==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-09 3L1U . COMPND 2 MOLECULE: D,D-HEPTOSE 1,7-BISPHOSPHATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.N.SUGIMAN-MARANGOS,M.S.JUNOP . 364 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17687.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 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 . 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 . 22 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 0 4 0 0 1 5 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 4 4 2 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 . 2 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 2 0 0 2 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 90 0, 0.0 122,-0.2 0, 0.0 121,-0.1 0.000 360.0 360.0 360.0 138.4 -10.1 2.9 3.3 2 25 A V B -a 123 0A 63 120,-1.9 122,-1.9 119,-0.5 2,-0.1 -0.871 360.0-125.6-109.4 139.2 -8.6 6.4 3.5 3 26 A P - 0 0 40 0, 0.0 42,-2.0 0, 0.0 2,-0.3 -0.481 34.6-162.9 -73.9 153.1 -4.9 7.3 3.2 4 27 A A E -b 45 0B 0 120,-0.4 125,-2.2 40,-0.2 2,-0.6 -0.923 26.3-132.4-137.0 158.3 -3.5 9.3 6.1 5 28 A I E -bc 46 129B 0 40,-2.9 42,-2.2 -2,-0.3 2,-0.4 -0.959 26.5-153.7-106.0 108.7 -0.6 11.5 7.1 6 29 A F E -bc 47 130B 0 123,-3.1 125,-2.2 -2,-0.6 2,-0.5 -0.693 17.2-156.2 -79.7 134.8 0.7 10.2 10.4 7 30 A L E -bc 48 131B 0 40,-3.0 42,-2.5 -2,-0.4 125,-0.2 -0.955 17.7-148.9-128.8 123.0 2.4 13.1 12.3 8 31 A D - 0 0 10 123,-2.5 42,-0.2 -2,-0.5 3,-0.1 -0.398 20.2-151.6 -66.2 157.2 5.0 13.3 15.0 9 32 A R >>> + 0 0 2 40,-0.2 4,-3.3 1,-0.2 3,-2.3 0.827 68.1 56.2-103.2 -79.4 4.4 16.3 17.3 10 33 A D B 345S+g 14 0C 21 1,-0.3 123,-0.3 2,-0.2 5,-0.2 -0.360 122.8 12.1 -58.6 129.1 7.5 17.8 19.0 11 34 A G T 345S+ 0 0 0 3,-3.1 -1,-0.3 143,-0.1 143,-0.2 0.403 133.3 51.3 85.3 -3.0 10.0 18.8 16.3 12 35 A T T <45S+ 0 0 0 -3,-2.3 161,-0.4 2,-0.4 -2,-0.2 0.608 126.6 11.0-129.6 -47.7 7.5 18.3 13.5 13 36 A I T <5S+ 0 0 0 -4,-3.3 16,-2.5 1,-0.3 2,-0.3 0.791 134.4 26.4-100.7 -47.4 4.4 20.3 14.4 14 37 A N B > - 0 0 83 1,-0.1 3,-1.6 46,-0.1 4,-0.5 -0.877 68.9-137.0-107.7 137.4 2.5 24.3 28.5 23 46 A I G >4 S+ 0 0 68 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.884 106.0 56.3 -52.4 -44.0 0.5 26.4 26.0 24 47 A D G 34 S+ 0 0 140 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.540 110.3 46.3 -75.9 -2.1 2.9 29.3 26.3 25 48 A N G <4 S+ 0 0 87 -3,-1.6 2,-0.7 2,-0.0 -1,-0.3 0.377 88.4 100.0-110.8 -1.1 5.8 27.0 25.3 26 49 A F << + 0 0 14 -3,-1.4 2,-0.5 -4,-0.5 -10,-0.1 -0.787 51.3 178.3 -88.8 114.5 3.9 25.4 22.4 27 50 A E - 0 0 103 -2,-0.7 -12,-2.5 -12,-0.3 