==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-MAR-12 4EEK . COMPND 2 MOLECULE: BETA-PHOSPHOGLUCOMUTASE-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: DEINOCOCCUS RADIODURANS; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 229 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 164 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0.4 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 . 9 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 37.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 4.8 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 1 0 0 2 0 1 3 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 3 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 . 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 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 3 A D 0 0 199 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 90.5 5.8 16.8 -0.7 2 4 A A - 0 0 63 1,-0.2 222,-0.1 222,-0.0 221,-0.1 -0.912 360.0-171.1-103.9 105.6 2.4 18.5 -0.5 3 5 A P + 0 0 40 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.845 56.3 44.9 -71.0 -34.2 -0.0 15.5 -0.7 4 6 A F + 0 0 17 219,-0.4 160,-0.2 1,-0.1 3,-0.1 -0.884 35.7 179.4-127.2 147.0 -3.4 17.4 -1.0 5 7 A D S S+ 0 0 69 158,-3.3 2,-0.3 -2,-0.3 159,-0.2 0.477 80.0 10.1-107.7 -14.7 -5.2 20.2 -2.9 6 8 A A E -a 164 0A 0 157,-1.0 159,-2.0 97,-0.1 2,-0.4 -0.991 62.7-125.0-164.4 159.6 -8.6 19.8 -1.3 7 9 A V E -ab 165 105A 0 97,-1.9 99,-1.5 -2,-0.3 2,-0.5 -0.965 15.7-160.0-116.8 131.2 -10.7 18.1 1.4 8 10 A L E -ab 166 106A 0 157,-3.3 159,-2.7 -2,-0.4 2,-0.5 -0.962 17.2-153.8-112.2 121.8 -13.8 16.1 0.7 9 11 A F E -ab 167 107A 0 97,-3.0 99,-2.7 -2,-0.5 159,-0.1 -0.814 11.8-140.3-101.2 132.0 -16.2 15.6 3.7 10 12 A D E - b 0 108A 8 157,-2.5 99,-0.2 -2,-0.5 5,-0.1 -0.393 17.1-150.4 -62.1 154.5 -18.7 13.0 4.5 11 13 A L S >>>S+ 0 0 0 97,-0.5 4,-2.5 1,-0.2 5,-2.1 0.868 70.3 64.1 -93.9 -70.0 -21.8 14.4 6.1 12 14 A D B 345S+f 16 0B 41 1,-0.3 157,-0.3 2,-0.2 5,-0.2 -0.438 121.2 1.7 -68.0 116.2 -23.4 11.9 8.5 13 15 A G T 345S+ 0 0 2 3,-3.4 176,-0.5 -2,-0.4 -1,-0.3 0.226 131.5 58.2 97.4 -13.1 -21.2 11.2 11.5 14 16 A V T <45S+ 0 0 0 -3,-1.5 -2,-0.2 2,-0.3 -3,-0.2 0.744 125.1 8.2-116.3 -49.0 -18.4 13.6 10.4 15 17 A L T <5S+ 0 0 0 -4,-2.5 73,-2.2 1,-0.3 2,-0.3 0.747 133.1 28.4-102.7 -35.8 -20.1 17.0 10.2 16 18 A V E + 0 0 5 -2,-0.7 4,-2.2 175,-0.2 5,-0.2 0.597 58.0 65.7-123.3 -34.9 -27.8 11.8 12.8 19 21 A E H > S+ 0 0 20 174,-0.2 4,-2.5 1,-0.2 5,-0.1 0.877 103.1 50.9 -65.8 -36.3 -27.2 8.0 13.4 20 22 A G H > S+ 0 0 20 173,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.906 110.6 48.7 -65.3 -41.8 -27.4 8.5 17.2 21 23 A I H > S+ 0 0 36 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.897 112.1 48.2 -62.6 -43.0 -30.7 10.3 16.9 22 24 A I H X S+ 0 0 48 -4,-2.2 4,-2.1 