==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUL-04 1U24 . COMPND 2 MOLECULE: MYO-INOSITOL HEXAPHOSPHATE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SELENOMONAS RUMINANTIUM; . AUTHOR H.M.CHU,R.T.GUO,T.W.LIN,C.C.CHOU,H.L.SHR,H.L.LAI,T.Y.TANG, . 628 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29908.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 7.3 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 36 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 169 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 0 0 2 0 2 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 4 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 4 0 6 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 0 0 2 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 23 A T 0 0 189 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 114.7 -25.5 1.7 32.7 2 24 A V - 0 0 118 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.909 360.0-153.9-104.9 132.6 -23.5 -0.1 30.1 3 25 A T S S+ 0 0 119 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.904 81.3 12.9 -74.6 -45.1 -22.7 -3.7 31.1 4 26 A E S S- 0 0 55 8,-0.0 -1,-0.3 6,-0.0 3,-0.1 -0.926 77.7-145.7-138.1 112.1 -19.4 -4.2 29.1 5 27 A P > - 0 0 60 0, 0.0 3,-2.4 0, 0.0 307,-0.1 -0.237 41.4 -76.6 -70.4 162.5 -17.6 -1.2 27.6 6 28 A V T 3 S+ 0 0 25 305,-0.4 305,-0.3 1,-0.3 272,-0.0 -0.294 124.1 40.2 -54.7 143.9 -15.7 -1.4 24.3 7 29 A G T 3 S+ 0 0 6 -3,-0.1 -1,-0.3 303,-0.1 3,-0.1 0.104 108.9 64.8 99.0 -23.4 -12.4 -3.1 25.0 8 30 A S X + 0 0 25 -3,-2.4 3,-1.5 1,-0.1 4,-0.2 -0.032 57.1 126.6-121.6 31.3 -14.1 -5.7 27.3 9 31 A Y G > + 0 0 55 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.869 67.5 62.4 -56.0 -41.9 -16.4 -7.6 24.9 10 32 A A G > S+ 0 0 17 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.642 83.7 79.0 -61.9 -14.9 -15.1 -11.1 25.8 11 33 A R G < S+ 0 0 175 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.711 84.4 64.5 -66.9 -18.0 -16.3 -10.6 29.4 12 34 A A G < S+ 0 0 77 -3,-2.0 -1,-0.3 -4,-0.2 2,-0.2 0.559 83.1 93.2 -82.2 -8.2 -19.8 -11.4 28.1 13 35 A E S < S- 0 0 52 -3,-1.5 -3,-0.0 -4,-0.1 0, 0.0 -0.532 79.3-119.1 -84.6 154.4 -18.9 -15.0 27.1 14 36 A R > - 0 0 136 -2,-0.2 3,-2.0 1,-0.1 4,-0.1 -0.833 12.6-153.5 -97.2 114.3 -19.4 -18.0 29.6 15 37 A P G > S+ 0 0 49 0, 0.0 3,-2.4 0, 0.0 109,-0.2 0.838 89.6 68.2 -51.9 -39.8 -16.2 -19.8 30.5 16 38 A Q G 3 S+ 0 0 109 1,-0.3 3,-0.4 2,-0.2 106,-0.0 0.613 92.2 62.8 -58.9 -11.7 -18.0 -23.1 31.3 17 39 A D G < S+ 0 0 84 -3,-2.0 -1,-0.3 1,-0.2 101,-0.1 0.374 105.9 43.3 -94.2 1.8 -18.8 -23.4 27.6 18 40 A F S < S+ 0 0 16 -3,-2.4 -1,-0.2 103,-0.2 106,-0.2 0.012 74.8 154.6-136.4 34.3 -15.1 -23.7 26.5 19 41 A E - 0 0 116 -3,-0.4 99,-0.5 98,-0.1 103,-0.1 -0.272 50.6 -95.1 -67.3 149.5 -13.4 -26.0 29.0 20 42 A G + 0 0 19 102,-0.3 97,-0.3 97,-0.2 -1,-0.1 -0.279 43.8 167.3 -63.5 148.7 -10.2 -27.9 27.9 21 43 A F + 0 0 85 95,-2.7 2,-0.3 1,-0.3 96,-0.2 0.442 56.3 30.0-141.0 -5.9 -10.5 -31.4 26.6 22 44 A V E S-A 116 0A 9 94,-1.0 94,-2.9 92,-0.1 2,-0.9 -0.998 71.5-111.8-157.5 152.2 -7.2 -32.5 25.0 23 45 A W E -Ab 115 149A 23 125,-0.9 127,-2.2 -2,-0.3 2,-0.3 -0.797 43.2-150.2 -84.9 106.8 -3.4 -31.9 25.1 24 46 A R E -Ab 114 150A 41 90,-3.1 90,-1.3 -2,-0.9 2,-0.6 -0.593 13.5-121.1 -81.2 138.4 -2.9 -30.1 21.8 25 47 A L E -A 113 0A 43 125,-2.3 127,-0.3 -2,-0.3 88,-0.2 -0.692 25.1-169.5 -77.5 118.4 0.5 -30.5 19.9 26 48 A D - 0 0 20 86,-2.6 2,-0.3 -2,-0.6 48,-0.2 0.741 69.2 -1.7 -84.3 -23.0 1.9 -26.9 19.7 27 49 A N - 0 0 25 85,-0.6 -1,-0.3 48,-0.1 48,-0.1 -0.894 54.9-145.7-162.9 134.4 4.9 -27.7 17.2 28 50 A D - 0 0 96 -2,-0.3 47,-0.0 -3,-0.1 -2,-0.0 0.540 40.1-126.0 -83.8 -3.4 6.0 -31.0 15.7 29 51 A G S S+ 0 0 35 1,-0.1 -1,-0.0 4,-0.1 46,-0.0 0.700 70.3 124.5 73.4 20.9 9.7 -30.0 15.8 30 52 A K + 0 0 159 3,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.888 63.2 61.7 -80.5 -35.9 10.7 -30.6 12.1 31 53 A E S S- 0 0 114 2,-0.1 4,-0.0 1,-0.1 48,-0.0 -0.487 81.6-125.6 -90.3 158.1 12.0 -27.0 11.5 32 54 A A S S+ 0 0 57 -2,-0.2 50,-0.2 2,-0.0 51,-0.1 0.778 92.6 34.1 -72.0 -26.3 15.0 -25.3 13.2 33 55 A L S S- 0 0 44 49,-0.1 -2,-0.1 1,-0.1 47,-0.1 -0.861 89.3 -98.8-127.8 162.2 12.9 -22.3 14.2 34 56 A P > - 0 0 2 0, 0.0 3,-0.7 0, 0.0 41,-0.1 -0.267 53.5 -91.6 -69.5 165.4 9.3 -21.5 15.3 35 57 A R T 3 S+ 0 0 125 39,-0.4 38,-1.9 1,-0.2 0, 0.0 -0.354 106.5 24.9 -75.7 161.4 6.9 -20.2 12.6 36 58 A N T 3 S+ 0 0 73 36,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.700 76.4 172.2 57.7 24.5 6.5 -16.5 12.1 37 59 A F < + 0 0 41 -3,-0.7 2,-0.3 35,-0.1 35,-0.2 -0.486 11.4 162.6 -66.0 124.8 9.9 -15.6 13.6 38 60 A R E -F 71 0B 4 33,-2.2 33,-2.6 -2,-0.3 2,-0.3 -1.000 23.1-157.3-151.0 148.7 10.5 -11.9 13.0 39 61 A T E > -F 70 0B 0 -2,-0.3 3,-1.6 31,-0.2 31,-0.2 -0.868 29.3-125.6-126.0 152.9 12.7 -9.0 14.2 40 62 A S T 3 S+ 0 0 2 29,-2.1 27,-0.2 -2,-0.3 30,-0.1 0.394 112.3 62.5 -75.6 4.1 12.7 -5.2 14.3 41 63 A A T 3 S+ 0 0 50 28,-0.2 -1,-0.3 2,-0.1 24,-0.1 0.389 86.6 112.0-103.7 0.3 16.0 -5.2 12.5 42 64 A D