2,-0.2 -0.946 24.8-134.2-125.3 109.7 5.1 27.1 19.2 28 51 A F B -H 14 0C 41 -2,-0.5 -14,-0.3 -14,-0.2 3,-0.1 -0.424 28.9-115.6 -62.2 129.0 3.8 26.0 15.9 29 52 A I > - 0 0 18 -16,-2.5 3,-1.8 -2,-0.2 4,-0.5 -0.392 47.1 -83.2 -61.9 142.3 6.6 25.6 13.3 30 53 A D T 3 S+ 0 0 140 1,-0.3 144,-0.3 2,-0.1 -1,-0.1 -0.201 107.8 0.3 -54.5 129.3 6.3 28.0 10.4 31 54 A G T 3> S+ 0 0 38 -3,-0.1 4,-2.1 1,-0.1 -1,-0.3 0.347 95.3 111.9 81.8 -6.4 3.9 27.0 7.7 32 55 A V H <> S+ 0 0 0 -3,-1.8 4,-2.7 2,-0.2 5,-0.2 0.879 74.9 52.9 -70.6 -37.0 2.9 23.7 9.2 33 56 A I H > S+ 0 0 18 -4,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.931 112.6 43.8 -64.1 -45.7 -0.7 24.8 9.9 34 57 A D H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.908 113.1 53.7 -62.6 -42.3 -1.3 25.8 6.3 35 58 A A H X S+ 0 0 6 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.928 109.0 47.5 -57.0 -48.1 0.5 22.7 5.1 36 59 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.890 109.2 54.0 -63.1 -39.8 -1.9 20.5 7.2 37 60 A R H X S+ 0 0 87 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.893 110.5 46.8 -60.3 -40.1 -4.9 22.4 5.8 38 61 A E H X S+ 0 0 64 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.859 107.8 56.1 -70.0 -36.7 -3.7 21.7 2.3 39 62 A L H <>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 -2,-0.2 0.858 107.6 49.4 -64.3 -35.6 -3.1 18.0 3.2 40 63 A K H ><5S+ 0 0 56 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.903 109.1 51.9 -66.0 -43.7 -6.8 17.8 4.3 41 64 A K H 3<5S+ 0 0 169 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.855 103.5 58.6 -60.5 -36.3 -7.8 19.4 1.0 42 65 A M T 3<5S- 0 0 55 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.462 126.3-102.0 -75.4 -2.5 -5.8 16.8 -0.8 43 66 A G T < 5S+ 0 0 48 -3,-1.6 2,-0.3 1,-0.3 -3,-0.2 0.549 73.6 139.9 98.9 9.2 -7.9 14.1 0.9 44 67 A F < - 0 0 24 -5,-2.3 -1,-0.3 -42,-0.1 2,-0.3 -0.631 48.8-132.7 -86.7 143.0 -5.6 12.9 3.6 45 68 A A E -b 4 0B 7 -42,-2.0 -40,-2.9 -2,-0.3 2,-0.5 -0.648 24.7-138.6 -77.9 148.3 -6.7 12.0 7.1 46 69 A L E +b 5 0B 0 36,-0.3 38,-2.2 -2,-0.3 39,-1.2 -0.966 24.2 177.5-116.3 127.5 -4.4 13.6 9.7 47 70 A V E -bd 6 85B 0 -42,-2.2 -40,-3.0 -2,-0.5 2,-0.4 -0.967 18.6-148.2-135.6 117.0 -3.4 11.6 12.7 48 71 A V E -bd 7 86B 1 37,-2.5 39,-3.1 -2,-0.4 2,-0.4 -0.683 15.0-178.5 -81.4 132.0 -1.0 12.7 15.4 49 72 A V E + d 0 87B 0 -42,-2.5 2,-0.4 -2,-0.4 39,-0.2 -0.927 16.2 169.9-131.9 109.3 1.1 9.9 17.0 50 73 A T E - d 0 88B 2 37,-2.2 39,-1.9 -2,-0.4 2,-0.4 -0.968 34.2-136.1-135.1 128.7 3.3 11.2 19.7 51 74 A N E + d 0 89B 20 -2,-0.4 -41,-0.2 37,-0.2 -42,-0.1 -0.674 22.0 