==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-OCT-08 3ESQ . COMPND 2 MOLECULE: D,D-HEPTOSE 1,7-BISPHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.N.SUGIMAN-MARANGOS,M.S.JUNOP . 182 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8877.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0.5 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 . 11 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.7 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 0 1 2 0 0 0 3 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 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 . 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 1 0 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 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 24 A S 0 0 94 0, 0.0 122,-0.2 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0-176.0 3.0 23.1 3.2 2 25 A V B -a 123 0A 60 120,-1.7 122,-2.8 119,-0.1 2,-0.2 -0.999 360.0-124.7-134.1 139.4 6.4 21.3 3.6 3 26 A P - 0 0 43 0, 0.0 42,-2.4 0, 0.0 2,-0.3 -0.613 34.9-161.6 -75.8 148.2 7.4 17.6 3.1 4 27 A A E -b 45 0B 0 120,-0.5 125,-1.9 40,-0.2 2,-0.6 -0.900 24.4-140.0-126.7 154.0 9.2 16.1 6.1 5 28 A I E -bc 46 129B 0 40,-3.1 42,-2.3 -2,-0.3 2,-0.4 -0.969 25.6-152.0-104.4 113.4 11.4 13.2 7.1 6 29 A F E -bc 47 130B 0 123,-3.6 125,-2.2 -2,-0.6 2,-0.5 -0.720 16.8-155.7 -81.5 134.6 10.2 11.9 10.4 7 30 A L E -bc 48 131B 0 40,-3.3 42,-2.9 -2,-0.4 125,-0.2 -0.961 16.9-151.5-125.3 120.6 13.1 10.3 12.3 8 31 A D - 0 0 8 123,-2.7 42,-0.2 -2,-0.5 3,-0.1 -0.407 18.3-153.0 -60.3 158.8 13.3 7.7 15.1 9 32 A R >>> + 0 0 2 40,-0.2 4,-3.8 1,-0.2 3,-2.7 0.791 67.5 59.6-103.7 -81.6 16.3 8.2 17.2 10 33 A D B 345S+g 14 0C 18 1,-0.3 123,-0.3 2,-0.2 -1,-0.2 -0.331 122.2 10.7 -59.5 122.9 17.7 5.1 18.9 11 34 A G T 345S+ 0 0 0 3,-3.3 -1,-0.3 143,-0.1 143,-0.2 0.337 135.0 50.7 90.9 -5.8 18.7 2.6 16.3 12 35 A T T <45S+ 0 0 0 -3,-2.7 161,-0.4 2,-0.4 -2,-0.2 0.643 125.7 12.1-129.3 -50.4 18.3 5.2 13.6 13 36 A I T <5S+ 0 0 0 -4,-3.8 16,-2.6 1,-0.3 2,-0.3 0.819 134.5 26.0 -98.0 -48.7 20.2 8.3 14.5 14 37 A N B - 0 0 89 1,-0.1 3,-1.7 -3,-0.1 4,-0.4 -0.882 69.6-137.2-110.3 133.8 24.3 10.2 28.6 23 46 A I G > S+ 0 0 71 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.912 107.7 57.5 -47.1 -46.0 26.4 12.2 26.1 24 47 A D G 3 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.662 109.2 45.1 -68.7 -11.1 29.2 9.8 26.5 25 48 A N G < S+ 0 0 86 -3,-1.7 2,-0.7 2,-0.0 -1,-0.3 0.349 88.0 102.1-106.9 3.4 26.9 6.9 25.4 26 49 A F < + 0 0 16 -3,-1.7 2,-0.5 -4,-0.4 -10,-0.1 -0.828 48.4 177.8 -94.5 111.5 25.4 8.8 22.4 27 50 A E - 0 0 101 -2,-0.7 -12,-2.4 -12,-0.3 2,-0.1 -0.949 25.0-135.5-121.7 109.0 27.0 7.5 19.2 28 51 A F B -H 14 0C 40 -2,-0.5 -14,-0.3 -14,-0.2 3,-0.1 -0.438 30.0-113.8 -63.2 132.6 25.9 8.9 15.9 29 52 A I > - 0 0 18 -16,-2.6 3,-1.6 1,-0.1 4,-0.5 -0.418 47.2 -84.3 -64.8 140.7 25.5 6.1 13.3 30 53 A D T 3 S+ 0 0 138 1,-0.2 144,-0.3 2,-0.1 -1,-0.1 -0.181 108.3 2.6 -48.7 131.7 28.0 6.3 10.4 31 54 A G T 3> S+ 0 0 39 1,-0.1 4,-1.9 -3,-0.1 -1,-0.2 0.322 95.8 109.5 80.9 -9.5 26.9 8.7 7.6 32 55 A V H <> S+ 0 0 0 -3,-1.6 4,-2.7 2,-0.2 5,-0.2 0.847 75.0 53.2 -78.4 -35.2 23.6 9.9 9.2 33 56 A I H > S+ 0 0 18 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.966 113.5 44.3 -57.4 -49.3 24.7 13.5 9.9 34 57 A D H > S+ 0 0 83 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.847 113.4 51.4 -59.8 -44.0 25.9 13.9 6.3 35 58 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.942 108.9 50.4 -62.3 -47.1 22.6 12.2 5.1 36 59 A M H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.889 108.8 52.9 -56.9 -41.3 20.5 14.6 7.2 37 60 A R H X S+ 0 0 77 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.941 110.8 46.6 -54.6 -50.4 22.4 17.5 5.7 38 61 A E H X S+ 0 0 59 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.880 108.9 54.4 -61.3 -42.0 21.6 16.3 2.2 39 62 A L H <>S+ 0 0 0 -4,-2.5 5,-2.1 2,-0.2 -1,-0.2 0.875 109.2 48.6 -61.3 -41.9 17.9 15.7 3.2 40 63 A K H ><5S+ 0 0 56 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.932 110.3 51.4 -60.1 -47.1 17.8 19.4 4.3 41 64 A K H 3<5S+ 0 0 171 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.820 104.2 57.8 -58.0 -35.3 19.4 20.4 1.0 42 65 A M T 3<5S- 0 0 53 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.352 126.2-101.8 -78.8 1.7 16.7 18.4 -0.8 43 66 A G T < 5S+ 0 0 49 -3,-1.9 2,-0.3 1,-0.3 -3,-0.2 0.587 73.8 139.6 96.6 11.0 14.0 20.5 0.9 44 67 A F < - 0 0 23 -5,-2.1 -1,-0.3 -42,-0.1 2,-0.3 -0.637 49.4-132.0 -86.8 143.0 12.8 18.2 3.6 45 68 A A E -b 4 0B 8 -42,-2.4 -40,-3.1 -2,-0.3 2,-0.5 -0.669 24.5-138.0 -76.1 150.6 11.9 19.3 7.1 46 69 A L E +b 5 0B 0 36,-0.3 38,-2.8 -2,-0.3 39,-1.1 -0.973 24.2 177.4-119.4 123.1 13.5 17.0 9.7 47 70 A V E -bd 6 85B 0 -42,-2.3 -40,-3.3 -2,-0.5 2,-0.3 -0.977 19.6-146.1-133.1 119.4 11.5 16.0 12.7 48 71 A V E -bd 7 86B 1 37,-2.2 39,-2.5 -2,-0.4 2,-0.3 -0.688 15.7-178.4 -81.3 134.4 12.6 13.6 15.5 49 72 A V E + d 0 87B 0 -42,-2.9 2,-0.5 -2,-0.3 -40,-0.2 -0.914 15.9 168.6-135.2 101.1 9.9 11.4 17.0 50 73 A T E - d 0 88B 1 37,-2.1 39,-2.1 -2,-0.3 2,-0.4 -0.958 34.0-137.9-129.1 126.7 11.2 9.3 19.7 51 74 A N E - d 0 89B 18 -2,-0.5 -41,-0.2 37,-0.2 2,-0.1 -0.717 21.6-179.0 -74.8 131.7 9.7 7.1 22.5 52 75 A Q >> + 0 0 7 37,-3.4 3,-1.8 -2,-0.4 4,-0.5 -0.537 17.6 156.1-133.1 62.9 11.6 7.6 25.7 53 76 A S H 3> + 0 0 27 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.649 60.7 84.5 -71.5 -10.8 9.9 5.3 28.2 54 77 A G H 3>>S+ 0 0 1 1,-0.2 5,-2.0 2,-0.2 4,-1.2 0.826 86.0 59.1 -58.0 -30.3 13.1 5.3 30.3 55 78 A I H X45S+ 0 0 2 -3,-1.8 3,-0.8 2,-0.2 -1,-0.2 0.978 108.3 41.1 -62.3 -55.2 11.7 8.5 31.7 56 79 A A H 3<5S+ 0 0 0 34,-1.1 41,-2.0 -4,-0.5 40,-1.5 0.857 114.9 54.3 -60.3 -31.3 8.5 6.7 33.0 57 80 A R H 3<5S- 0 0 122 -4,-2.6 -1,-0.2 38,-0.2 -2,-0.2 0.729 110.3-122.8 -75.3 -20.5 10.7 3.7 34.1 58 81 A G T <<5S+ 0 0 46 -4,-1.2 -3,-0.2 -3,-0.8 3,-0.1 0.641 75.2 128.1 82.2 18.1 13.0 6.0 36.2 59 82 A K S - 0 0 74 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.448 25.4-116.8 -95.6 164.4 15.0 12.0 34.2 62 85 A E H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.852 120.1 58.5 -61.3 -37.0 13.3 14.4 31.8 63 86 A A H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.920 107.2 45.6 -57.4 -46.0 16.0 16.8 32.9 64 87 A Q H > S+ 0 0 63 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.876 111.6 52.5 -66.8 -36.3 18.6 14.3 31.7 65 88 A F H X S+ 0 0 5 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.894 109.4 48.4 -64.3 -42.6 16.7 13.8 28.5 66 89 A E H X S+ 0 0 103 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.907 109.1 53.6 -64.8 -43.7 16.6 17.5 27.8 67 90 A T H X S+ 0 0 82 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.943 113.1 43.8 -54.4 -51.1 20.3 17.9 28.5 68 91 A L H X S+ 0 0 2 -4,-2.3 4,-2.7 -47,-0.2 -2,-0.2 0.903 114.1 49.5 -60.5 -40.3 21.0 15.1 25.9 69 92 A T H X S+ 0 0 17 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.913 109.6 50.9 -71.7 -44.0 18.5 16.5 23.4 70 93 A E H X S+ 0 0 123 -4,-2.9 4,-3.0 2,-0.2 -1,-0.2 0.925 112.7 47.9 -47.8 -52.8 20.0 20.1 23.6 71 94 A W H X S+ 0 0 76 