S < S- 0 0 48 -3,-1.6 2,-0.2 1,-0.1 -4,-0.0 -0.259 73.9-105.8 -76.2 158.6 14.3 -6.9 9.5 43 65 A A - 0 0 75 210,-0.1 2,-0.2 1,-0.1 -1,-0.1 -0.563 39.0-112.4 -80.0 146.2 13.7 -5.5 6.0 44 66 A L - 0 0 48 -2,-0.2 2,-0.2 15,-0.1 209,-0.2 -0.560 34.3-162.3 -81.8 144.9 10.1 -4.6 5.2 45 67 A R - 0 0 144 207,-2.3 209,-0.1 -2,-0.2 -1,-0.0 -0.609 33.8 -65.3-117.8 179.1 8.3 -6.6 2.6 46 68 A A - 0 0 76 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.386 57.8-108.5 -66.9 138.3 5.1 -6.2 0.4 47 69 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.226 36.7 -98.7 -66.6 157.8 1.8 -5.9 2.4 48 70 A E > - 0 0 96 1,-0.1 3,-1.3 3,-0.0 5,-0.4 -0.590 28.6-128.2 -76.4 141.7 -0.7 -8.8 2.2 49 71 A K G > S+ 0 0 198 -2,-0.3 3,-2.8 1,-0.2 -1,-0.1 0.864 99.9 68.9 -58.0 -42.3 -3.5 -8.2 -0.3 50 72 A K G 3 S+ 0 0 122 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.692 95.3 57.6 -52.0 -22.0 -6.4 -8.9 2.0 51 73 A F G < S- 0 0 1 -3,-1.3 -1,-0.3 210,-0.1 -2,-0.2 0.508 99.0-138.0 -88.9 -4.1 -5.6 -5.7 4.0 52 74 A H < + 0 0 144 -3,-2.8 2,-0.2 -4,-0.2 -3,-0.1 0.899 43.8 158.9 46.5 56.6 -5.9 -3.5 0.9 53 75 A L - 0 0 34 -5,-0.4 2,-0.9 -4,-0.1 -1,-0.1 -0.506 50.9 -93.8-103.0 171.3 -2.9 -1.3 1.6 54 76 A D > - 0 0 49 -2,-0.2 3,-1.1 1,-0.2 525,-0.0 -0.764 31.2-168.0 -86.1 103.5 -0.7 1.0 -0.6 55 77 A A T 3 S+ 0 0 42 -2,-0.9 -1,-0.2 1,-0.2 524,-0.1 0.707 84.5 59.8 -66.8 -17.7 2.2 -1.2 -1.7 56 78 A A T 3 S+ 0 0 14 522,-0.2 -1,-0.2 520,-0.1 2,-0.1 0.683 80.0 107.0 -84.7 -16.7 4.0 1.9 -3.0 57 79 A Y < - 0 0 51 -3,-1.1 -4,-0.0 1,-0.1 522,-0.0 -0.383 59.8-150.5 -65.1 134.1 4.1 3.6 0.4 58 80 A V - 0 0 54 -2,-0.1 3,-0.1 309,-0.0 -1,-0.1 -0.909 16.3-143.3-109.4 105.8 7.5 3.7 2.1 59 81 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 -15,-0.1 -0.273 24.5-100.6 -65.7 152.1 7.1 3.7 5.9 60 82 A S - 0 0 38 1,-0.1 189,-0.1 182,-0.1 181,-0.0 -0.520 24.4-160.6 -71.1 141.4 9.4 5.7 8.1 61 83 A R > + 0 0 76 -2,-0.2 3,-2.1 -3,-0.1 4,-0.4 0.262 40.6 142.2-105.2 9.5 12.1 3.5 9.7 62 84 A E T 3 S+ 0 0 106 1,-0.3 179,-0.1 2,-0.1 -2,-0.1 -0.319 72.6 8.5 -56.7 119.6 12.9 6.1 12.4 63 85 A G T 3 S+ 0 0 24 -2,-0.2 4,-0.4 174,-0.0 -1,-0.3 0.306 94.5 110.7 94.1 -7.0 13.6 4.3 15.7 64 86 A X S X> S+ 0 0 0 -3,-2.1 3,-1.0 1,-0.2 4,-0.7 0.878 71.1 55.3 -70.9 -38.7 13.7 0.7 14.5 65 87 A D T 34 S+ 0 0 138 -4,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.813 115.1 42.5 -62.2 -29.0 17.4 -0.0 15.0 66 88 A A T 34 S+ 0 0 51 -3,-0.2 -1,-0.3 1,-0.1 -2,-0.2 0.462 93.7 83.9 -95.6 -4.2 17.0 1.0 18.6 67 89 A L T <4 - 