==== 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 3ESR . 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) . 8751.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 66.5 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 . 10 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 49 26.9 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 1 0 2 0 0 1 2 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 0 103 0, 0.0 122,-0.2 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 164.1 3.3 23.1 3.2 2 25 A V B -a 123 0A 55 120,-1.2 122,-3.9 119,-0.1 2,-0.2 -0.979 360.0-122.1-138.5 141.2 6.6 21.1 3.3 3 26 A P - 0 0 42 0, 0.0 42,-2.3 0, 0.0 2,-0.3 -0.602 38.1-158.6 -75.5 157.1 7.5 17.4 2.8 4 27 A A E -b 45 0B 0 120,-0.5 125,-2.4 40,-0.2 2,-0.6 -0.953 25.9-138.6-137.1 150.2 9.3 15.8 5.8 5 28 A I E -bc 46 129B 0 40,-2.8 42,-2.3 -2,-0.3 2,-0.4 -0.961 24.9-155.2 -99.1 112.7 11.6 13.0 6.9 6 29 A F E -bc 47 130B 0 123,-3.2 125,-2.5 -2,-0.6 2,-0.5 -0.749 16.9-155.0 -82.4 134.4 10.3 11.7 10.3 7 30 A L E -bc 48 131B 0 40,-2.9 42,-2.8 -2,-0.4 125,-0.2 -0.951 18.2-147.3-127.0 116.1 13.2 10.1 12.2 8 31 A D - 0 0 8 123,-2.4 42,-0.2 -2,-0.5 3,-0.1 -0.264 18.1-155.2 -41.8 153.5 13.4 7.5 14.9 9 32 A R >>> + 0 0 2 1,-0.2 4,-3.4 40,-0.2 3,-2.4 0.715 69.9 59.9-102.7 -79.4 16.4 8.2 17.1 10 33 A D B 345S+g 14 0C 21 1,-0.3 123,-0.3 2,-0.2 -1,-0.2 -0.309 122.7 8.4 -53.5 124.1 17.7 5.1 18.8 11 34 A G T 345S+ 0 0 0 3,-2.6 143,-0.3 143,-0.2 -1,-0.3 0.318 134.0 52.3 90.1 -8.0 18.7 2.6 16.1 12 35 A T T <45S+ 0 0 0 -3,-2.4 161,-0.3 2,-0.3 -2,-0.2 0.654 125.0 12.9-129.5 -47.6 18.4 5.1 13.3 13 36 A I T <5S+ 0 0 0 -4,-3.4 16,-2.7 1,-0.3 2,-0.3 0.827 133.2 27.1 -94.1 -55.1 20.4 8.3 14.3 14 37 A N B S- 0 0 88 1,-0.1 3,-1.4 46,-0.1 4,-0.1 -0.856 72.3-133.2-104.1 143.5 24.4 10.4 28.4 23 46 A I G > S+ 0 0 71 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.889 108.1 59.4 -50.7 -46.2 26.4 12.3 25.9 24 47 A D G 3 S+ 0 0 131 1,-0.3 -1,-0.3 -3,-0.0 0, 0.0 0.644 107.0 46.3 -66.7 -11.8 29.3 9.8 26.3 25 48 A N G < S+ 0 0 78 -3,-1.4 2,-0.6 2,-0.0 -1,-0.3 0.250 89.0 99.9-109.3 8.8 27.0 7.0 25.2 26 49 A F < + 0 0 15 -3,-2.1 2,-0.4 -4,-0.1 -10,-0.1 -0.911 46.1 172.5-101.6 120.5 25.6 8.8 22.2 27 50 A E - 0 0 102 -2,-0.6 -12,-2.0 -12,-0.2 2,-0.2 -0.981 28.9-133.2-131.8 108.0 27.3 7.7 19.0 28 51 A F B -H 14 0C 35 -2,-0.4 -14,-0.3 -14,-0.2 3,-0.1 -0.483 30.9-111.7 -60.2 129.8 25.9 8.8 15.7 29 52 A I > - 0 0 18 -16,-2.7 3,-1.5 -2,-0.2 4,-0.4 -0.315 49.7 -82.1 -55.0 143.0 25.6 5.9 13.1 30 53 A D T 3 S+ 0 0 139 1,-0.2 144,-0.3 2,-0.1 -1,-0.1 -0.260 110.0 3.8 -55.7 130.8 28.1 6.3 10.2 31 54 A G T 3> S+ 0 0 40 -3,-0.1 4,-2.2 1,-0.1 -1,-0.2 0.299 96.1 111.7 80.7 -9.5 27.1 8.6 7.4 32 55 A V H <> S+ 0 0 0 -3,-1.5 4,-2.5 2,-0.2 5,-0.2 0.860 74.9 50.7 -70.6 -34.4 23.8 9.7 9.1 33 56 A I H > S+ 0 0 15 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.977 114.5 44.4 -65.6 -49.4 24.8 13.4 9.7 34 57 A D H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.859 112.3 52.7 -56.6 -46.9 25.9 13.7 6.0 35 58 A A H X S+ 0 0 6 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.921 110.4 47.8 -55.3 -46.5 22.7 12.0 4.9 36 59 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.890 109.3 52.8 -62.4 -37.6 20.6 14.4 7.0 37 60 A R H X S+ 0 0 76 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.918 111.8 47.0 -63.0 -40.5 22.5 17.4 5.5 38 61 A E H X S+ 0 0 64 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.896 109.4 52.7 -67.1 -35.2 21.8 16.1 2.1 39 62 A L H <>S+ 0 0 0 -4,-2.2 5,-2.2 2,-0.2 -2,-0.2 0.895 110.3 48.7 -71.0 -36.6 18.0 15.5 3.0 40 63 A K H ><5S+ 0 0 59 -4,-2.3 3,-1.6 3,-0.2 -1,-0.2 0.918 110.4 52.0 -56.6 -53.2 17.9 19.2 4.1 41 64 A K H 3<5S+ 0 0 169 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.776 104.4 55.6 -53.4 -39.9 19.6 20.2 0.8 42 65 A M T 3<5S- 0 0 56 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.372 128.0 -99.5 -76.1 -0.1 16.9 18.3 -1.2 43 66 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.741 73.1 141.1 94.9 22.4 14.3 20.3 0.6 44 67 A F < - 0 0 20 -5,-2.2 -1,-0.3 -42,-0.1 -40,-0.2 -0.785 48.6-130.8 -95.5 141.6 12.9 18.1 3.4 45 68 A A E -b 4 0B 7 -42,-2.3 -40,-2.8 -2,-0.4 2,-0.5 -0.590 25.9-140.7 -70.5 150.9 12.0 19.2 6.9 46 69 A L E +b 5 0B 0 36,-0.3 38,-2.9 -2,-0.2 39,-1.2 -0.988 23.2 177.7-122.4 126.2 13.6 16.9 9.5 47 70 A V E -bd 6 85B 0 -42,-2.3 -40,-2.9 -2,-0.5 2,-0.2 -0.942 19.1-146.7-133.8 111.5 11.6 15.9 12.5 48 71 A V E -bd 7 86B 0 37,-2.1 39,-2.5 -2,-0.4 2,-0.3 -0.546 14.7-176.4 -71.3 138.8 12.8 13.5 15.2 49 72 A V E + d 0 87B 0 -42,-2.8 2,-0.4 -2,-0.2 39,-0.2 -0.827 15.0 171.9-139.4 101.4 10.0 11.4 16.8 50 73 A T E - d 0 88B 1 37,-2.0 39,-2.6 -2,-0.3 2,-0.5 -0.920 32.4-139.4-124.0 126.4 11.4 9.2 19.7 51 74 A N E + d 0 89B 20 -2,-0.4 -41,-0.2 37,-0.2 2,-0.1 -0.759 22.4 178.7 -73.9 128.5 9.8 7.0 22.4 52 75 A Q > + 0 0 5 37,-3.6 3,-1.4 -2,-0.5 4,-0.5 -0.570 17.1 154.8-132.5 64.8 11.7 7.6 25.7 53 76 A S T 3> + 0 0 23 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.617 59.8 84.4 -74.2 -9.5 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 0.821 87.0 58.4 -58.9 -29.7 13.2 5.2 30.3 55 78 A I H X45S+ 0 0 2 -3,-1.4 3,-0.7 2,-0.2 -1,-0.2 0.963 107.8 41.9 -60.9 -53.5 11.8 8.4 31.7 56 79 A A H 345S+ 0 0 0 34,-0.6 41,-2.1 -4,-0.5 40,-1.2 