178.4 -75.0 132.2 5.5 9.8 22.5 52 75 A Q > + 0 0 7 37,-3.1 3,-1.6 -2,-0.4 4,-0.5 -0.550 15.6 156.6-134.9 65.7 5.0 11.7 25.7 53 76 A S T 3> + 0 0 22 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.615 59.9 85.0 -71.6 -11.4 7.3 10.0 28.2 54 77 A G H 3>>S+ 0 0 1 1,-0.2 5,-1.9 2,-0.2 6,-1.2 0.789 85.7 58.5 -58.8 -26.7 7.4 13.1 30.3 55 78 A I H X45S+ 0 0 3 -3,-1.6 3,-0.8 2,-0.2 -1,-0.2 0.968 108.0 42.3 -65.3 -55.2 4.2 11.8 31.8 56 79 A A H 345S+ 0 0 0 34,-0.9 41,-2.3 -4,-0.5 40,-1.3 0.820 114.2 54.8 -57.5 -31.9 5.9 8.6 33.0 57 80 A R H 3<5S- 0 0 118 -4,-2.2 -1,-0.2 38,-0.2 -2,-0.2 0.717 111.4-119.6 -79.2 -20.0 8.9 10.7 34.1 58 81 A G T <<5S+ 0 0 48 -4,-1.1 -3,-0.2 -3,-0.8 3,-0.1 0.536 78.2 125.3 89.8 7.6 6.8 13.0 36.3 59 82 A K S - 0 0 72 -2,-0.3 4,-1.7 -3,-0.1 5,-0.1 -0.307 27.1-114.7 -87.2 169.5 0.7 15.0 34.3 62 85 A E H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.824 119.0 59.2 -67.5 -32.8 -1.7 13.3 31.9 63 86 A A H > S+ 0 0 64 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 105.5 47.6 -60.1 -46.8 -4.2 16.1 32.9 64 87 A Q H > S+ 0 0 68 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 110.1 53.0 -62.5 -38.8 -1.7 18.7 31.7 65 88 A F H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.872 109.2 48.7 -65.1 -37.8 -1.2 16.8 28.4 66 89 A E H X S+ 0 0 112 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.906 108.9 53.3 -68.1 -42.6 -4.9 16.7 27.8 67 90 A T H X S+ 0 0 83 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.942 114.4 41.5 -55.8 -49.7 -5.2 20.4 28.5 68 91 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 -47,-0.2 -2,-0.2 0.893 115.1 50.7 -65.4 -40.9 -2.5 21.2 25.9 69 92 A T H X S+ 0 0 18 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.896 109.6 50.3 -67.9 -40.8 -3.8 18.6 23.4 70 93 A E H X S+ 0 0 116 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.923 111.6 48.6 -58.3 -47.6 -7.3 20.1 23.6 71 94 A W H X S+ 0 0 78 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.905 111.3 49.8 -59.1 -44.4 -5.9 23.5 23.0 72 95 A M H X S+ 0 0 2 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.901 109.6 52.4 -60.1 -43.3 -3.9 22.2 20.1 73 96 A D H X S+ 0 0 53 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.908 112.2 44.3 -61.5 -46.7 -7.0 20.6 18.7 74 97 A W H X S+ 0 0 165 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.898 110.3 54.1 -63.7 -45.2 -9.1 23.8 18.8 75 98 A S H < S+ 0 0 30 -4,-2.4 4,-0.5 2,-0.2 -2,-0.2 0.915 114.5 41.7 -59.3 -42.8 -6.3 26.0 17.4 76 99 A L H ><>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 3,-1.4 0.944 114.4 49.8 -69.1 -49.9 -6.1 