2,-0.2 3,-0.2 0.920 109.5 53.6 -65.4 -42.7 -32.2 7.7 14.6 23 25 A A H X S+ 0 0 2 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.912 105.7 53.9 -58.9 -43.3 -31.0 4.9 17.0 24 26 A Q H X S+ 0 0 88 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.862 106.1 52.6 -59.9 -37.5 -32.8 6.7 19.9 25 27 A V H X S+ 0 0 11 -4,-1.5 4,-2.8 -3,-0.2 5,-0.3 0.948 110.6 46.4 -63.9 -49.6 -36.1 6.7 17.9 26 28 A W H X S+ 0 0 16 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.939 112.8 52.0 -52.4 -48.7 -35.8 2.9 17.2 27 29 A Q H X S+ 0 0 48 -4,-2.7 4,-2.3 1,-0.2 10,-0.2 0.900 113.8 41.4 -61.3 -43.3 -35.0 2.3 20.9 28 30 A S H X S+ 0 0 29 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.918 113.6 50.4 -75.3 -41.2 -38.0 4.3 22.2 29 31 A V H X S+ 0 0 0 -4,-2.8 4,-0.7 1,-0.2 -2,-0.2 0.942 116.7 42.9 -62.0 -43.1 -40.6 3.0 19.7 30 32 A L H ><>S+ 0 0 1 -4,-2.5 5,-1.9 -5,-0.3 3,-1.0 0.916 111.4 54.3 -66.0 -43.7 -39.5 -0.6 20.5 31 33 A A H ><5S+ 0 0 29 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.890 104.0 55.5 -60.4 -40.5 -39.4 0.0 24.2 32 34 A E H 3<5S+ 0 0 107 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.789 108.7 49.9 -60.5 -26.4 -42.9 1.3 24.2 33 35 A R T <<5S- 0 0 52 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.227 129.2 -91.7-103.7 13.8 -43.9 -2.0 22.6 34 36 A G T < 5S+ 0 0 56 -3,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.136 92.2 108.1 107.7 -17.1 -42.2 -4.2 25.1 35 37 A L < - 0 0 27 -5,-1.9 2,-0.7 -6,-0.1 -2,-0.2 -0.852 45.9-166.0-104.9 124.0 -38.7 -4.8 23.6 36 38 A H + 0 0 143 -2,-0.6 2,-0.3 -5,-0.1 -8,-0.1 -0.877 15.5 168.0-112.2 100.1 -35.8 -3.0 25.3 37 39 A L - 0 0 14 -2,-0.7 2,-0.1 -10,-0.2 -6,-0.1 -0.821 34.5-110.8-111.4 155.2 -32.5 -3.0 23.3 38 40 A D > - 0 0 87 -2,-0.3 4,-2.0 1,-0.1 3,-0.2 -0.458 27.1-116.2 -84.7 154.0 -29.4 -1.0 23.9 39 41 A L H > S+ 0 0 69 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.768 111.7 58.5 -61.9 -28.1 -28.4 1.8 21.5 40 42 A T H > S+ 0 0 109 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 107.1 46.7 -69.8 -43.3 -25.2 0.0 20.4 41 43 A E H > S+ 0 0 38 -3,-0.2 4,-2.5 2,-0.2 5,-0.4 0.925 114.8 48.1 -58.7 -44.4 -27.1 -3.0 19.1 42 44 A I H X>S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-1.4 0.947 112.8 46.8 -63.3 -48.0 -29.6 -0.7 17.4 43 45 A A H <5S+ 0 0 9 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.937 115.6 47.1 -59.7 -44.3 -26.9 1.5 15.8 44 46 A M H <5S+ 0 0 118 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.907 129.2 17.1 -62.3 -44.9 -25.0 -1.6 14.6 45 47 A Y H <5S+ 0 0 111 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.700 126.7 41.4-109.2 -23.0 -27.9 -3.6 13.1 46 48 A F T ><5S+ 0 0 2 -4,-2.6 3,-1.3 -5,-0.4 -3,-0.2 0.834 88.2 89.0 -99.6 -39.4 -30.9 -1.3 12.5 47 49 A T T 3 - 0 0 179 -2,-0.4 4,-1.7 1,-0.1 3,-0.4 -0.356 32.2-115.3 -67.8 152.2 -34.4 -1.8 5.1 51 53 A F H > S+ 0 0 60 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.907 115.7 51.8 -60.8 -48.1 -37.5 -2.0 7.2 52 54 A D H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.852 109.1 54.2 -52.6 -35.4 -38.4 -5.6 6.2 53 55 A G H > S+ 0 0 15 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.881 105.3 51.4 -69.4 -40.3 -34.8 -6.4 7.1 54 56 A V H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.930 109.2 51.4 -60.0 -44.2 -35.3 -4.9 10.6 55 57 A L H X S+ 0 0 58 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.928 110.1 49.4 -59.0 -44.1 -38.5 -7.0 11.0 56 58 A A H X S+ 0 0 60 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.900 111.5 48.8 -60.7 -42.6 -36.5 -10.1 10.1 57 59 A Y H X>S+ 0 0 27 -4,-2.3 4,-3.3 2,-0.2 5,-0.6 0.923 110.0 51.2 -62.2 -45.2 -33.8 -9.3 12.5 58 60 A L H X5S+ 0 0 0 -4,-2.8 6,-2.1 1,-0.2 4,-1.3 0.891 115.0 43.2 -61.3 -40.3 -36.3 -8.7 15.3 59 61 A A H X5S+ 0 0 43 -4,-2.3 4,-1.4 4,-0.3 -2,-0.2 0.950 120.9 39.4 -70.6 -48.5 -37.9 -12.0 14.6 60 62 A Q H <5S+ 0 0 144 -4,-3.0 -2,-0.2 -5,-0.2 -3,-0.2 0.904 128.2 29.7 -69.9 -45.1 -34.7 -14.0 14.2 61 63 A Q H <5S+ 0 0 99 -4,-3.3 -3,-0.2 -5,-0.3 -1,-0.2 0.744 136.5 21.8 -89.8 -27.0 -32.6 -12.4 17.0 62 64 A H H < - 0 0 48 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.143 41.3 -94.2 -65.8 164.9 -47.6 -4.5 16.5 68 70 A P T > S+ 0 0 132 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.847 121.8 59.2 -52.2 -41.4 -49.5 -3.1 13.4 69 71 A D T 3> S+ 0 0 64 1,-0.2 4,-2.7 2,-0.1 5,-0.3 0.468 77.1 100.2 -69.8 -1.0 -48.8 0.6 14.2 70 72 A F H <> S+ 0 0 5 -3,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.911 82.8 43.1 -54.9 -52.9 -45.0 0.0 14.2 71 73 A L H <> S+ 0 0 69 -3,-0.7 4,-2.2 -4,-0.2 -1,-0.2 0.935 116.0 48.3 -58.4 -50.0 -44.4 1.5 10.7 72 74 A D H > S+ 0 0 97 -4,-0.4 4,-2.8 1,-0.2 -2,-0.2 0.931 113.6 45.3 -57.6 -52.3 -46.7 4.5 11.2 73 75 A V H X S+ 0 0 30 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.903 110.8 53.0 -63.5 -42.5 -45.3 5.5 14.6 74 76 A L H X S+ 0 0 4 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.951 112.3 46.0 -55.6 -49.7 -41.6 5.1 13.4 75 77 A E H X S+ 0 0 105 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.964 109.4 53.3 -61.7 -51.6 -42.3 7.4 10.5 76 78 A T H X S+ 0 0 98 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.880 117.7 39.8 -47.4 -38.2 -44.1 9.9 12.6 77 79 A R H X S+ 0 0 72 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.779 107.6 55.5 -94.0 -24.5 -41.1 10.0 14.9 78 80 A F H X S+ 0 0 42 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.910 111.1 51.7 -66.8 -38.0 -38.2 9.9 12.5 79 81 A N H >X S+ 0 0 126 -4,-2.1 3,-0.7 -5,-0.3 4,-0.5 0.962 111.9 42.9 -58.3 -58.6 -39.8 12.9 10.9 80 82 A A H >< S+ 0 0 71 -4,-1.6 3,-0.5 -5,-0.3 -1,-0.2 0.813 114.0 54.1 -56.3 -32.8 -40.1 