==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-APR-11 3RHG . COMPND 2 MOLECULE: PUTATIVE PHOPHOTRIESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR Y.PATSKOVSKY,B.HILLERICH,R.D.SEIDEL,W.D.ZENCHECK,R.TORO,H.J. . 363 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14771.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 26.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 3.6 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 4 0 0 2 2 1 0 1 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 3 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 A M 0 0 152 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.4 48.7 10.2 -20.3 2 2 A K - 0 0 172 1,-0.1 342,-0.0 343,-0.1 0, 0.0 0.875 360.0-162.7 52.6 42.4 46.3 7.2 -20.4 3 3 A G + 0 0 15 10,-0.1 11,-2.4 342,-0.1 12,-0.3 -0.176 19.7 155.4 -57.3 147.5 44.2 8.8 -17.6 4 4 A Y E -A 13 0A 73 339,-1.1 2,-0.4 9,-0.3 9,-0.2 -0.971 36.2-124.3-162.1 166.7 41.8 6.5 -15.8 5 5 A I E -A 12 0A 3 7,-2.5 7,-2.5 -2,-0.3 2,-0.8 -0.975 21.2-130.7-118.0 139.6 39.9 6.1 -12.5 6 6 A Q E -A 11 0A 25 -2,-0.4 115,-0.3 5,-0.2 2,-0.2 -0.801 33.4-172.5 -88.0 112.4 40.1 3.0 -10.3 7 7 A T E > -A 10 0A 1 3,-2.1 3,-1.6 -2,-0.8 153,-0.4 -0.504 42.3 -95.4 -96.1 174.4 36.5 2.0 -9.5 8 8 A V T 3 S+ 0 0 7 111,-2.8 112,-0.1 1,-0.3 101,-0.1 0.571 128.2 39.4 -69.8 -7.0 35.3 -0.6 -7.1 9 9 A T T 3 S- 0 0 80 1,-0.5 -1,-0.3 110,-0.3 111,-0.1 0.218 128.7 -69.5-123.4 13.5 35.2 -3.0 -10.0 10 10 A G E < S-A 7 0A 16 -3,-1.6 -3,-2.1 150,-0.2 -1,-0.5 -0.630 71.0 -33.5 127.5 175.1 38.3 -2.0 -11.9 11 11 A P E -A 6 0A 89 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.423 44.7-165.6 -72.8 140.7 39.9 0.8 -14.0 12 12 A V E -A 5 0A 23 -7,-2.5 -7,-2.5 -2,-0.1 5,-0.1 -0.996 25.3-116.0-124.2 131.3 37.8 2.9 -16.3 13 13 A K E > -A 4 0A 140 -2,-0.4 3,-1.8 -9,-0.2 4,-0.3 -0.338 22.7-118.1 -66.9 148.1 39.4 5.2 -18.9 14 14 A K G > S+ 0 0 70 -11,-2.4 3,-1.6 1,-0.3 4,-0.3 0.883 113.7 54.8 -49.9 -46.4 39.0 8.9 -18.6 15 15 A A G 3 S+ 0 0 96 -12,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.677 106.1 53.8 -67.6 -14.8 37.2 9.2 -21.9 16 16 A D G < S+ 0 0 102 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.385 79.9 92.7 -97.9 0.9 34.6 6.6 -20.8 17 17 A M < + 0 0 0 -3,-1.6 73,-0.2 -4,-0.3 101,-0.2 0.817 60.2 175.0 -71.3 -27.5 33.6 8.3 -17.5 18 18 A G + 0 0 26 -4,-0.3 2,-0.3 -3,-0.3 -1,-0.1 -0.170 56.2 8.3 56.3-155.9 30.6 10.2 -19.0 19 19 A L E S-b 89 0B 21 69,-0.7 71,-2.8 319,-0.0 72,-2.1 -0.457 84.5-174.4 -61.3 121.6 28.3 12.2 -16.8 20 20 A