0 0 3 -3,-1.0 -2,-0.2 -4,-0.4 -1,-0.1 0.907 67.9-166.3 -65.1 -46.8 13.7 -0.8 19.2 68 90 A H < + 0 0 50 -4,-0.7 147,-1.9 1,-0.2 2,-0.3 0.957 33.6 129.9 56.9 63.3 15.2 -4.3 19.9 69 91 A I E + g 0 215B 1 145,-0.2 -29,-2.1 147,-0.0 2,-0.3 -0.980 28.3 178.2-141.8 154.2 12.1 -6.6 19.8 70 92 A S E -Fg 39 216B 0 145,-2.4 147,-2.4 -2,-0.3 2,-0.3 -0.934 7.4-158.2-146.0 170.2 11.1 -9.9 18.0 71 93 A G E +Fg 38 217B 0 -33,-2.6 -33,-2.2 -2,-0.3 2,-0.3 -0.986 15.1 152.8-151.2 160.6 8.2 -12.3 17.8 72 94 A S E - g 0 218B 0 145,-1.2 147,-1.2 -2,-0.3 -36,-0.2 -0.974 36.9-100.2-169.4 177.2 7.2 -15.8 16.9 73 95 A S - 0 0 5 -38,-1.9 147,-0.2 -2,-0.3 148,-0.2 -0.258 67.1 -45.2 -95.4-169.1 4.7 -18.6 17.6 74 96 A A - 0 0 4 146,-2.3 -39,-0.4 -48,-0.2 2,-0.3 -0.158 61.1-166.6 -62.7 154.0 5.1 -21.7 19.9 75 97 A F - 0 0 2 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.894 23.3-115.3-141.1 164.4 8.3 -23.8 20.0 76 98 A T > - 0 0 20 -2,-0.3 4,-1.9 1,-0.1 5,-0.2 -0.451 48.7 -99.2 -87.9 169.6 10.1 -27.0 21.1 77 99 A P H > S+ 0 0 36 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.909 124.9 48.9 -61.0 -36.1 12.9 -26.7 23.6 78 100 A A H > S+ 0 0 64 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.854 107.7 54.8 -72.6 -32.0 15.6 -27.0 20.8 79 101 A Q H > S+ 0 0 3 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.882 104.9 53.8 -65.7 -38.5 13.8 -24.3 18.7 80 102 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.930 106.3 53.2 -61.1 -45.1 13.9 -21.9 21.6 81 103 A K H X S+ 0 0 102 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.892 107.5 50.4 -57.0 -42.1 17.7 -22.4 21.9 82 104 A N H X S+ 0 0 73 -4,-1.7 4,-1.8 -50,-0.2 -1,-0.2 0.879 111.1 49.0 -65.2 -35.8 18.1 -21.6 18.2 83 105 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.935 110.4 51.1 -66.9 -46.0 16.1 -18.4 18.7 84 106 A A H X S+ 0 0 7 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.876 111.6 46.6 -59.6 -39.7 18.2 -17.4 21.7 85 107 A A H X S+ 0 0 53 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.853 111.9 51.6 -69.9 -37.2 21.5 -17.9 19.8 86 108 A K H < S+ 0 0 92 -4,-1.8 3,-0.5 -5,-0.2 4,-0.4 0.936 111.6 46.2 -64.8 -46.4 20.2 -15.9 16.8 87 109 A L H >X S+ 0 0 0 -4,-2.7 3,-1.2 1,-0.2 4,-0.8 0.825 103.6 64.0 -67.3 -30.8 19.2 -13.0 19.1 88 110 A R H >< S+ 0 0 114 -4,-1.6 3,-0.6 1,-0.3 -1,-0.2 0.859 94.6 60.5 -61.0 -34.8 22.6 -13.1 20.9 89 111 A E T 3< S+ 0 0 171 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.715 108.3 45.6 -65.3 -19.3 24.3 -12.2 17.6 90 112 A K T <4 S+ 0 0 96 