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.897 113.7 46.2 -57.6 -49.6 23.5 18.6 23.1 72 95 A M H X S+ 0 0 2 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.908 111.9 51.8 -61.2 -45.3 22.2 16.5 20.1 73 96 A D H X S+ 0 0 57 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.952 114.2 42.3 -59.0 -48.0 20.4 19.6 18.7 74 97 A W H X S+ 0 0 169 -4,-3.0 4,-2.9 2,-0.2 -2,-0.2 0.893 111.2 56.2 -61.2 -47.1 23.6 21.8 18.9 75 98 A S H < S+ 0 0 28 -4,-2.6 4,-0.4 1,-0.2 -1,-0.2 0.897 113.5 40.8 -54.5 -45.3 25.9 18.9 17.6 76 99 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 3,-1.3 0.924 113.7 51.3 -69.3 -47.0 23.7 18.7 14.5 77 100 A A H ><5S+ 0 0 34 -4,-2.5 3,-1.8 1,-0.3 -2,-0.2 0.887 105.8 57.1 -56.9 -36.2 23.2 22.5 14.1 78 101 A D T 3<5S+ 0 0 137 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.701 106.7 50.2 -69.6 -18.7 27.0 22.8 14.3 79 102 A R T < 5S- 0 0 99 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.042 127.7 -99.5-107.2 22.3 27.2 20.4 11.3 80 103 A D T < 5S+ 0 0 133 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.760 86.8 125.8 66.9 30.8 24.7 22.4 9.3 81 104 A V < - 0 0 0 -5,-2.4 2,-0.8 -8,-0.1 -2,-0.2 -0.928 39.5-170.7-120.7 101.6 21.8 20.2 10.1 82 105 A D - 0 0 102 -2,-0.6 -36,-0.3 -46,-0.1 2,-0.1 -0.841 14.9-143.4 -99.9 99.9 19.0 22.3 11.6 83 106 A L - 0 0 14 -2,-0.8 -36,-0.2 -10,-0.2 3,-0.1 -0.377 2.5-152.3 -61.7 135.6 16.2 20.1 13.0 84 107 A D S S- 0 0 53 -38,-2.8 2,-0.3 1,-0.3 -37,-0.2 0.739 73.1 -6.9 -85.5 -24.2 12.7 21.4 12.5 85 108 A G E -d 47 0B 13 -39,-1.1 -37,-2.2 2,-0.0 2,-0.4 -0.959 51.2-154.1-167.5 150.0 11.1 19.7 15.6 86 109 A I E -d 48 0B 49 -2,-0.3 2,-0.4 -39,-0.2 -37,-0.2 -0.967 20.8-179.9-134.4 117.6 12.0 17.2 18.3 87 110 A Y E +d 49 0B 47 -39,-2.5 -37,-2.1 -2,-0.4 2,-0.3 -0.919 3.1 178.2-119.9 139.8 9.0 15.3 19.8 88 111 A Y E -d 50 0B 64 -2,-0.4 -37,-0.2 -39,-0.2 19,-0.1 -0.987 25.4-141.9-144.2 151.6 9.3 12.7 22.4 89 112 A C E +d 51 0B 0 -39,-2.1 -37,-3.4 -2,-0.3 -34,-0.2 -0.968 14.6 179.1-113.2 111.5 7.1 10.5 24.5 90 113 A P + 0 0 10 0, 0.0 -34,-1.1 0, 0.0 -1,-0.1 0.462 50.6 112.5 -83.3 -2.0 8.2 10.1 28.2 91 114 A H + 0 0 30 -36,-0.1 10,-0.2 -35,-0.1 -39,-0.1 -0.316 35.0 166.4 -84.4 153.2 5.2 7.9 29.0 92 115 A H B > -i 101 0D 43 8,-1.5 3,-2.1 10,-0.1 10,-1.5 -0.898 36.0-132.8-153.4 137.1 4.6 4.3 29.8 93 116 A P T 3 S+ 0 0 55 0, 0.0 10,-0.2 0, 0.0 8,-0.1 0.786 111.3 42.0 -57.2 -28.5 1.4 2.7 31.2 94 117 A Q T 3 S+ 0 0 145 8,-0.2 7,-0.1 7,-0.0 9,-0.0 0.081 85.7 156.2-103.5 23.9 3.4 0.9 33.9 95 118 A G < - 0 0 3 -3,-2.1 -38,-0.2 5,-0.2 6,-0.1 -0.153 40.4-151.7 -58.4 140.2 5.7 3.8 34.8 96 119 A S S S+ 0 0 81 -40,-1.5 2,-0.8 1,-0.1 -39,-0.2 0.669 85.8 76.7 -79.3 -23.3 7.3 3.8 38.2 97 120 A V S >> S- 0 0 52 -41,-2.0 3,-2.0 1,-0.2 4,-0.9 -0.848 76.5-152.6 -95.9 110.3 7.4 7.6 38.0 98 121 A E G >4 S+ 0 0 175 -2,-0.8 3,-1.5 1,-0.3 -1,-0.2 0.858 90.3 62.1 -53.1 -50.8 3.9 8.8 38.7 99 122 A E G 34 S+ 0 0 135 1,-0.3 -1,-0.3 -3,-0.1 -43,-0.1 0.750 117.6 30.5 -42.8 -34.5 4.2 12.0 36.7 100 123 A F G <4 S+ 0 0 17 -3,-2.0 -8,-1.5 -45,-0.1 2,-0.8 0.395 89.5 115.3-111.3 -1.5 4.8 9.9 33.5 101 124 A R B << +i 92 0D 133 -3,-1.5 2,-0.2 -4,-0.9 -10,-0.1 -0.618 51.1 92.7 -76.8 108.2 2.8 6.8 34.4 102 125 A Q S S- 0 0 86 -10,-1.5 2,-0.3 -2,-0.8 -8,-0.2 -0.873 76.6 -97.8 178.9 146.5 -0.1 6.6 31.9 103 126 A V - 0 0 112 -2,-0.2 2,-0.2 -10,-0.2 -11,-0.1 -0.616 56.5-179.7 -58.6 140.2 -1.5 5.3 28.6 104 127 A C - 0 0 15 -2,-0.3 8,-0.0 3,-0.1 6,-0.0 -0.747 42.0-122.2-141.2-176.0 -1.0 8.2 26.2 105 128 A D S S+ 0 0 126 -2,-0.2 7,-1.5 1,-0.1 8,-0.1 0.475 103.1 60.1-109.9 -11.3 -1.6 9.2 22.6 106 129 A C S S+ 0 0 30 6,-0.2 2,-0.7 5,-0.1 7,-0.4 0.546 71.6 104.9 -96.9 -12.1 2.0 9.9 21.8 107 130 A R S > S- 0 0 65 5,-0.1 3,-2.9 2,-0.1 5,-0.1 -0.658 82.1 -91.8 -78.9 109.5 3.7 6.5 22.4 108 131 A K T 3 S+ 0 0 2 -2,-0.7 29,-0.1 1,-0.4 28,-0.1 -0.353 118.7 47.1 -45.6 132.5 4.5 5.0 19.0 109 132 A P T 3 S+ 0 0 57 0, 0.0 -1,-0.4 0, 0.0 34,-0.2 -0.970 103.1 81.2 -81.1 2.9 2.7 3.1 17.4 110 133 A H S < S- 0 0 79 -3,-2.9 3,-0.4 1,-0.1 30,-0.1 -0.573 81.6-138.7 -67.1 137.7 0.1 5.8 18.4 111 134 A P >> + 0 0 31 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.334 66.1 118.5 -85.3 10.7 0.7 8.6 15.7 112 135 A G H 3> S+ 0 0 14 -7,-1.5 4,-2.4 1,-0.3 -6,-0.2 0.792 72.5 48.3 -47.6 -49.4 0.4 11.5 18.2 113 136 A M H 3> S+ 0 0 6 -7,-0.4 4,-1.9 -3,-0.4 -1,-0.3 0.870 112.8 49.1 -62.1 -37.4 3.9 13.0 17.9 114 137 A L H <> S+ 0 0 0 -3,-1.0 4,-2.2 1,-0.2 -1,-0.2 0.840 111.6 49.4 -72.4 -39.6 3.7 12.9 14.0 115 138 A L H X S+ 0 0 51 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.852 110.0 50.8 -63.0 -42.0 0.3 14.6 14.1 116 139 A S H X S+ 0 0 61 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.909 112.3 46.7 -61.1 -43.2 1.6 17.3 16.5 117 140 