0.839 113.8 55.6 -61.0 -30.2 8.6 6.7 32.9 57 80 A R H 3<5S- 0 0 128 -4,-2.4 -1,-0.2 38,-0.2 -2,-0.2 0.717 112.2-120.6 -77.5 -21.1 10.7 3.8 34.0 58 81 A G T <<5S+ 0 0 45 -4,-1.2 -3,-0.2 -3,-0.7 -4,-0.1 0.581 78.5 123.6 86.1 10.4 12.9 6.0 36.2 59 82 A K S - 0 0 74 -2,-0.3 4,-2.1 -3,-0.1 5,-0.1 -0.558 26.8-113.0-101.5 164.3 15.0 12.1 34.0 62 85 A E H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.847 120.8 57.7 -59.3 -37.4 13.3 14.5 31.6 63 86 A A H > S+ 0 0 60 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.865 105.9 47.4 -61.5 -42.2 16.2 16.9 32.6 64 87 A Q H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.908 111.6 51.3 -65.1 -43.6 18.8 14.3 31.5 65 88 A F H X S+ 0 0 4 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.905 110.5 48.0 -59.4 -47.9 16.9 13.8 28.2 66 89 A E H X S+ 0 0 100 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.896 110.9 51.9 -57.8 -44.6 16.7 17.6 27.5 67 90 A T H X S+ 0 0 87 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.946 113.7 43.3 -58.1 -48.3 20.5 17.9 28.3 68 91 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 -47,-0.2 -2,-0.2 0.907 115.2 50.3 -64.0 -38.3 21.2 15.1 25.8 69 92 A T H X S+ 0 0 20 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.849 106.8 52.1 -71.0 -39.5 18.8 16.5 23.3 70 93 A E H X S+ 0 0 114 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.892 112.5 49.3 -54.6 -45.7 20.2 20.1 23.4 71 94 A W H X S+ 0 0 80 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.867 111.3 46.3 -60.8 -48.1 23.6 18.5 22.8 72 95 A M H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.915 112.4 52.0 -61.6 -49.7 22.4 16.4 19.8 73 96 A D H X S+ 0 0 50 -4,-2.4 4,-2.7 1,-0.2 10,-0.2 0.947 114.3 41.2 -51.7 -55.3 20.6 19.5 18.4 74 97 A W H X S+ 0 0 181 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.824 112.3 55.7 -56.9 -40.4 23.8 21.8 18.5 75 98 A S H < S+ 0 0 35 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.882 113.3 40.7 -69.6 -35.5 26.0 19.0 17.4 76 99 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 3,-1.0 0.900 113.9 53.1 -73.9 -44.4 23.8 18.6 14.2 77 100 A A H ><5S+ 0 0 37 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.872 103.7 56.0 -59.7 -40.5 23.4 22.3 13.7 78 101 A D T 3<5S+ 0 0 138 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.731 107.1 51.2 -63.0 -20.2 27.1 22.8 13.8 79 102 A R T < 5S- 0 0 95 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.031 128.0-101.0-105.7 22.0 27.3 20.3 10.9 80 103 A D T < 5S+ 0 0 127 -3,-1.8 2,-0.6 1,-0.2 -3,-0.2 0.744 84.8 128.8 57.2 32.0 24.7 22.2 9.0 81 104 A V < - 0 0 0 -5,-2.7 2,-0.8 -8,-0.1 -2,-0.2 -0.919 37.9-170.9-105.4 108.4 21.8 20.0 