14.8 14.2 81 83 A A H >< S+ 0 0 22 -4,-1.8 3,-2.5 1,-0.2 -1,-0.2 0.749 87.8 75.3 -77.8 -23.4 -36.6 13.7 15.2 82 84 A M H X< S+ 0 0 28 -4,-1.4 3,-1.3 -3,-0.7 -1,-0.2 0.792 86.8 64.7 -66.9 -23.3 -34.7 15.0 12.1 83 85 A T T << S+ 0 0 99 -3,-0.5 -1,-0.3 -4,-0.5 -2,-0.1 0.621 93.2 64.6 -65.1 -17.7 -35.1 18.5 13.5 84 86 A G T < + 0 0 44 -3,-2.5 -1,-0.2 -4,-0.1 -2,-0.2 0.295 69.4 129.5 -96.6 8.7 -32.9 17.5 16.4 85 87 A V < - 0 0 3 -3,-1.3 2,-0.3 -4,-0.1 -67,-0.2 -0.420 40.4-162.6 -64.1 138.3 -29.7 16.8 14.4 86 88 A T E -G 17 0B 73 -69,-0.9 -69,-3.4 -2,-0.1 2,-0.2 -0.793 23.3 -96.1-120.3 161.3 -26.6 18.6 15.8 87 89 A A E -G 16 0B 33 36,-0.3 -71,-0.3 -2,-0.3 2,-0.2 -0.556 43.7-108.9 -72.5 141.4 -23.2 19.5 14.6 88 90 A I > - 0 0 2 -73,-2.2 3,-2.2 -2,-0.2 4,-0.5 -0.501 50.5 -90.1 -62.6 137.8 -20.4 17.1 15.5 89 91 A E T 3 S+ 0 0 159 1,-0.3 124,-0.5 -2,-0.2 -1,-0.1 -0.276 112.4 11.4 -53.5 128.4 -18.2 18.7 18.1 90 92 A G T 3> S+ 0 0 26 123,-0.1 4,-2.1 122,-0.1 -1,-0.3 0.304 95.2 110.0 91.1 -14.8 -15.4 20.7 16.3 91 93 A A H <> S+ 0 0 0 -3,-2.2 4,-2.3 1,-0.2 5,-0.2 0.903 76.5 50.0 -65.8 -45.3 -16.9 20.4 12.9 92 94 A A H > S+ 0 0 28 -4,-0.5 4,-2.9 1,-0.2 -1,-0.2 0.926 110.9 52.0 -59.4 -40.7 -17.8 24.1 12.5 93 95 A E H > S+ 0 0 77 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.874 108.0 50.7 -65.5 -36.5 -14.3 25.0 13.6 94 96 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.931 113.0 45.5 -65.1 -44.1 -12.8 22.7 11.0 95 97 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.911 113.4 50.2 -66.4 -40.3 -14.9 24.3 8.2 96 98 A R H X S+ 0 0 122 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.915 110.9 49.5 -63.8 -42.7 -14.2 27.8 9.5 97 99 A A H X S+ 0 0 18 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.903 110.9 48.7 -63.0 -42.9 -10.4 27.0 9.5 98 100 A L H X>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 4,-0.5 0.902 111.9 49.5 -64.2 -40.2 -10.4 25.7 6.0 99 101 A R H ><5S+ 0 0 121 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.920 109.5 51.3 -65.5 -42.2 -12.4 28.7 4.8 100 102 A A H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.825 113.1 46.4 -64.5 -31.7 -9.9 31.1 6.5 101 103 A A H 3<5S- 0 0 56 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.479 112.0-121.2 -88.2 -5.7 -7.0 29.3 4.8 102 104 A G T <<5 + 0 0 59 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.755 54.3 159.2 71.7 26.5 -8.7 29.3 1.4 103 105 A V < - 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0 0 27 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.2 -0.902 67.6-109.9-126.9 144.8 -9.1 19.4 -8.6 160 162 A L > - 0 0 111 -2,-0.3 3,-1.9 1,-0.1 -155,-0.2 -0.535 23.7-132.2 -72.5 139.2 -7.9 15.8 -9.4 161 163 A P G > S+ 0 0 19 0, 0.0 3,-2.2 0, 0.0 22,-0.3 0.853 106.2 66.4 -62.2 -27.5 -9.4 13.2 -7.0 162 164 A E G 3 S+ 0 0 111 1,-0.3 19,-0.1 20,-0.1 -2,-0.0 0.686 99.8 51.1 -63.2 -21.2 -5.9 11.8 -6.6 163 165 A R G < S+ 0 0 79 -3,-1.9 -158,-3.3 -159,-0.1 -157,-1.0 0.197 96.3 93.3-102.9 15.5 -5.0 15.1 -4.9 164 166 A C E < -a 6 0A 0 -3,-2.2 19,-2.3 -160,-0.2 2,-0.4 -0.793 62.6-143.4-106.1 154.8 -7.9 15.0 -2.4 165 167 A V E -ad 7 183A 0 -159,-2.0 -157,-3.3 -2,-0.3 2,-0.4 -0.968 16.5-151.2-110.4 132.1 -8.3 13.7 1.1 166 168 A V E -ad 8 184A 0 17,-3.1 19,-2.9 -2,-0.4 2,-0.7 -0.892 0.5-153.7-105.5 131.2 -11.6 12.2 2.0 167 169 A I E +ad 9 185A 0 -159,-2.7 -157,-2.5 -2,-0.4 2,-0.3 -0.919 30.9 159.6-109.3 111.6 -12.8 12.4 5.6 168 170 A E E - d 0 186A 0 17,-1.7 19,-2.2 -2,-0.7 -155,-0.1 -0.929 40.5-159.8-138.3 155.7 -15.2 9.5 6.3 169 171 A D S S+ 0 0 5 -2,-0.3 27,-1.0 -157,-0.3 2,-0.3 0.226 75.8 53.4-117.7 11.0 -16.7 7.4 9.2 170 172 A S S > S- 0 0 11 25,-0.2 4,-2.7 24,-0.1 5,-0.2 -0.958 75.4-123.6-142.5 159.8 -17.8 4.3 7.3 171 173 A V H > S+ 0 0 44 -2,-0.3 4,-2.8 2,-0.2 5,-0.3 0.899 112.5 59.1 -66.3 -39.3 -16.5 1.6 5.0 172 174 A T H > S+ 0 0 66 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.951 116.6 31.2 -53.6 -53.2 -19.3 2.6 2.5 173 175 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.894 117.2 55.3 -76.0 -40.2 -18.1 6.2 2.3 174 176 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.899 107.1 52.7 -56.0 -42.6 -14.4 5.4 2.8 175 177 A A H X S+ 0 0 24 -4,-2.8 4,-3.1 1,-0.2 -1,-0.2 0.873 105.2 53.9 -61.2 -43.0 -14.5 3.0 -0.2 176 178 A A H X S+ 0 0 0 -4,-1.3 4,-1.1 -5,-0.3 -1,-0.2 0.911 110.5 47.5 -58.6 -42.0 -16.1 5.6 -2.4 177 179 A G H X>S+ 0 0 0 -4,-1.9 5,-2.0 2,-0.2 4,-0.6 0.944 115.0 44.5 -66.1 -47.6 -13.2 8.0 -1.6 178 180 A L H ><5S+ 0 0 55 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.922 111.7 52.7 -62.2 -43.5 -10.5 5.3 -2.2 179 181 A A H 3<5S+ 0 0 65 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 104.4 57.4 -64.1 -24.1 -12.2 4.1 -5.4 180 182 A A H 3<5S- 0 0 8 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.605 123.8-106.2 -79.3 -13.2 -12.2 7.7 -6.7 181 183 A G T <<5S+ 0 0 35 -3,-1.5 -3,-0.2 -4,-0.6 -2,-0.1 0.392 77.5 131.7 101.7 2.2 -8.4 7.7 -6.3 182 184 A A < - 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0 0 36 0, 0.0 -174,-0.2 0, 0.0 -173,-0.2 -0.478 29.0-169.0 -77.0 151.7 -22.2 6.0 16.6 194 196 A H - 0 0 32 -2,-0.1 -24,-0.1 -175,-0.1 -181,-0.1 -0.948 31.4-118.8-133.4 154.0 -20.5 5.2 13.2 195 197 A P S S+ 0 0 61 0, 0.0 2,-0.3 0, 0.0 -25,-0.2 0.738 94.1 17.5 -72.2 -19.7 -21.3 2.5 10.8 196 198 A D S S- 0 0 58 -27,-1.0 2,-0.1 -25,-0.0 -2,-0.0 -0.929 78.2-116.1-140.2 167.7 -17.8 0.8 11.1 197 199 A G > - 0 0 38 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.418 32.9 -95.4-103.4-179.2 -14.9 0.8 13.4 198 200 A A H > S+ 0 0 49 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 119.6 53.5 -62.1 -43.3 -11.2 1.8 13.3 199 201 A A H > S+ 0 0 53 