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 0.578 118.7 21.2-100.6 -12.6 22.3 -8.9 17.6 91 113 A T << - 0 0 25 -4,-0.8 -1,-0.2 -3,-0.6 4,-0.1 -0.996 42.3-155.0-155.5 160.6 22.6 -7.7 21.2 92 114 A A S S+ 0 0 96 -2,-0.3 -4,-0.1 120,-0.1 120,-0.1 0.162 73.1 92.4-117.4 8.3 24.6 -7.9 24.5 93 115 A G S S- 0 0 4 119,-0.3 2,-0.2 1,-0.1 120,-0.1 -0.379 93.4 -67.7 -95.0 179.1 21.8 -6.9 26.8 94 116 A P - 0 0 26 0, 0.0 120,-2.6 0, 0.0 2,-0.5 -0.515 46.9-142.3 -70.7 138.6 19.4 -9.3 28.6 95 117 A I E -h 214 0B 7 85,-0.3 87,-2.5 -2,-0.2 2,-0.4 -0.869 14.4-154.8-101.9 123.4 17.1 -11.2 26.3 96 118 A Y E -hi 215 182B 24 118,-3.0 120,-2.8 -2,-0.5 2,-0.8 -0.816 14.1-149.3-102.1 136.9 13.4 -11.8 27.6 97 119 A D E -hi 216 183B 0 85,-2.8 87,-1.9 -2,-0.4 2,-0.9 -0.923 21.1-162.6 -96.6 103.8 11.0 -14.6 26.6 98 120 A V E -hi 217 184B 0 118,-2.8 120,-1.6 -2,-0.8 2,-0.8 -0.820 3.5-157.4 -96.9 99.3 7.7 -12.7 27.0 99 121 A D E +hi 218 185B 0 85,-1.8 87,-2.9 -2,-0.9 120,-0.1 -0.690 14.7 179.8 -81.5 105.2 5.0 -15.5 27.2 100 122 A L E + 0 0 0 118,-2.2 88,-1.0 -2,-0.8 2,-0.5 0.267 38.9 120.4 -92.3 15.4 1.7 -14.0 26.2 101 123 A R E - i 0 188B 4 117,-0.2 88,-0.2 86,-0.2 4,-0.1 -0.662 37.5-177.9 -92.1 123.6 -0.4 -17.2 26.5 102 124 A Q + 0 0 16 86,-1.7 -1,-0.2 -2,-0.5 87,-0.1 0.857 64.5 90.7 -78.3 -34.4 -3.4 -17.4 28.9 103 125 A E S S- 0 0 3 85,-0.3 2,-0.3 17,-0.2 13,-0.1 -0.265 92.2-101.5 -62.3 145.0 -4.0 -21.0 28.0 104 126 A S + 0 0 2 11,-0.3 11,-2.4 10,-0.0 2,-0.3 -0.522 56.3 159.7 -70.8 128.7 -2.1 -23.7 30.2 105 127 A H E +C 114 0A 3 -2,-0.3 67,-0.4 9,-0.2 2,-0.3 -0.945 7.6 129.3-146.4 166.5 0.9 -25.0 28.5 106 128 A G E -C 113 0A 1 7,-2.4 7,-2.2 -2,-0.3 2,-0.4 -0.934 50.7 -63.8 178.9-154.7 4.2 -26.8 29.0 107 129 A Y E -CD 112 170A 8 63,-2.4 63,-2.3 -2,-0.3 2,-0.5 -0.992 27.6-170.1-132.6 127.5 6.4 -29.7 28.0 108 130 A L E > S-CD 111 169A 0 3,-2.1 3,-2.5 -2,-0.4 61,-0.2 -0.974 87.6 -18.4-115.1 115.4 5.7 -33.4 28.3 109 131 A D T 3 S- 0 0 35 59,-2.8 -1,-0.2 -2,-0.5 60,-0.1 0.889 131.1 -53.5 51.5 38.2 8.8 -35.6 27.6 110 132 A G T 3 S+ 0 0 22 1,-0.2 -1,-0.3 58,-0.2 59,-0.1 0.412 111.0 128.4 79.6 -2.6 10.1 -32.4 25.8 111 133 A I E < - 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0 0 150 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.522 40.9-104.0 -78.2 152.3 1.4 12.7 -8.0 582 289 B D G > S+ 0 0 128 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.831 120.1 46.4 -43.1 -50.9 -2.0 13.9 -9.2 583 290 B K G 3 S+ 0 0 145 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.591 