9.9 82 105 A D - 0 0 110 -2,-0.6 -36,-0.3 -5,-0.1 2,-0.1 -0.801 15.7-143.6-104.7 99.5 19.0 22.2 11.3 83 106 A L - 0 0 15 -2,-0.8 -36,-0.2 -10,-0.2 3,-0.1 -0.350 3.9-151.1 -64.4 137.3 16.3 19.9 12.7 84 107 A D S S- 0 0 56 -38,-2.9 2,-0.3 1,-0.3 -37,-0.2 0.806 73.5 -11.3 -81.5 -30.3 12.7 21.2 12.2 85 108 A G E -d 47 0B 13 -39,-1.2 -37,-2.1 2,-0.1 2,-0.4 -0.973 50.1-152.3-161.2 153.4 11.3 19.5 15.3 86 109 A I E -d 48 0B 50 -2,-0.3 2,-0.4 -39,-0.2 -37,-0.2 -0.954 22.0-178.9-130.7 118.0 12.2 17.0 18.0 87 110 A Y E +d 49 0B 50 -39,-2.5 -37,-2.0 -2,-0.4 2,-0.3 -0.883 2.5 179.4-115.2 143.8 9.2 15.2 19.5 88 111 A Y E -d 50 0B 61 -2,-0.4 -37,-0.2 -39,-0.2 19,-0.0 -0.989 23.4-142.6-145.1 153.4 9.5 12.7 22.2 89 112 A C E +d 51 0B 0 -39,-2.6 -37,-3.6 -2,-0.3 -34,-0.2 -0.958 14.7 178.7-115.4 114.9 7.2 10.5 24.3 90 113 A P + 0 0 11 0, 0.0 -34,-0.6 0, 0.0 2,-0.1 0.351 48.6 106.0 -92.0 6.6 8.2 10.0 27.9 91 114 A H + 0 0 28 -36,-0.1 10,-0.2 -35,-0.1 -35,-0.1 -0.400 35.6 169.8 -93.4 163.4 5.3 7.8 28.9 92 115 A H B > -i 101 0D 46 8,-1.3 3,-1.7 10,-0.2 10,-1.1 -0.816 37.0-127.8-158.6 139.0 4.6 4.2 29.7 93 116 A P T 3 S+ 0 0 59 0, 0.0 10,-0.2 0, 0.0 8,-0.1 0.763 113.1 38.8 -52.3 -32.8 1.4 2.6 31.2 94 117 A Q T 3 S+ 0 0 146 8,-0.1 7,-0.1 -3,-0.0 9,-0.0 0.188 84.5 146.2-104.7 16.0 3.4 0.9 33.9 95 118 A G < - 0 0 2 -3,-1.7 -38,-0.2 5,-0.2 6,-0.1 -0.144 44.5-148.1 -58.1 146.2 5.9 3.7 34.6 96 119 A S S S+ 0 0 81 -40,-1.2 2,-0.7 4,-0.1 -39,-0.2 0.549 83.5 82.4 -87.7 -11.7 7.1 4.0 38.2 97 120 A V S >> S- 0 0 53 -41,-2.1 3,-1.6 1,-0.1 4,-0.6 -0.880 76.9-150.9 -94.9 112.0 7.5 7.8 37.8 98 121 A E T 34 S+ 0 0 151 -2,-0.7 3,-0.4 1,-0.3 -1,-0.1 0.720 89.0 60.8 -60.3 -37.2 3.8 8.9 38.4 99 122 A E T 34 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.1 -43,-0.1 0.771 116.9 33.1 -55.6 -28.8 4.0 12.1 36.3 100 123 A F T <4 S+ 0 0 16 -3,-1.6 -8,-1.3 -44,-0.1 2,-0.9 0.390 88.7 110.7-119.3 -3.4 4.8 9.9 33.3 101 124 A R B < +i 92 0D 113 -4,-0.6 2,-0.3 -3,-0.4 -10,-0.1 -0.690 54.7 90.6 -84.0 103.4 2.8 6.8 34.1 102 125 A Q S S- 0 0 83 -10,-1.1 2,-0.3 -2,-0.9 -10,-0.2 -0.944 77.8 -95.4-177.0 155.6 -0.1 6.6 31.6 103 126 A V + 0 0 107 -2,-0.3 2,-0.2 -10,-0.2 -11,-0.0 -0.693 53.0 171.7 -73.9 143.4 -1.4 5.5 28.4 104 127 A C - 0 0 16 -2,-0.3 6,-0.1 3,-0.1 -15,-0.0 -0.785 41.8-123.1-142.6 178.2 -1.0 8.4 25.9 105 128 A D S S+ 0 0 117 -2,-0.2 7,-2.0 1,-0.1 8,-0.2 0.256 102.3 67.7-116.9 13.2 -1.4 8.9 22.2 106 129 A C S S+ 0 0 27 6,-0.2 2,-0.7 5,-0.2 7,-0.3 0.507 72.7 102.2 -96.1 -9.3 2.1 10.0 21.5 107 130 A R S > S- 0 0 59 5,-0.1 3,-2.3 2,-0.1 5,-0.1 -0.685 86.6 -90.9 -84.4 111.8 3.7 6.6 22.3 108 131 A K T 3 S+ 0 0 3 -2,-0.7 