42.0 -51.9 -48.2 24.9 23.7 10.4 135 159 A A H > S+ 0 0 42 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.836 110.1 56.8 -69.4 -36.1 22.3 26.5 10.5 136 160 A E H X S+ 0 0 45 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.895 105.4 53.5 -60.4 -40.4 19.5 24.1 9.7 137 161 A I H X S+ 0 0 8 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 107.6 48.5 -58.8 -50.1 20.5 22.0 12.7 138 162 A K H X S+ 0 0 124 -4,-1.5 4,-1.9 1,-0.2 -2,-0.2 0.907 113.4 47.1 -61.8 -43.6 20.3 25.0 15.2 139 163 A Q H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.849 110.8 52.8 -63.1 -36.3 16.9 26.0 13.9 140 164 A A H X S+ 0 0 2 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.898 108.0 50.4 -69.2 -38.6 15.7 22.4 14.1 141 165 A E H X S+ 0 0 58 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.908 110.9 49.4 -63.0 -46.6 16.8 22.2 17.8 142 166 A K H X S+ 0 0 120 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.902 113.7 45.5 -55.4 -48.2 15.0 25.4 18.6 143 167 A Q H X S+ 0 0 16 -4,-2.2 4,-1.8 2,-0.2 11,-0.3 0.786 108.7 55.8 -72.7 -27.3 11.8 24.2 16.9 144 168 A L H X S+ 0 0 1 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.907 105.9 53.4 -64.8 -43.3 12.2 20.8 18.6 145 169 A S H X S+ 0 0 54 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.913 106.2 51.1 -55.8 -46.4 12.2 22.7 21.9 146 170 A H H X S+ 0 0 93 -4,-1.8 4,-2.7 2,-0.2 6,-0.5 0.913 111.2 50.2 -56.8 -42.8 9.0 24.4 21.0 147 171 A Y H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.945 112.0 45.6 -58.2 -51.9 7.5 21.0 20.3 148 172 A L H < S+ 0 0 26 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.841 120.3 40.5 -63.9 -32.9 8.6 19.5 23.6 149 173 A L H < S+ 0 0 126 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.815 129.7 23.4 -86.4 -32.3 7.4 22.6 25.5 150 174 A T H < S- 0 0 60 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.580 91.3-125.3-111.2 -14.5 4.1 23.3 23.7 151 175 A G S < S+ 0 0 28 -4,-2.3 2,-0.4 -5,-0.4 -4,-0.2 0.383 71.9 125.4 79.0 -2.0 3.1 19.9 22.2 152 176 A K - 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