T E -b 91 0B 1 314,-2.6 72,-0.2 -2,-0.3 319,-0.1 -0.955 29.3-155.4-131.4 138.1 30.1 12.1 -13.4 21 21 A L E -b 92 0B 0 70,-2.0 72,-2.4 -2,-0.4 3,-0.2 -0.955 13.5-168.3-111.7 112.2 29.3 13.3 -9.8 22 22 A P E S+ 0 0 1 0, 0.0 2,-0.3 0, 0.0 270,-0.1 0.507 70.3 38.3 -84.6 -7.7 32.7 13.8 -8.0 23 23 A H E S+ 0 0 0 268,-0.2 271,-1.7 71,-0.0 270,-0.3 -0.703 74.4 120.3-149.4 97.3 31.5 14.2 -4.5 24 24 A E E -b 94 0B 0 69,-1.9 71,-3.1 -2,-0.3 2,-0.4 -0.878 49.1-128.5-141.0 169.3 28.6 12.2 -3.0 25 25 A H + 0 0 8 270,-1.2 3,-0.2 -2,-0.3 69,-0.1 -0.959 25.4 168.2-125.8 113.1 28.0 9.7 -0.2 26 26 A L S S+ 0 0 1 -2,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.902 79.7 19.4 -80.1 -49.6 26.3 6.5 -1.1 27 27 A F S S+ 0 0 5 44,-0.1 77,-0.4 69,-0.0 -1,-0.3 -0.985 78.8 137.4-128.2 116.5 27.0 4.7 2.2 28 28 A N - 0 0 7 -2,-0.5 2,-0.4 42,-0.2 44,-0.3 -0.963 31.8-153.4-151.5 161.4 27.8 6.6 5.3 29 29 A D + 0 0 49 72,-2.0 41,-0.2 -2,-0.3 3,-0.2 -0.959 15.2 175.0-146.7 116.3 26.8 6.4 9.0 30 30 A L > + 0 0 14 39,-3.2 3,-1.8 -2,-0.4 40,-0.2 -0.040 41.6 126.2-109.2 27.2 26.8 9.4 11.3 31 31 A S G > + 0 0 53 38,-0.3 3,-0.6 1,-0.3 -1,-0.1 0.662 64.5 61.8 -60.8 -20.7 25.2 7.4 14.2 32 32 A G G 3 S+ 0 0 81 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.496 107.1 44.1 -86.1 -2.7 27.9 8.3 16.6 33 33 A V G < + 0 0 30 -3,-1.8 2,-0.3 36,-0.1 -1,-0.2 -0.057 67.2 151.5-134.6 31.8 27.2 12.1 16.4 34 34 A V < - 0 0 45 -3,-0.6 30,-0.2 30,-0.1 2,-0.2 -0.525 40.8-137.2 -63.3 126.9 23.4 12.4 16.6 35 35 A D - 0 0 43 28,-2.1 3,-0.1 -2,-0.3 -2,-0.1 -0.541 15.9-103.4 -87.6 152.7 22.8 15.8 18.2 36 36 A E - 0 0 161 -2,-0.2 -1,-0.1 1,-0.1 29,-0.1 -0.429 57.9 -78.4 -65.5 148.8 20.2 16.6 20.8 37 37 A P - 0 0 50 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.307 44.5-161.7 -51.1 128.8 17.2 18.5 19.5 38 38 A F + 0 0 101 -3,-0.1 2,-0.2 4,-0.0 -2,-0.1 0.802 64.8 39.1 -86.9 -32.1 18.2 22.1 19.0 39 39 A Y S >> S- 0 0 91 1,-0.1 3,-1.0 22,-0.0 4,-0.5 -0.731 87.8-104.0-121.6 166.7 14.8 23.8 18.9 40 40 A E T 34 S+ 0 0 187 1,-0.3 3,-0.4 -2,-0.2 -1,-0.1 0.833 122.2 47.2 -58.5 -33.7 11.4 23.5 20.6 41 41 A F T >4 S+ 0 0 71 1,-0.2 3,-1.0 2,-0.1 4,-0.3 0.690 93.4 79.0 -82.2 -17.4 10.0 21.8 17.5 42 42 A S G X> S+ 0 0 0 -3,-1.0 3,-2.2 1,-0.2 4,-0.8 0.745 71.2 78.7 -67.8 -27.1 12.9 19.3 17.0 43 43 A H G >< S+ 0 0 121 -4,-0.5 3,-0.7 -3,-0.4 4,-0.4 0.832 89.2 56.8 -54.3 -36.3 11.9 16.8 19.7 44 44 A V G <4 S+ 0 0 49 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.695 103.5 55.4 -69.0 -18.7 9.3 15.3 17.4 45 45 A L G X4 S+ 