114.3 50.3 -74.7 -8.8 -0.7 16.2 -12.0 584 291 B D G X S+ 0 0 42 -3,-2.1 3,-2.2 1,-0.1 4,-0.3 0.254 72.3 110.5-109.9 11.3 1.6 13.4 -13.2 585 292 B S G X + 0 0 74 -3,-1.3 3,-1.2 -4,-0.3 4,-0.4 0.741 64.1 74.9 -59.7 -21.5 -1.0 10.6 -13.4 586 293 B W G 3 S+ 0 0 53 1,-0.2 4,-0.4 -3,-0.2 3,-0.3 0.775 87.1 65.6 -61.2 -20.8 -0.7 10.6 -17.2 587 294 B K G <> S+ 0 0 44 -3,-2.2 4,-1.7 1,-0.2 3,-0.4 0.729 77.9 85.6 -73.0 -23.2 2.7 8.8 -16.7 588 295 B T H <> S+ 0 0 44 -3,-1.2 4,-2.0 -4,-0.3 3,-0.3 0.867 87.8 45.0 -46.8 -56.7 1.3 5.6 -15.2 589 296 B K H > S+ 0 0 88 -4,-0.4 4,-2.5 -3,-0.3 -1,-0.2 0.851 111.4 57.2 -62.6 -30.7 0.5 3.6 -18.4 590 297 B Y H > S+ 0 0 3 -4,-0.4 4,-1.6 -3,-0.4 -1,-0.2 0.867 106.1 47.6 -68.2 -36.8 3.9 4.6 -19.8 591 298 B Y H X S+ 0 0 57 -4,-1.7 4,-1.5 -3,-0.3 -1,-0.2 0.891 113.2 49.2 -68.8 -41.7 5.8 3.1 -16.8 592 299 B R H X S+ 0 0 122 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.913 108.3 53.7 -63.6 -41.7 3.8 -0.0 -17.1 593 300 B E H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.869 107.0 51.9 -61.8 -35.3 4.5 -0.2 -20.8 594 301 B K H X S+ 0 0 15 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.836 105.0 54.9 -70.6 -34.2 8.3 0.0 -20.2 595 302 B I H X S+ 0 0 13 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.957 112.6 43.7 -63.9 -46.4 8.2 -2.8 -17.7 596 303 B V H X S+ 0 0 15 -4,-1.8 4,-1.8 1,-0.2 3,-0.2 0.915 113.9 48.4 -63.6 -45.6 6.6 -5.1 -20.3 597 304 B X H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.833 103.0 62.3 -68.1 -32.3 8.8 -4.0 -23.3 598 305 B I H X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.910 107.9 44.0 -58.8 -42.0 12.0 -4.5 -21.3 599 306 B E H X S+ 0 0 62 -4,-1.1 4,-1.8 -3,-0.2 -2,-0.2 0.896 109.7 55.1 -71.4 -39.4 11.1 -8.2 -21.0 600 307 B Q H X S+ 0 0 17 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.877 107.6 50.5 -60.3 -37.7 10.1 -8.6 -24.6 601 308 B F H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.884 107.3 53.2 -67.8 -38.1 13.5 -7.2 -25.7 602 309 B Y H X S+ 0 0 57 -4,-1.4 4,-2.1 -5,-0.2 -1,-0.2 0.853 110.2 48.8 -64.3 -31.4 15.3 -9.7 -23.4 603 310 B R H X S+ 0 0 104 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.888 107.4 54.6 -75.0 -37.9 13.2 -12.5 -25.1 604 311 B Y H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.941 111.0 46.5 -56.9 -48.3 14.2 -11.1 -28.6 605 312 B V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 3,-0.4 0.960 112.8 47.5 -59.2 -56.4 17.9 -11.4 -27.6 606 313 B Q H < S+ 0 0 64 -4,-2.1 4,-0.3 1,-0.2 -1,-0.2 0.875 