29,-0.1 1,-0.3 28,-0.1 -0.344 118.3 43.5 -53.7 134.7 4.5 4.9 18.9 109 132 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.3 0, 0.0 34,-0.2 -0.966 105.6 83.7 -76.9 2.0 2.6 3.0 17.3 110 133 A H S < S- 0 0 81 -3,-2.3 3,-0.4 1,-0.1 30,-0.1 -0.501 81.1-141.0 -69.2 139.4 0.2 5.7 18.3 111 134 A P >> + 0 0 29 0, 0.0 4,-1.8 0, 0.0 3,-0.7 0.427 65.5 114.2 -88.1 10.7 0.7 8.5 15.7 112 135 A G H 3> S+ 0 0 11 -7,-2.0 4,-2.3 1,-0.3 -6,-0.2 0.757 72.6 51.1 -59.2 -38.9 0.4 11.6 18.0 113 136 A M H 3> S+ 0 0 6 -3,-0.4 4,-2.1 -7,-0.3 -1,-0.3 0.925 113.1 46.4 -68.1 -37.2 4.0 12.9 17.7 114 137 A L H <> S+ 0 0 0 -3,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.869 113.1 51.3 -71.9 -37.8 3.9 12.9 13.9 115 138 A L H X S+ 0 0 52 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.836 109.2 49.0 -61.9 -40.5 0.4 14.5 14.0 116 139 A S H X S+ 0 0 64 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.918 113.8 46.3 -68.0 -41.9 1.6 17.3 16.3 117 140 A A H X S+ 0 0 0 -4,-2.1 4,-3.0 1,-0.2 5,-0.4 0.926 109.2 56.4 -63.9 -46.6 4.6 17.9 14.0 118 141 A R H X>S+ 0 0 90 -4,-2.5 5,-1.3 1,-0.2 4,-0.6 0.873 113.1 39.2 -48.6 -45.6 2.3 17.8 11.0 119 142 A D H <5S+ 0 0 108 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.800 118.2 48.7 -78.7 -27.6 0.1 20.6 12.4 120 143 A Y H <5S+ 0 0 184 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.929 124.7 25.8 -78.7 -44.3 2.9 22.7 13.8 121 144 A L H <5S- 0 0 42 -4,-3.0 -1,-0.2 -5,-0.2 -3,-0.2 0.378 105.6-119.8-103.7 -2.6 5.2 22.7 10.8 122 145 A H T <5 - 0 0 126 -4,-0.6 -120,-1.2 -5,-0.4 2,-0.3 0.964 42.0-162.6 56.2 66.8 2.4 22.3 8.2 123 146 A I B < -a 2 0A 11 -5,-1.3 2,-1.0 -122,-0.2 -1,-0.2 -0.593 25.4-130.4 -90.5 128.5 3.7 19.0 6.8 124 147 A D - 0 0 67 -122,-3.9 -120,-0.5 -2,-0.3 3,-0.4 -0.663 28.8-169.1 -68.0 102.7 2.7 17.4 3.5 125 148 A M S > S+ 0 0 16 -2,-1.0 22,-1.7 1,-0.2 3,-1.7 0.938 78.4 48.9 -69.9 -49.2 2.0 13.9 4.8 126 149 A A T 3 S+ 0 0 66 1,-0.3 -1,-0.2 20,-0.3 20,-0.1 0.663 112.0 50.7 -63.1 -23.1 1.7 11.9 1.6 127 150 A A T 3 S+ 0 0 44 -3,-0.4 -1,-0.3 -125,-0.1 -2,-0.2 0.320 101.3 95.8 -89.9 -0.1 5.0 13.4 0.2 128 151 A S < - 0 0 0 -3,-1.7 20,-1.8 17,-0.2 2,-0.3 -0.405 61.3-142.8 -96.6 166.1 6.7 12.5 3.5 129 152 A Y E -ce 5 148B 31 -125,-2.4 -123,-3.2 18,-0.2 2,-0.4 -0.940 0.5-154.9-127.2 143.8 8.9 9.6 4.8 130 153 A M E -ce 6 149B 0 18,-1.8 20,-3.3 -2,-0.3 2,-0.5 -0.997 12.6-168.9-118.6 127.0 9.2 7.8 8.2 131 154 A V E +ce 7 150B 1 -125,-2.5 -123,-2.4 -2,-0.4 2,-0.2 -0.987 24.7 134.6-118.2 126.1 12.5 6.1 8.9 132 155 A G E - e 0 151B 0 18,-2.1 20,-2.7 -2,-0.5 23,-0.1 -0.925 53.3-129.1-154.7 174.2 12.7 3.7 11.9 133 156 A D S S+ 0 0 2 -123,-0.3 2,-0.3 -2,-0.2 18,-0.1 0.483 82.9 64.1-106.8 -4.8 14.1 0.3 13.1 134 157 A K S >> S- 0 0 38 24,-0.1 3,-1.7 1,-0.1 4,-1.3 -0.856 80.5-116.6-129.4 156.3 10.9 -1.1 14.6 135 158 A L H 3> S+ 0 0 44 1,-0.3 4,-2.5 -2,-0.3 5,-0.2 0.895 112.8 60.0 -57.5 -47.2 7.3 -2.2 13.8 136 159 A E H 3> S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.735 101.6 56.9 -49.8 -26.4 5.8 0.6 16.0 137 160 A D H <> S+ 0 0 0 -3,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.928 109.8 43.8 -74.3 -44.6 7.6 3.1 13.7 138 161 A M H X S+ 0 0 0 -4,-1.3 4,-2.0 -3,-0.2 -2,-0.2 0.861 114.2 49.5 -59.2 -44.3 5.9 1.6 10.7 139 162 A Q H X S+ 0 0 83 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.867 109.7 50.8 -68.3 -35.9 2.5 1.4 12.4 140 163 A A H X S+ 0 0 0 -4,-1.7 4,-1.5 -5,-0.2 -2,-0.2 0.913 110.7 51.7 -65.7 -41.8 2.8 5.1 13.6 141 164 A A H <>S+ 0 0 0 -4,-1.9 5,-2.2 2,-0.2 4,-0.5 0.858 108.2 49.5 -63.7 -43.5 3.6 6.1 10.0 142 165 A V H ><5S+ 0 0 83 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.929 111.1 48.9 -61.3 -44.1 0.5 4.3 8.6 143 166 A A H 3<5S+ 0 0 65 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.766 111.7 50.8 -60.4 -35.1 -1.8 5.9 11.1 144 167 A A T 3<5S- 0 0 3 -4,-1.5 -1,-0.2 -5,-0.1 -2,-0.2 0.452 112.1-118.4 -84.3 -2.8 -0.3 9.3 10.2 145 168 A N T < 5 + 0 0 119 -3,-1.1 2,-0.4 -4,-0.5 -17,-0.2 0.795 46.6 174.4 63.7 34.1 -0.7 8.8 6.3 146 169 A V < - 0 0 7 -5,-2.2 -20,-0.3 1,-0.1 -1,-0.2 -0.598 30.0-138.9 -71.5 125.2 3.1 9.0 5.7 147 170 A G S S+ 0 0 36 -22,-1.7 2,-0.4 -2,-0.4 -18,-0.2 0.858 83.4 28.7 -53.0 -44.8 3.6 8.3 2.0 148 171 A T E -e 129 0B 28 -20,-1.8 -18,-1.8 2,-0.0 2,-0.5 -0.985 66.3-158.0-133.3 125.6 6.7 6.1 2.3 149 172 A K E -e 130 0B 22 -2,-0.4 18,-3.2 -20,-0.2 19,-2.0 -0.895 14.0-166.9-112.7 115.6 7.6 3.8 5.4 150 173 A V E -ef 131 168B 0 -20,-3.3 -18,-2.1 -2,-0.5 2,-0.4 -0.925 7.4-162.3-116.6 120.0 11.4 3.0 5.6 151 174 A L E -ef 132 169B 0 17,-2.7 19,-3.1 -2,-0.6 2,-0.3 -0.821 13.0-155.0 -96.1 133.1 12.8 0.3 7.9 152 175 A V E - f 0 170B 0 -20,-2.7 3,-0.4 -2,-0.4 19,-0.2 -0.759 17.1-143.8-109.1 163.1 16.5 0.5 8.6 153 176 A R S S+ 0 0 136 17,-1.0 19,-0.1 18,-0.5 18,-0.1 0.201 82.7 87.4-107.4 15.4 18.9 -2.3 9.6 154 177 A T S S+ 0 0 43 -143,-0.3 -138,-0.4 16,-0.2 -1,-0.2 0.459 98.3 22.7-101.2 -4.6 21.1 -0.2 11.9 155 178 A G S S+ 0 0 19 -3,-0.4 -144,-0.1 1,-0.3 3,-0.1 0.003 113.1 28.3-120.6-119.5 18.9 -0.9 15.0 156 179 A K S S- 0 0 63 1,-0.1 -1,-0.3 -2,-0.1 2,-0.2 -0.129 82.2-114.2 -57.8 112.5 16.4 -3.6 15.8 157 180 A P - 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 -0.449 59.4-104.5 -43.7 109.9 17.5 -6.8 14.1 158 181 A I - 0 0 35 -2,-0.2 -24,-0.1 -3,-0.1 -5,-0.0 0.002 