0 0 0 -3,-2.2 3,-1.3 -4,-0.3 -1,-0.2 0.727 85.2 84.0 -82.1 -24.6 11.9 14.6 14.7 46 46 A V T << S+ 0 0 28 -4,-0.8 20,-1.9 -3,-0.7 21,-0.4 0.842 101.1 25.3 -57.0 -46.3 14.3 12.6 16.9 47 47 A D T 3 S+ 0 0 143 -4,-0.4 -1,-0.3 18,-0.2 2,-0.2 0.253 98.6 109.1-104.9 10.0 12.7 9.1 16.7 48 48 A K S < S- 0 0 101 -3,-1.3 19,-0.5 -4,-0.1 2,-0.3 -0.581 70.7-115.6 -88.7 149.8 10.9 9.4 13.3 49 49 A K - 0 0 150 -2,-0.2 2,-0.2 18,-0.1 5,-0.1 -0.604 43.9 -99.9 -73.2 139.5 11.8 7.7 10.1 50 50 A V + 0 0 12 -2,-0.3 2,-0.3 3,-0.1 -1,-0.1 -0.466 61.6 144.8 -63.8 129.3 12.8 10.2 7.4 51 51 A S > - 0 0 37 -2,-0.2 3,-1.8 253,-0.1 4,-0.3 -0.948 65.7 -92.6-153.3 170.1 10.0 11.0 5.0 52 52 A A G > S+ 0 0 55 251,-0.3 3,-1.5 -2,-0.3 4,-0.4 0.831 117.0 71.2 -53.6 -32.3 8.6 13.9 3.0 53 53 A D G 3 S+ 0 0 128 1,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.579 101.9 40.2 -66.9 -13.0 6.3 14.6 5.9 54 54 A I G X> S+ 0 0 10 -3,-1.8 4,-2.5 250,-0.2 3,-1.1 0.257 78.9 103.5-121.6 13.1 9.1 15.8 8.2 55 55 A Q H <> S+ 0 0 18 -3,-1.5 4,-2.0 -4,-0.3 5,-0.1 0.876 72.8 69.9 -53.8 -38.9 11.1 17.8 5.6 56 56 A W H 34 S+ 0 0 142 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.845 113.3 27.2 -48.2 -36.4 9.6 20.9 7.3 57 57 A G H X> S+ 0 0 0 -3,-1.1 3,-1.9 2,-0.1 4,-1.6 0.813 113.3 60.4 -98.0 -39.3 11.7 20.2 10.3 58 58 A L H 3< S+ 0 0 0 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.769 94.4 68.0 -64.8 -25.1 14.8 18.3 9.0 59 59 A K T 3< S+ 0 0 51 -4,-2.0 201,-3.1 -5,-0.2 -1,-0.3 0.594 113.0 30.9 -69.2 -9.0 15.6 21.4 6.9 60 60 A Y T <4 S+ 0 0 114 -3,-1.9 -2,-0.2 199,-0.2 -1,-0.2 0.556 135.6 23.1-121.4 -20.5 16.4 23.2 10.2 61 61 A D >< + 0 0 2 -4,-1.6 3,-0.8 200,-0.1 4,-0.3 -0.497 66.6 154.8-146.5 68.2 17.6 20.4 12.5 62 62 A P G > + 0 0 0 0, 0.0 3,-0.9 0, 0.0 6,-0.1 0.838 69.1 57.7 -65.7 -32.9 18.9 17.6 10.3 63 63 A Y G 3 S+ 0 0 40 1,-0.2 -28,-2.1 -27,-0.1 6,-0.1 0.508 91.6 67.0 -85.4 -5.5 21.3 16.1 12.9 64 64 A C G < S+ 0 0 0 -3,-0.8 2,-0.8 -30,-0.2 -1,-0.2 0.579 81.2 88.9 -87.8 -10.7 18.8 15.4 15.7 65 65 A C <> - 0 0 0 -3,-0.9 4,-1.1 -4,-0.3 3,-0.5 -0.780 64.0-158.4 -95.6 110.5 17.0 12.7 13.7 66 66 A C H >> S+ 0 0 52 -20,-1.9 3,-0.9 -2,-0.8 4,-0.6 0.896 91.2 51.2 -54.2 -48.0 18.6 9.3 14.3 67 67 A D H >4 S+ 0 0 20 -19,-0.5 3,-0.9 -21,-0.4 -1,-0.2 0.868 105.5 57.0 -60.4 -36.1 17.2 7.7 11.1 68 68 A N H 34 S+ 0 0 0 -3,-0.5 230,-1.3 -20,-0.3 -1,-0.3 0.812 113.3 40.8 -62.2 -28.6 18.6 10.6 9.0 69 69 A M H << S+ 0 0 2 -4,-1.1 -39,-3.2 -3,-0.9 -38,-0.3 0.386 99.2 100.0 -99.8 -4.0 22.0 9.9 10.4 70 70 A D S << S- 0 0 62 -3,-0.9 -42,-0.2 -4,-0.6 228,-0.1 -0.209 85.2 -64.7 -87.7 172.5 21.9 6.1 10.2 71 71 A K - 0 0 122 -42,-0.1 -1,-0.2 1,-0.1 -42,-0.1 -0.137 52.7-116.9 -54.2 151.3 23.3 3.6 7.6 72 72 A K - 0 0 8 -44,-0.3 -1,-0.1 -3,-0.1 2,-0.1 -0.838 23.6-128.5-100.4 115.4 21.8 3.8 4.1 73 73 A P >> - 0 0 40 0, 0.0 4,-2.2 0, 0.0 3,-0.6 -0.388 14.9-129.3 -63.0 137.5 20.0 0.7 2.9 74 74 A I H 3> S+ 0 0 31 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.851 106.9 58.6 -55.6 -37.9 21.2 -0.6 -0.5 75 75 A E H 3> S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.895 108.6 45.6 -57.6 -42.7 17.6 -0.7 -1.9 76 76 A D H <> S+ 0 0 38 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.914 112.9 49.5 -68.4 -44.3 17.2 3.0 -1.1 77 77 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 111.9 47.8 -60.4 -45.9 20.6 3.9 -2.6 78 78 A I H X S+ 0 0 36 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.919 110.2 52.9 -63.1 -42.5 19.9 1.9 -5.8 79 79 A F H X S+ 0 0 111 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.934 113.2 43.7 -57.6 -44.6 16.5 3.5 -6.2 80 80 A E H >X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 3,-0.8 0.877 110.0 55.6 -70.0 -36.3 18.1 7.0 -5.9 81 81 A L H >X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 3,-0.5 0.812 95.2 67.5 -66.3 -29.7 20.9 6.1 -8.2 82 82 A N H 3X S+ 0 0 56 -4,-1.8 4,-2.7 1,-0.2 -1,-0.2 0.849 93.4 59.2 -62.2 -29.9 18.4 5.1 -10.9 83 83 A N H S+ 0 0 0 -4,-0.8 5,-2.5 -3,-0.5 3,-1.1 0.927 113.0 52.1 -71.8 -45.6 21.0 9.6 -12.1 85 85 A K H ><5S+ 0 0 96 -4,-2.8 3,-2.2 1,-0.3 -2,-0.2 0.905 102.8 59.5 -60.7 -40.8 21.4 6.7 -14.4 86 86 A E H 3<5S+ 0 0 149 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.745 102.8 52.8 -58.9 -25.5 18.2 7.6 -16.3 87 87 A L T <<5S- 0 0 69 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.317 133.2 -90.0 -91.7 2.9 19.7 11.0 -17.2 88 88 A G T < 5 + 0 0 29 -3,-2.2 -69,-0.7 1,-0.3 -3,-0.2 0.544 68.8 166.6 95.7 11.4 22.8 9.3 -18.6 89 89 A G E < +b 19 0B 2 -5,-2.5 -1,-0.3 1,-0.2 -69,-0.2 -0.386 4.7 165.9 -59.5 133.2 24.7 9.3 -15.3 90 90 A K E + 0 0 114 -71,-2.8 28,-3.2 1,-0.3 2,-0.4 0.641 54.3 35.1-122.2 -28.4 27.7 7.0 -15.7 91 91 A T E +bc 20 118B 0 -72,-2.1 -70,-2.0 26,-0.2 2,-0.4 -0.997 53.4 179.4-139.8 136.8 30.1 7.6 -12.8 92 92 A I E -bc 21 119B 0 26,-2.8 28,-2.5 -2,-0.4 2,-0.5 -0.998 16.7-145.4-138.6 138.3 29.7 8.5 -9.1 93 93 A V E - c 0 120B 0 -72,-2.4 -69,-1.9 -2,-0.4 2,-0.7 -0.923 5.1-151.7-106.2 123.3 32.3 9.1 -6.4 94 94 A D E -b 24 0B 0 26,-3.2 -69,-0.2 -2,-0.5 28,-0.2 -0.869 8.2-167.3 -89.9 