23.7 14.4 77 100 A A H ><5S+ 0 0 38 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.851 107.5 55.8 -56.0 -37.4 -9.8 23.3 14.0 78 101 A D T 3<5S+ 0 0 131 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.662 107.1 49.7 -73.1 -16.3 -10.2 27.0 14.2 79 102 A R T < 5S- 0 0 102 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.060 128.4-102.1-102.8 20.1 -7.7 27.3 11.3 80 103 A D T < 5S+ 0 0 133 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.851 85.2 127.6 57.3 39.9 -9.8 24.7 9.4 81 104 A V < - 0 0 0 -5,-2.4 2,-0.8 -8,-0.1 -2,-0.2 -0.955 38.8-170.8-118.6 107.2 -7.5 21.8 10.2 82 105 A D - 0 0 101 -2,-0.5 -36,-0.3 -5,-0.1 2,-0.1 -0.841 15.1-142.6-106.2 99.4 -9.6 19.0 11.7 83 106 A L - 0 0 12 -2,-0.8 -36,-0.2 -10,-0.2 3,-0.1 -0.355 2.8-153.9 -61.9 133.4 -7.4 16.2 13.0 84 107 A D S S+ 0 0 56 -38,-2.2 2,-0.3 1,-0.3 -37,-0.2 0.696 73.9 0.3 -82.6 -21.4 -8.9 12.8 12.5 85 108 A G E -d 47 0B 12 -39,-1.2 -37,-2.5 2,-0.0 2,-0.4 -0.961 52.0-158.8-167.0 147.2 -7.0 11.2 15.4 86 109 A I E +d 48 0B 52 -2,-0.3 2,-0.4 -39,-0.2 -37,-0.2 -0.946 19.6 175.8-134.9 114.1 -4.6 12.0 18.2 87 110 A Y E +d 49 0B 48 -39,-3.1 -37,-2.2 -2,-0.4 2,-0.3 -0.893 1.3 175.5-118.3 145.9 -2.7 9.1 19.8 88 111 A Y E -d 50 0B 61 -2,-0.4 -37,-0.2 -39,-0.2 19,-0.1 -0.992 24.7-142.8-148.5 152.8 -0.0 9.3 22.5 89 112 A C E -d 51 0B 0 -39,-1.9 -37,-3.1 -2,-0.3 -34,-0.1 -0.965 13.1-179.7-117.9 112.9 2.1 7.0 24.6 90 113 A P + 0 0 8 0, 0.0 -34,-0.9 0, 0.0 2,-0.1 0.309 49.6 112.9 -89.8 9.0 2.7 8.3 28.2 91 114 A H + 0 0 29 -36,-0.1 10,-0.2 -35,-0.1 -39,-0.1 -0.374 34.9 168.6 -90.1 159.9 4.8 5.2 29.0 92 115 A H B > -i 101 0D 49 8,-1.4 3,-2.3 10,-0.3 10,-1.1 -0.857 37.0-129.8-162.2 133.9 8.5 4.6 29.8 93 116 A P T 3 S+ 0 0 59 0, 0.0 10,-0.2 0, 0.0 8,-0.1 0.787 113.1 40.4 -54.3 -30.4 10.0 1.4 31.2 94 117 A Q T 3 S+ 0 0 145 8,-0.1 7,-0.1 7,-0.1 9,-0.0 0.110 85.1 157.9-107.3 18.7 11.8 3.4 34.0 95 118 A G < - 0 0 2 -3,-2.3 -38,-0.2 5,-0.2 6,-0.1 -0.110 38.0-152.0 -47.0 134.5 8.8 5.7 34.7 96 119 A S S S+ 0 0 79 -40,-1.3 2,-0.7 1,-0.1 -39,-0.2 0.719 83.4 78.4 -78.6 -23.0 8.9 7.3 38.1 97 120 A V S >> S- 0 0 52 -41,-2.3 3,-1.7 1,-0.2 4,-0.8 -0.807 77.8-148.7 -94.0 117.1 5.1 7.5 38.0 98 121 A E G >4 S+ 0 0 143 -2,-0.7 3,-1.6 1,-0.3 -1,-0.2 0.879 90.7 60.0 -53.8 -53.8 3.8 4.1 38.8 99 122 A E G 34 S+ 0 0 139 1,-0.3 -1,-0.3 -3,-0.1 -43,-0.1 0.713 117.8 32.4 -46.8 -27.4 0.7 4.2 36.7 100 123 A F G <4 S+ 0 0 17 -3,-1.7 -8,-1.4 -44,-0.1 2,-0.9 0.374 86.5 115.0-117.8 -0.3 2.8 4.7 33.5 101 124 A R B << +i 92 0D 117 -3,-1.6 2,-0.3 -4,-0.8 -10,-0.1 -0.655 52.0 90.9 -77.8 107.4 