31.5-138.0 -71.4 157.5 14.4 -6.5 12.1 159 182 A T > - 0 0 42 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.618 23.1-118.2 -95.9 158.7 11.3 -8.6 12.6 160 183 A P H > S+ 0 0 78 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.855 117.5 52.7 -61.7 -33.6 9.1 -10.2 9.8 161 184 A E H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.918 108.7 47.8 -64.8 -49.0 6.2 -8.0 11.1 162 185 A A H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.924 113.7 49.6 -55.4 -49.6 8.2 -4.7 11.0 163 186 A E H < S+ 0 0 93 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.855 107.8 53.1 -58.2 -40.8 9.3 -5.8 7.5 164 187 A N H < S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 109.8 47.9 -60.3 -40.4 5.7 -6.5 6.4 165 188 A A H < S+ 0 0 31 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.655 99.8 87.6 -77.9 -17.2 4.5 -3.0 7.5 166 189 A A < - 0 0 16 -4,-1.0 -16,-0.2 -3,-0.2 3,-0.1 -0.407 59.4-157.3 -82.0 156.7 7.4 -1.2 5.7 167 190 A D S S+ 0 0 84 -18,-3.2 2,-0.3 1,-0.3 -17,-0.2 0.852 83.6 21.8 -89.2 -52.1 7.6 0.1 2.1 168 191 A W E -f 150 0B 85 -19,-2.0 -17,-2.7 2,-0.0 2,-0.5 -0.841 63.1-154.4-114.7 141.4 11.5 0.1 1.8 169 192 A V E +f 151 0B 49 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.988 23.7 179.5-113.5 116.1 14.1 -1.7 3.9 170 193 A L E -f 152 0B 26 -19,-3.1 -17,-1.0 -2,-0.5 -16,-0.2 -0.802 38.0-124.9-110.5 159.3 17.5 0.1 3.9 171 194 A N S S- 0 0 109 1,-0.3 -18,-0.5 -2,-0.3 2,-0.3 0.888 88.6 -23.9 -66.9 -39.9 20.8 -0.7 5.5 172 195 A S > - 0 0 10 -20,-0.2 3,-2.1 -19,-0.1 -1,-0.3 -0.989 65.2 -93.7-162.3 161.8 20.8 2.6 7.2 173 196 A L G > S+ 0 0 0 -161,-0.3 3,-2.0 -2,-0.3 -1,-0.1 0.808 117.5 73.0 -43.9 -34.4 19.5 6.3 7.2 174 197 A A G 3 S+ 0 0 34 -144,-0.3 -1,-0.2 1,-0.3 4,-0.2 0.774 95.5 51.3 -57.2 -23.3 22.9 6.9 5.4 175 198 A D G <> S+ 0 0 68 -3,-2.1 4,-1.6 1,-0.1 -1,-0.3 0.511 86.7 88.8 -92.4 -5.6 21.3 5.2 2.3 176 199 A L H <> S+ 0 0 0 -3,-2.0 4,-2.1 -4,-0.2 5,-0.2 0.900 79.1 54.1 -67.4 -45.0 18.0 7.3 2.2 177 200 A P H > S+ 0 0 11 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.856 112.3 45.3 -60.5 -35.3 19.0 10.3 -0.1 178 201 A Q H > S+ 0 0 135 -4,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 112.5 52.0 -72.0 -42.5 20.2 8.0 -2.9 179 202 A A H < S+ 0 0 9 -4,-1.6 -1,-0.2 1,-0.2 -3,-0.1 0.795 112.5 46.3 -61.7 -31.1 17.1 5.8 -2.5 180 203 A I H < S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.901 111.2 51.7 -77.8 -42.9 14.9 8.9 -2.8 181 204 A K H < 0 0 104 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.929 360.0 360.0 -60.9 -45.0 16.8 10.3 -5.8 182 205 A K < 0 0 203 -4,-2.3 0, 0.0 -5,-0.1 0, 0.0 -0.271 360.0 360.0 -77.0 360.0 16.5 7.1 -7.9