114.6 31.6 8.1 -2.8 95 95 A A + 0 0 0 -71,-3.1 2,-1.5 -2,-0.7 -70,-0.1 0.149 48.8 121.3 -92.1 18.7 33.7 10.5 -0.7 96 96 A T + 0 0 0 -72,-0.2 26,-0.4 1,-0.2 70,-0.2 -0.653 35.7 169.9 -82.9 89.8 33.3 8.5 2.5 97 97 A G + 0 0 2 -2,-1.5 27,-2.2 69,-0.2 2,-0.3 0.467 47.5 46.9 -89.1 -3.0 37.0 8.0 3.0 98 98 A S S > >S- 0 0 2 25,-0.2 5,-1.8 1,-0.1 3,-1.3 -0.963 71.9-124.9-142.4 150.8 37.1 6.5 6.5 99 99 A S G > 5S+ 0 0 68 -2,-0.3 3,-1.5 1,-0.2 -1,-0.1 0.746 105.8 76.0 -61.5 -23.0 35.6 4.0 8.8 100 100 A S G 3 5S+ 0 0 31 1,-0.3 -1,-0.2 2,-0.1 25,-0.0 0.756 104.0 35.6 -64.6 -21.2 34.9 6.9 11.1 101 101 A I G < 5S- 0 0 10 -3,-1.3 -72,-2.0 -70,-0.1 -1,-0.3 0.090 126.8 -94.7-119.4 19.2 32.1 8.0 8.9 102 102 A G T < 5 - 0 0 25 -3,-1.5 -3,-0.2 -74,-0.3 -2,-0.1 0.773 47.6-171.4 84.0 29.2 30.8 4.6 7.9 103 103 A R < - 0 0 18 -5,-1.8 2,-0.4 1,-0.1 -1,-0.2 -0.270 3.5-164.9 -50.6 135.7 32.6 3.8 4.6 104 104 A D > + 0 0 37 -77,-0.4 4,-2.0 1,-0.1 5,-0.1 -0.730 14.7 173.1-129.9 83.4 31.0 0.5 3.2 105 105 A I H > S+ 0 0 1 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.852 78.0 54.7 -64.0 -35.1 33.3 -0.8 0.4 106 106 A R H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.927 109.8 45.9 -68.1 -41.7 31.4 -4.0 -0.0 107 107 A K H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.858 107.8 57.8 -67.2 -34.1 28.1 -2.3 -0.6 108 108 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.937 109.0 46.0 -59.1 -46.8 29.8 0.2 -3.0 109 109 A K H X S+ 0 0 72 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.909 110.2 53.9 -60.2 -43.9 30.9 -2.8 -5.1 110 110 A Q H X S+ 0 0 78 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.911 109.4 48.2 -58.2 -43.8 27.4 -4.4 -4.9 111 111 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 6,-0.4 0.913 109.7 51.7 -64.1 -43.9 25.8 -1.2 -6.2 112 112 A A H X S+ 0 0 5 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 112.9 46.3 -56.5 -45.9 28.3 -0.9 -9.1 113 113 A E H < S+ 0 0 112 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.901 116.2 43.5 -66.0 -41.9 27.5 -4.5 -10.1 114 114 A L H < S+ 0 0 122 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.839 126.1 29.6 -74.7 -32.9 23.7 -4.1 -9.8 115 115 A T H < S- 0 0 5 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.678 91.5-131.9-103.7 -23.0 23.5 -0.8 -11.6 116 116 A G < + 0 0 62 -4,-2.3 2,-0.2 -5,-0.4 -4,-0.1 0.486 59.9 139.6 78.1 2.3 26.4 -0.8 -14.0 117 117 A I - 0 0 5 -6,-0.4 2,-0.6 -5,-0.1 -1,-0.3 -0.565 63.1-112.6 -73.8 140.9 27.3 2.7 -12.7 118 118 A N E -c 91 0B 31 -28,-3.2 -26,-2.8 -2,-0.2 