5.9 2.7 34.4 102 125 A Q S S- 0 0 88 -10,-1.1 -10,-0.3 -2,-0.9 2,-0.2 -0.913 75.8 -97.8 179.1 155.3 6.0 -0.1 31.9 103 126 A V - 0 0 107 -2,-0.3 2,-0.3 -10,-0.2 -11,-0.1 -0.508 54.4-179.7 -70.3 158.3 7.2 -1.4 28.6 104 127 A C - 0 0 13 -2,-0.2 8,-0.1 3,-0.1 6,-0.1 -0.946 44.5-117.4-155.9 175.3 4.4 -1.1 26.1 105 128 A D S S+ 0 0 136 -2,-0.3 7,-1.5 1,-0.1 8,-0.2 0.537 105.2 57.9 -90.8 -11.0 3.2 -1.6 22.5 106 129 A C S S+ 0 0 32 6,-0.2 2,-0.7 5,-0.1 7,-0.4 0.571 72.2 101.4-107.3 -8.9 2.7 2.1 21.8 107 130 A R S > S- 0 0 64 5,-0.1 3,-2.6 -19,-0.1 5,-0.1 -0.670 83.0 -88.7 -78.3 115.6 6.1 3.8 22.4 108 131 A K T 3 S+ 0 0 3 -2,-0.7 29,-0.1 1,-0.4 28,-0.1 -0.340 118.6 47.1 -53.8 141.4 7.7 4.5 19.0 109 132 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.4 0, 0.0 34,-0.2 -0.966 102.9 85.6 -80.5 8.5 9.5 2.7 17.4 110 133 A H S < S- 0 0 82 -3,-2.6 3,-0.4 1,-0.1 4,-0.2 -0.505 77.8-141.7 -61.4 139.8 6.7 0.3 18.3 111 134 A P >> + 0 0 27 0, 0.0 4,-2.0 0, 0.0 3,-0.6 0.398 66.4 116.8 -88.5 8.5 4.0 0.8 15.7 112 135 A G H 3> S+ 0 0 14 -7,-1.5 4,-2.2 1,-0.3 -6,-0.2 0.803 72.9 48.3 -45.4 -50.3 1.2 0.4 18.2 113 136 A M H 3> S+ 0 0 5 -3,-0.4 4,-2.2 -7,-0.4 -1,-0.3 0.909 112.7 49.1 -59.6 -43.7 -0.3 3.9 17.9 114 137 A L H <> S+ 0 0 0 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.855 110.9 50.3 -65.6 -36.3 -0.2 3.7 14.1 115 138 A L H X S+ 0 0 50 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.858 109.0 51.6 -69.1 -36.5 -1.9 0.3 14.1 116 139 A S H X S+ 0 0 64 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.926 112.1 46.0 -66.0 -44.5 -4.7 1.6 16.5 117 140 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.3 0.900 110.2 55.2 -63.2 -42.6 -5.3 4.5 14.1 118 141 A R H X>S+ 0 0 91 -4,-2.2 5,-1.5 1,-0.2 4,-0.9 0.917 111.8 42.3 -55.9 -48.6 -5.3 2.1 11.2 119 142 A D H <5S+ 0 0 109 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.854 117.5 48.3 -67.6 -34.5 -8.0 -0.1 12.7 120 143 A Y H <5S+ 0 0 184 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.924 123.1 27.1 -75.8 -46.1 -10.1 2.9 13.9 121 144 A L H <5S- 0 0 42 -4,-2.8 -119,-0.5 -5,-0.1 -1,-0.2 0.348 103.6-118.8-100.5 3.2 -10.2 5.0 10.8 122 145 A H T <5 - 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n 0 334F 0 18,-2.1 20,-1.8 -2,-0.5 -121,-0.1 -0.970 56.4-124.9-164.9 173.3 16.4 51.1 12.0 316 156 B D S S+ 0 0 11 -123,-0.3 2,-0.3 -2,-0.3 18,-0.1 0.299 82.8 72.4-110.4 5.4 13.0 49.9 12.9 317 157 B K S >> S- 0 0 92 1,-0.1 4,-1.4 24,-0.1 3,-0.5 -0.845 78.1-122.8-126.5 161.8 11.7 53.1 14.6 318 158 B L H 3> S+ 0 0 52 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.908 