118.4 41.7 -55.7 -39.6 17.7 -14.9 -26.1 607 314 B E H < S+ 0 0 120 -4,-2.4 -1,-0.2 1,-0.2 4,-0.2 0.708 123.4 34.4 -82.6 -20.2 15.7 -16.3 -29.2 608 315 B N H <>S+ 0 0 12 -4,-1.8 5,-1.8 -3,-0.4 6,-0.3 0.464 93.7 81.6-115.1 -2.3 17.7 -14.5 -32.0 609 316 B R T <5S+ 0 0 98 -4,-1.8 -3,-0.1 -5,-0.2 -2,-0.1 0.852 82.5 64.2 -74.8 -30.4 21.3 -14.4 -30.9 610 317 B A T 5S+ 0 0 100 -4,-0.3 -1,-0.2 -5,-0.2 -2,-0.1 0.937 107.7 42.2 -59.9 -49.1 22.2 -17.9 -31.9 611 318 B D T 5S- 0 0 76 -4,-0.2 2,-0.9 1,-0.1 0, 0.0 -0.377 120.0 -93.2 -80.8-179.7 21.6 -17.2 -35.6 612 319 B G T 5 - 0 0 49 1,-0.1 -3,-0.2 -2,-0.1 -2,-0.1 -0.202 65.5 -76.7 -95.7 58.1 23.1 -13.8 -36.2 613 320 B Y < + 0 0 44 -5,-1.8 -1,-0.1 -2,-0.9 -4,-0.1 0.930 68.9 171.2 55.2 50.0 20.1 -11.6 -35.7 614 321 B Q + 0 0 142 -6,-0.3 -1,-0.1 1,-0.1 -5,-0.0 0.785 65.0 45.9 -59.1 -35.5 18.8 -12.6 -39.2 615 322 B T S S- 0 0 58 -7,-0.1 -1,-0.1 4,-0.0 -2,-0.0 -0.958 90.4-121.8-117.4 133.2 15.4 -10.8 -38.5 616 323 B P > - 0 0 49 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.114 23.4-108.6 -66.5 161.1 15.1 -7.3 -36.9 617 324 B W H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.914 116.1 56.2 -53.8 -49.3 13.4 -6.3 -33.7 618 325 B S H > S+ 0 0 28 -107,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.850 112.4 42.0 -56.8 -36.1 10.5 -4.5 -35.6 619 326 B V H > S+ 0 0 68 -3,-0.4 4,-1.2 2,-0.2 -1,-0.2 0.918 115.1 48.8 -76.5 -45.0 9.6 -7.6 -37.6 620 327 B W H X S+ 0 0 11 -4,-2.4 4,-1.7 1,-0.2 3,-0.4 0.915 109.6 53.5 -59.8 -43.1 10.0 -10.1 -34.6 621 328 B L H < S+ 0 0 19 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 103.9 54.1 -62.3 -40.0 7.8 -7.8 -32.4 622 329 B K H < S+ 0 0 153 -4,-1.1 -1,-0.2 -5,-0.3 -2,-0.2 0.838 113.1 45.1 -62.7 -29.7 5.0 -7.8 -34.9 623 330 B S H < S+ 0 0 83 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.696 122.3 36.0 -81.9 -30.1 5.1 -11.6 -34.8 624 331 B H S < S- 0 0 73 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.1 -0.643 83.7-168.2-126.2 73.6 5.3 -11.9 -31.0 625 332 B P - 0 0 72 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.298 20.6-118.8 -65.5 144.5 3.2 -9.0 -29.7 626 333 B A - 0 0 15 -305,-0.3 -305,-0.4 -5,-0.1 2,-0.3 -0.420 20.3-132.2 -80.4 161.0 3.4 -8.2 -26.0 627 334 B K - 0 0 162 1,-0.1 -1,-0.0 -2,-0.1 0, 0.0 -0.818 28.1-100.3-111.9 153.0 0.5 -8.5 -23.5 628 335 B A 0 0 57 -2,-0.3 -1,-0.1 1,-0.2 -35,-0.0 -0.024 360.0 360.0 -69.1 173.6 -0.4 -5.8 -20.9 629 336 B L 0 0 155 0, 0.0 -1,-0.2 0, 0.0 -34,-0.1 -0.414 360.0 360.0 94.1 360.0 0.3 -5.6 -17.2