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.931 110.4 48.2 -58.3 -43.0 -9.9 -1.7 12.6 200 202 A A H > S+ 0 0 37 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.899 112.5 48.0 -64.0 -43.4 -12.2 -2.0 9.5 201 203 A L H X>S+ 0 0 1 -4,-2.2 5,-2.7 2,-0.2 4,-1.3 0.911 113.7 47.5 -66.0 -39.0 -11.3 1.5 8.2 202 204 A S H <5S+ 0 0 66 -4,-2.6 3,-0.4 -5,-0.2 -2,-0.2 0.949 113.5 46.7 -66.5 -46.1 -7.6 0.8 8.6 203 205 A R H <5S+ 0 0 208 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.890 107.1 58.6 -62.0 -37.1 -7.9 -2.6 6.9 204 206 A L H <5S- 0 0 60 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.845 131.3 -92.2 -58.6 -36.8 -9.9 -1.0 4.1 205 207 A G T <5 + 0 0 40 -4,-1.3 -21,-0.4 -3,-0.4 -3,-0.2 0.497 64.8 161.7 131.7 13.9 -6.9 1.3 3.5 206 208 A A < - 0 0 13 -5,-2.7 -21,-0.2 1,-0.2 -1,-0.2 -0.406 35.4-144.8 -58.0 133.2 -7.4 4.5 5.5 207 209 A A S S- 0 0 71 -23,-2.8 2,-0.3 1,-0.2 -22,-0.2 0.782 82.5 -1.4 -74.1 -25.8 -4.0 6.2 5.8 208 210 A R E -e 185 0A 84 -24,-0.9 -22,-2.6 -7,-0.1 2,-0.5 -0.987 60.2-140.4-155.2 161.8 -5.1 7.2 9.2 209 211 A V E -e 186 0A 34 -2,-0.3 -22,-0.2 -24,-0.2 2,-0.2 -0.954 25.8-168.7-124.4 110.0 -7.9 7.0 11.6 210 212 A L E -e 187 0A 1 -24,-3.1 -22,-2.9 -2,-0.5 3,-0.1 -0.576 15.4-159.0 -96.5 156.4 -8.5 10.2 13.6 211 213 A T + 0 0 75 -24,-0.2 2,-0.3 -2,-0.2 -24,-0.1 0.366 68.3 28.8-122.0 7.5 -10.8 10.6 16.6 212 214 A S S > S- 0 0 41 -23,-0.1 4,-1.8 1,-0.1 -1,-0.2 -0.983 70.5-118.4-158.6 159.3 -11.5 14.3 16.8 213 215 A H H > S+ 0 0 3 -124,-0.5 4,-2.6 -2,-0.3 5,-0.2 0.834 117.2 59.4 -68.8 -29.5 -11.8 17.4 14.7 214 216 A A H > S+ 0 0 59 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.952 107.2 45.3 -61.3 -45.7 -8.9 18.8 16.7 215 217 A E H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.869 111.1 54.2 -62.9 -37.0 -6.8 15.9 15.5 216 218 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.945 108.4 47.7 -62.5 -46.3 -8.1 16.4 12.0 217 219 A R H X S+ 0 0 58 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.908 111.3 51.8 -63.4 -39.7 -7.0 20.0 11.9 218 220 A A H X S+ 0 0 59 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.919 111.8 46.5 -61.9 -41.5 -3.6 19.0 13.3 219 221 A A H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.880 109.7 53.0 -65.6 -38.9 -3.2 16.4 10.6 220 222 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 6,-0.7 0.860 108.5 51.7 -66.5 -34.4 -4.3 18.9 7.9 221 223 A A H ><5S+ 0 0 10 -4,-2.1 3,-1.9 4,-0.2 -2,-0.2 0.906 106.3 52.9 -66.8 -43.2 -1.7 21.3 9.2 222 224 A E H 3<5S+ 0 0 152 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.859 106.2 54.9 -58.8 -34.4 1.0 18.6 8.9 223 225 A A T 3<5S- 0 0 16 -4,-1.7 -219,-0.4 -5,-0.1 -1,-0.3 0.398 122.3-109.2 -80.2 3.6 -0.1 18.1 5.3 224 226 A G T < 5S+ 0 0 66 -3,-1.9 -3,-0.2 2,-0.2 -2,-0.1 0.631 93.0 105.6 85.4 13.8 0.5 21.9 4.7 225 227 A L S