112.5 60.8 -60.0 -45.3 10.6 56.6 13.9 319 159 B E H 3> S+ 0 0 56 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.782 103.3 53.0 -57.5 -28.2 13.3 58.0 16.2 320 160 B D H <> S+ 0 0 1 -3,-0.5 4,-1.5 2,-0.2 -1,-0.3 0.912 110.0 45.9 -69.0 -45.5 15.8 56.3 13.8 321 161 B M H X S+ 0 0 1 -4,-1.4 4,-2.0 -3,-0.3 -2,-0.2 0.875 113.3 49.6 -67.4 -38.5 14.4 58.0 10.7 322 162 B Q H X S+ 0 0 85 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.864 107.6 53.3 -70.6 -38.3 14.2 61.4 12.4 323 163 B A H X S+ 0 0 0 -4,-1.5 4,-1.1 -5,-0.3 -1,-0.2 0.881 110.1 50.4 -61.8 -38.0 17.8 61.2 13.6 324 164 B A H X>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 4,-0.5 0.930 107.3 50.5 -67.0 -47.2 18.9 60.5 10.1 325 165 B V H ><5S+ 0 0 90 -4,-2.0 3,-0.8 1,-0.3 -1,-0.2 0.877 111.1 49.3 -63.6 -37.9 17.0 63.4 8.4 326 166 B A H 3<5S+ 0 0 67 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.795 111.0 50.4 -68.4 -29.3 18.5 65.9 10.9 327 167 B A H 3<5S- 0 0 5 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.468 113.3-121.9 -86.7 -3.9 22.0 64.4 10.2 328 168 B N T <<5 + 0 0 120 -3,-0.8 2,-0.4 -4,-0.5 -17,-0.2 0.860 44.8 176.6 60.8 36.9 21.4 64.8 6.5 329 169 B V < - 0 0 5 -5,-2.4 -20,-0.2 1,-0.1 -1,-0.2 -0.613 30.9-133.4 -68.2 128.1 21.9 61.1 5.9 330 170 B G S S+ 0 0 36 -22,-2.5 2,-0.4 -2,-0.4 -18,-0.2 0.858 83.8 26.2 -55.1 -43.7 21.2 60.5 2.2 331 171 B T E -n 312 0F 28 -20,-1.9 -18,-2.1 19,-0.0 2,-0.6 -0.979 64.5-158.7-134.9 125.6 19.0 57.4 2.6 332 172 B K E -n 313 0F 25 -2,-0.4 18,-2.3 -20,-0.2 19,-2.2 -0.894 12.3-168.2-109.5 119.3 16.8 56.4 5.5 333 173 B V E -no 314 351F 0 -20,-3.1 -18,-2.1 -2,-0.6 2,-0.3 -0.923 5.5-164.2-114.9 121.6 15.9 52.7 5.7 334 174 B L E -no 315 352F 0 17,-2.6 19,-2.2 -2,-0.5 2,-0.3 -0.803 13.4-152.5 -97.7 144.1 13.2 51.3 8.0 335 175 B V E - o 0 353F 0 -20,-1.8 3,-0.5 -2,-0.3 19,-0.2 -0.879 18.6-136.4-119.6 154.2 13.2 47.5 8.6 336 176 B R S S+ 0 0 120 17,-1.4 18,-0.1 -2,-0.3 19,-0.1 -0.024 79.0 98.9 -95.4 30.6 10.3 45.2 9.6 337 177 B T S S+ 0 0 37 -143,-0.3 -138,-0.4 -22,-0.1 -1,-0.2 0.462 74.9 52.9-102.3 -0.7 12.3 43.3 12.2 338 178 B G S S- 0 0 25 -3,-0.5 3,-0.1 1,-0.4 -144,-0.1 -0.002 114.3 -40.2 -99.5-146.7 11.1 45.0 15.4 339 179 B K S S- 0 0 170 1,-0.2 -1,-0.4 -2,-0.1 3,-0.1 -0.413 93.8 -62.9 -71.0 160.9 7.5 45.5 16.5 340 180 B P - 0 0 123 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.167 66.0-109.7 -49.4 134.0 5.2 46.4 13.6 341 181 B I - 0 0 41 -3,-0.1 -24,-0.1 1,-0.1 -5,-0.0 -0.183 28.2-122.6 -63.4 158.5 6.2 49.7 12.2 342 182 B T > - 0 0 63 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.561 