2,-0.5 -0.697 38.4-164.5 -72.3 117.7 31.1 3.3 -12.3 119 119 A V E -c 92 0B 0 -2,-0.6 -111,-2.8 -28,-0.2 2,-0.5 -0.945 5.4-161.4-114.5 124.2 31.4 3.7 -8.5 120 120 A V E -c 93 0B 2 -28,-2.5 -26,-3.2 -2,-0.5 2,-0.2 -0.896 6.1-153.5-106.7 127.2 34.6 5.2 -7.1 121 121 A A - 0 0 0 -2,-0.5 41,-3.1 39,-0.5 42,-1.1 -0.575 12.1-138.5 -91.8 162.8 35.6 4.7 -3.4 122 122 A S E -d 163 0C 0 -26,-0.4 2,-0.4 39,-0.2 42,-0.2 -0.856 9.8-157.3-123.7 156.8 37.7 7.0 -1.4 123 123 A S E +d 164 0C 0 40,-2.2 42,-1.6 -2,-0.3 2,-0.2 -0.982 42.3 106.5-131.7 123.0 40.5 6.8 1.2 124 124 A G - 0 0 1 -27,-2.2 2,-0.2 -2,-0.4 -27,-0.1 -0.773 61.9-102.4 170.4 143.5 41.2 9.6 3.6 125 125 A L - 0 0 8 -2,-0.2 43,-2.5 55,-0.1 41,-0.1 -0.542 35.0-145.2 -83.6 143.2 40.8 10.6 7.2 126 126 A Y - 0 0 37 41,-0.2 42,-0.1 1,-0.2 44,-0.1 0.077 43.5 -43.5 -91.6-160.7 38.0 12.9 8.1 127 127 A I >> - 0 0 18 1,-0.1 4,-2.4 42,-0.1 3,-1.6 -0.271 54.0-111.2 -72.3 158.8 37.9 15.7 10.8 128 128 A E H 3> S+ 0 0 77 1,-0.3 4,-2.7 2,-0.2 6,-0.1 0.817 112.4 71.7 -59.7 -30.7 39.3 15.1 14.4 129 129 A K H 34 S+ 0 0 140 1,-0.2 -1,-0.3 2,-0.2 -2,-0.0 0.867 115.9 24.3 -51.1 -37.4 35.8 15.3 15.8 130 130 A F H <4 S+ 0 0 50 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.2 0.787 127.6 46.0 -95.9 -35.4 35.3 11.8 14.2 131 131 A E H >< S+ 0 0 7 -4,-2.4 3,-2.1 1,-0.2 -3,-0.2 0.748 75.4 172.4 -87.4 -28.0 38.9 10.5 13.9 132 132 A G G >< S+ 0 0 33 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 -0.254 71.0 0.1 57.4-136.1 40.2 11.3 17.4 133 133 A K G > S+ 0 0 185 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.584 114.1 85.5 -63.2 -14.7 43.7 9.9 18.0 134 134 A R G X S+ 0 0 90 -3,-2.1 3,-0.9 1,-0.3 -1,-0.3 0.811 86.5 56.7 -56.7 -27.4 43.8 8.4 14.6 135 135 A L G < S+ 0 0 1 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.577 95.6 65.0 -80.6 -11.2 45.1 11.8 13.4 136 136 A A G < S+ 0 0 83 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.402 78.8 113.1 -88.5 1.0 48.0 11.7 15.8 137 137 A D S < S- 0 0 90 -3,-0.9 -3,-0.0 -4,-0.3 5,-0.0 -0.242 85.6 -74.0 -67.9 164.3 49.6 8.6 14.1 138 138 A D > - 0 0 102 1,-0.1 4,-2.4 2,-0.0 3,-0.2 -0.319 39.5-127.7 -56.4 135.0 52.9 8.9 12.3 139 139 A I H > S+ 0 0 45 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.904 111.1 51.7 -54.1 -42.2 52.5 10.8 9.0 140 140 A D H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.884 108.7 50.9 -64.7 -37.2 54.3 8.0 7.1 141 141 A A H > S+ 0 0 49 -3,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.916 111.8 46.9 -62.8 -44.1 51.9 5.4 8.7 142 142 A M