A A H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.907 110.2 54.3 -66.9 -42.6 4.5 18.0 14.2 118 141 A R H X>S+ 0 0 87 -4,-2.2 5,-1.5 1,-0.2 4,-1.2 0.905 112.7 41.9 -54.4 -48.5 2.1 18.0 11.1 119 142 A D H <5S+ 0 0 111 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.828 117.5 48.0 -69.4 -34.4 -0.1 20.7 12.7 120 143 A Y H <5S+ 0 0 174 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.940 125.0 26.1 -74.8 -47.1 2.8 22.7 14.0 121 144 A L H <5S- 0 0 46 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.438 103.4-119.0 -97.6 -3.8 4.9 22.8 10.8 122 145 A H T <5 - 0 0 127 -4,-1.2 -120,-1.7 -5,-0.3 2,-0.3 0.961 44.9-165.0 56.1 59.2 2.1 22.4 8.3 123 146 A I B < -a 2 0A 10 -5,-1.5 2,-1.1 -122,-0.2 -1,-0.2 -0.540 25.7-132.5 -82.5 133.2 3.6 19.1 7.0 124 147 A D - 0 0 65 -122,-2.8 3,-0.5 -2,-0.3 -120,-0.5 -0.753 26.8-171.6 -78.0 98.3 2.5 17.5 3.7 125 148 A M S > S+ 0 0 15 -2,-1.1 22,-2.4 1,-0.2 3,-1.9 0.898 79.1 54.4 -67.2 -45.0 2.1 13.9 5.1 126 149 A A T 3 S+ 0 0 67 1,-0.3 -1,-0.2 20,-0.2 -2,-0.1 0.812 111.2 47.8 -57.6 -31.6 1.6 12.1 1.8 127 150 A A T 3 S+ 0 0 42 -3,-0.5 -1,-0.3 20,-0.1 -2,-0.2 0.310 102.7 92.2 -88.8 3.8 4.9 13.6 0.6 128 151 A S < - 0 0 0 -3,-1.9 20,-2.1 17,-0.2 2,-0.3 -0.476 61.1-143.2-103.9 173.5 6.7 12.6 3.8 129 152 A Y E -ce 5 148B 32 -125,-1.9 -123,-3.6 18,-0.2 2,-0.4 -0.953 1.7-152.2-134.5 143.3 8.8 9.7 5.1 130 153 A M E -ce 6 149B 0 18,-1.9 20,-3.4 -2,-0.3 2,-0.5 -0.988 13.9-167.1-114.2 134.0 9.1 7.9 8.4 131 154 A V E +ce 7 150B 0 -125,-2.2 -123,-2.7 -2,-0.4 2,-0.3 -0.975 25.4 130.3-124.5 126.1 12.4 6.2 9.2 132 155 A G E - e 0 151B 0 18,-2.2 20,-1.8 -2,-0.5 -121,-0.1 -0.968 54.7-125.2-161.2 170.5 12.8 3.8 12.2 133 156 A D S S+ 0 0 4 -123,-0.3 2,-0.3 -2,-0.3 18,-0.1 0.409 83.4 69.0-104.0 2.5 14.1 0.3 13.2 134 157 A K S >> S- 0 0 54 1,-0.1 3,-1.6 24,-0.1 4,-1.2 -0.878 81.0-119.0-129.2 154.5 10.9 -1.0 14.7 135 158 A L H 3> S+ 0 0 53 -2,-0.3 4,-2.7 1,-0.3 3,-0.4 0.874 113.4 62.9 -44.8 -47.9 7.4 -2.2 13.9 136 159 A E H 3> S+ 0 0 49 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.753 100.7 53.4 -55.6 -28.4 6.0 0.7 16.1 137 160 A D H <> S+ 0 0 0 -3,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.897 110.6 44.4 -70.8 -44.0 7.7 3.2 13.7 138 161 A M H X S+ 0 0 0 -4,-1.2 4,-2.3 -3,-0.4 -2,-0.2 0.889 114.1 50.2 -70.1 -42.0 6.0 1.8 10.7 139 162 A Q H X S+ 0 0 80 