18.6-117.6 -93.8 164.1 4.1 52.8 12.7 343 183 B P H > S+ 0 0 75 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.858 116.5 55.1 -68.9 -31.3 2.7 54.9 9.9 344 184 B E H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.968 109.7 43.2 -62.8 -56.5 4.7 57.8 11.3 345 185 B A H > S+ 0 0 1 1,-0.2 4,-1.2 2,-0.2 3,-0.4 0.916 114.1 53.9 -52.0 -45.7 8.0 55.9 11.2 346 186 B E H < S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.817 107.9 48.2 -62.4 -34.1 7.0 54.6 7.7 347 187 B N H < S+ 0 0 130 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.737 108.9 53.3 -81.7 -23.4 6.4 58.1 6.3 348 188 B A H < S+ 0 0 34 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.719 98.3 85.8 -78.3 -23.1 9.7 59.5 7.6 349 189 B A < - 0 0 15 -4,-1.2 -16,-0.2 -5,-0.2 3,-0.1 -0.410 61.8-156.7 -82.4 152.9 11.6 56.6 5.9 350 190 B D S S+ 0 0 83 -18,-2.3 2,-0.3 1,-0.2 -17,-0.2 0.881 82.6 23.2 -86.3 -55.2 12.8 56.5 2.3 351 191 B W E -o 333 0F 78 -19,-2.2 -17,-2.6 2,-0.0 2,-0.4 -0.790 62.1-160.6-109.1 156.0 13.0 52.7 2.0 352 192 B V E +o 334 0F 39 -2,-0.3 2,-0.3 -19,-0.2 -17,-0.2 -0.930 19.2 170.6-134.1 113.4 11.3 49.9 3.9 353 193 B L E -o 335 0F 21 -19,-2.2 -17,-1.4 -2,-0.4 3,-0.1 -0.799 44.0-116.1-117.6 162.6 12.8 46.5 3.8 354 194 B N S S- 0 0 98 -2,-0.3 2,-0.3 -19,-0.2 -19,-0.1 0.840 90.0 -19.7 -65.8 -32.9 12.0 43.3 5.7 355 195 B S > - 0 0 15 -20,-0.2 3,-1.9 -19,-0.1 4,-0.3 -0.990 67.0 -92.9-168.7 165.6 15.4 43.3 7.3 356 196 B L G > S+ 0 0 0 -161,-0.4 3,-1.3 -2,-0.3 -142,-0.1 0.754 115.0 72.3 -55.6 -28.0 19.0 44.5 7.3 357 197 B A G 3 S+ 0 0 33 -144,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.777 94.9 52.2 -59.3 -28.9 19.8 41.3 5.5 358 198 B D G <> S+ 0 0 66 -3,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.556 85.9 88.6 -85.3 -9.8 18.1 42.8 2.4 359 199 B L H <> S+ 0 0 0 -3,-1.3 4,-2.3 -4,-0.3 5,-0.3 0.920 81.0 54.0 -60.9 -49.6 20.1 46.0 2.4 360 200 B P H > S+ 0 0 9 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.920 112.2 43.3 -53.5 -48.8 23.1 45.0 0.2 361 201 B Q H > S+ 0 0 134 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.862 112.9 55.0 -63.6 -35.3 21.0 43.7 -2.7 362 202 B A H < S+ 0 0 6 -4,-1.8 -1,-0.2 1,-0.2 -3,-0.2 0.848 111.1 43.8 -64.7 -36.7 18.8 46.8 -2.3 363 203 B I H < S+ 0 0 32 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.887 109.4 56.4 -75.6 -39.5 21.8 49.1 -2.7 364 204 B K H < 0 0 105 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.812 360.0 360.0 -62.3 -32.6 23.3 47.1 -5.5 365 205 B K < 0 0 182 -4,-1.5 -4,-0.0 -5,-0.2 0, 0.0 -0.531 360.0 360.0 -71.6 360.0 20.1 47.6 -7.6