H X S+ 0 0 5 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.913 113.8 48.5 -64.3 -42.7 48.8 7.5 7.6 143 143 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.2 -2,-0.2 0.906 109.9 51.2 -65.1 -41.8 50.3 7.9 4.1 144 144 A K H X S+ 0 0 114 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.906 107.1 54.8 -62.9 -40.3 51.0 4.2 3.8 145 145 A M H X S+ 0 0 46 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.930 111.4 43.6 -57.0 -47.4 47.4 3.4 4.8 146 146 A I H X S+ 0 0 3 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.942 113.1 52.1 -65.6 -45.1 46.0 5.6 2.0 147 147 A D H X S+ 0 0 11 -4,-2.9 4,-2.0 1,-0.2 5,-0.3 0.923 110.6 48.7 -56.1 -44.4 48.5 4.2 -0.5 148 148 A D H X>S+ 0 0 43 -4,-3.0 4,-2.8 1,-0.2 5,-2.3 0.870 109.2 51.6 -66.1 -36.6 47.5 0.6 0.5 149 149 A E H <5S+ 0 0 21 -4,-2.0 12,-2.5 -5,-0.2 -1,-0.2 0.832 113.3 46.0 -70.8 -30.6 43.8 1.5 0.1 150 150 A L H <5S+ 0 0 7 -4,-2.1 -2,-0.2 10,-0.2 -1,-0.2 0.835 128.0 24.4 -74.9 -33.3 44.4 2.9 -3.4 151 151 A N H <5S+ 0 0 46 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.725 133.7 20.8-108.9 -27.4 46.6 0.0 -4.6 152 152 A I T <5S- 0 0 111 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.776 106.7 -87.7-113.3 -55.1 45.8 -3.2 -2.6 153 153 A G < - 0 0 13 -5,-2.3 2,-0.4 5,-0.1 -1,-0.2 -0.892 30.7 -84.6 156.8 173.3 42.4 -2.8 -1.1 154 154 A I S > S- 0 0 0 5,-1.6 3,-2.1 -2,-0.3 5,-0.4 -0.900 91.5 -9.5-115.3 133.5 40.1 -1.8 1.7 155 155 A D T 3 S- 0 0 83 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.811 129.5 -48.5 57.3 37.9 39.2 -3.6 4.9 156 156 A G T 3 S+ 0 0 83 1,-0.3 -1,-0.3 -3,-0.2 2,-0.1 0.404 117.0 109.2 83.3 0.1 40.8 -6.9 3.9 157 157 A T S < S- 0 0 29 -3,-2.1 -1,-0.3 2,-0.2 -51,-0.0 -0.424 77.5-122.2 -95.4 176.0 39.2 -6.9 0.5 158 158 A D S S+ 0 0 133 -5,-0.2 2,-0.6 -2,-0.1 -3,-0.1 0.149 75.5 119.2-100.0 16.0 40.8 -6.4 -2.9 159 159 A I - 0 0 10 -5,-0.4 -5,-1.6 -150,-0.0 2,-0.2 -0.748 52.4-155.6 -86.4 122.0 38.4 -3.5 -3.6 160 160 A R - 0 0 64 -2,-0.6 -39,-0.5 -153,-0.4 -10,-0.2 -0.637 11.8-121.4-104.1 154.4 40.5 -0.3 -4.1 161 161 A A - 0 0 2 -12,-2.5 -39,-0.2 -2,-0.2 -154,-0.1 -0.529 12.2-165.9 -81.6 157.8 39.8 3.4 -3.7 162 162 A G + 0 0 9 -41,-3.1 33,-0.5 -2,-0.2 2,-0.3 0.338 69.8 48.2-127.2 3.9 40.3 5.8 -6.6 163 163 A M E S-de 122 195C 1 -42,-1.1 -40,-2.2 31,-0.2 2,-0.6 -0.994 71.5-131.9-142.5 146.0 40.3 9.1 -4.8 164 164 A I E -de 123 196C 0 31,-2.8 33,-2.8 -2,-0.3 2,-0.3 -0.883 58.9 -48.3 -94.8 121.1 42.1 10.5 -1.8 165 165 A G E - 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