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.885 109.0 51.4 -65.4 -39.7 2.6 1.5 12.5 140 163 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.926 111.4 49.8 -62.1 -40.5 2.8 5.2 13.7 141 164 A A H X>S+ 0 0 0 -4,-1.8 5,-2.6 2,-0.2 4,-0.6 0.927 107.9 50.1 -64.5 -49.3 3.5 6.3 10.1 142 165 A V H ><5S+ 0 0 88 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.921 111.9 50.2 -58.4 -42.2 0.6 4.4 8.5 143 166 A A H 3<5S+ 0 0 63 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 111.1 47.7 -60.2 -38.8 -1.7 5.9 11.1 144 167 A A H 3<5S- 0 0 4 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.392 115.3-116.2 -87.1 1.8 -0.4 9.5 10.4 145 168 A N T <<5 + 0 0 117 -3,-0.9 2,-0.3 -4,-0.6 -3,-0.2 0.781 47.6 177.5 65.3 35.1 -0.8 8.9 6.6 146 169 A V < - 0 0 5 -5,-2.6 -20,-0.2 -6,-0.1 -1,-0.2 -0.544 28.5-137.3 -72.4 123.4 3.0 9.2 6.1 147 170 A G S S+ 0 0 33 -22,-2.4 2,-0.4 -2,-0.3 -18,-0.2 0.837 82.9 29.2 -50.7 -44.5 3.5 8.6 2.3 148 171 A T E -e 129 0B 27 -20,-2.1 -18,-1.9 2,-0.0 2,-0.5 -0.976 65.3-157.6-133.5 127.0 6.6 6.4 2.7 149 172 A K E -e 130 0B 28 -2,-0.4 19,-2.6 -20,-0.2 18,-2.2 -0.874 13.6-169.0-108.8 118.1 7.6 4.1 5.5 150 173 A V E -ef 131 168B 0 -20,-3.4 -18,-2.2 -2,-0.5 2,-0.4 -0.939 6.3-164.7-118.3 119.5 11.3 3.2 5.8 151 174 A L E -ef 132 169B 0 17,-2.9 19,-3.0 -2,-0.5 2,-0.3 -0.815 12.9-154.0 -98.1 142.4 12.8 0.5 8.0 152 175 A V E - f 0 170B 0 -20,-1.8 3,-0.4 -2,-0.4 19,-0.2 -0.863 17.7-141.1-117.6 157.6 16.5 0.6 8.7 153 176 A R S S+ 0 0 125 17,-1.5 19,-0.2 -2,-0.3 18,-0.1 0.321 79.2 93.6 -96.1 9.4 18.9 -2.2 9.6 154 177 A T S S+ 0 0 43 -143,-0.2 -138,-0.3 16,-0.2 -1,-0.2 0.560 89.6 30.1 -85.9 -8.6 21.0 -0.2 12.0 155 178 A G S S+ 0 0 24 -3,-0.4 -144,-0.1 1,-0.4 3,-0.1 0.212 112.3 11.0-110.2-122.0 19.1 -1.1 15.2 156 179 A K S S- 0 0 86 1,-0.1 -1,-0.4 -2,-0.0 2,-0.1 -0.355 85.7 -97.3 -60.4 128.5 17.2 -4.2 16.2 157 180 A P - 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.393 62.8-106.0 -44.2 114.7 17.6 -7.3 14.0 158 181 A I - 0 0 48 -2,-0.1 -24,-0.1 -3,-0.1 -5,-0.0 -0.175 29.4-132.3 -62.8 144.8 14.4 -6.5 12.1 159 182 A T > - 0 0 62 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.504 19.8-118.2 -86.6 159.3 11.3 -8.6 12.8 160 183 A P H > S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.865 116.6 55.6 -65.8 -33.6 9.1 -10.0 9.9 161 184 A E H > S+ 0 0 108 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.940 107.6 47.4 -61.7 -45.7 6.2 -7.9 11.2 162 185 A A H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.940 113.8 48.3 -60.9 -43.7 8.2 -4.6 11.0 163 186 A E H < S+ 0 0 101 -4,-1.9 -1,-0.2 1,-0.2 3,-0.2 0.870 107.7 55.9 -63.3 -42.0 9.4 -5.6 7.5 164 187 A N H < S+ 0 0 130 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 110.4 44.5 -50.8 -48.7 5.7 -6.4 6.5 165 188 A A H < S+ 0 0 32 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.653 98.8 89.7 -77.0 -19.4 4.6 -2.9 7.5 166 189 A A < - 0 0 14 -4,-1.2 -16,-0.2 -3,-0.2 3,-0.1 -0.474 59.0-157.2 -79.5 146.9 7.5 -1.0 5.8 167 190 A D S S+ 0 0 85 -18,-2.2 2,-0.3 1,-0.3 -17,-0.2 0.870 84.3 22.1 -79.3 -49.8 7.5 0.2 2.3 168 191 A W E -f 150 0B 84 -19,-2.6 -17,-2.9 2,-0.0 2,-0.4 -0.886 62.1-157.8-116.8 151.4 11.3 0.3 2.1 169 192 A V E +f 151 0B 38 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.986 21.0 177.1-124.0 118.8 14.1 -1.4 4.0 170 193 A L E -f 152 0B 26 -19,-3.0 -17,-1.5 -2,-0.4 -16,-0.2 -0.868 39.3-123.6-117.4 155.4 17.5 0.3 3.9 171 194 A N S S- 0 0 99 -2,-0.3 -18,-0.3 -19,-0.2 2,-0.3 0.902 90.4 -12.7 -58.9 -35.9 20.7 -0.6 5.6 172 195 A S > - 0 0 11 -20,-0.2 3,-2.0 -19,-0.2 4,-0.3 -0.989 64.4-105.0-161.0 156.0 20.8 2.8 7.3 173 196 A L G > S+ 0 0 0 -161,-0.4 3,-1.9 -2,-0.3 -1,-0.1 0.806 116.4 73.6 -55.9 -30.1 19.4 6.4 7.3 174 197 A A G 3 S+ 0 0 35 -144,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.796 94.5 52.4 -53.6 -29.0 22.7 7.2 5.6 175 198 A D G <> S+ 0 0 68 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.557 86.2 88.6 -84.5 -8.2 21.2 5.4 2.5 176 199 A L H <> S+ 0 0 0 -3,-1.9 4,-2.8 -4,-0.3 5,-0.3 0.912 80.0 53.5 -63.2 -50.9 18.0 7.5 2.4 177 200 A P H > S+ 0 0 9 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.892 112.4 45.0 -51.9 -48.2 19.0 10.5 0.2 178 201 A Q H > S+ 0 0 140 -4,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.849 112.2 52.8 -62.7 -38.8 20.2 8.3 -2.6 179 202 A A H < S+ 0 0 27 -4,-1.8 -1,-0.2 2,-0.2 -3,-0.1 0.907 111.9 45.4 -62.1 -43.3 17.1 6.1 -2.3 180 203 A I H < S+ 0 0 35 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.899 110.9 52.1 -67.2 -46.7 14.8 9.2 -2.6 181 204 A K H < 0 0 108 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.844 360.0 360.0 -55.5 -37.2 16.9 10.6 -5.5 182 205 A K < 0 0 211 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.930 360.0 360.0 -82.1 360.0 16.4 7.2 -7.2