==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-05 2B4U . COMPND 2 MOLECULE: MYO-INOSITOL HEXAPHOSPHATE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SELENOMONAS RUMINANTIUM; . AUTHOR R.J.GRUNINGER,L.B.SELINGER,S.C.MOSIMANN . 628 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 62.4 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 . 52 8.3 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 . 37 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.8 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 0 0 0 4 0 0 2 0 3 1 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 . 3 4 0 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 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 34 A T 0 0 190 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 109.1 -25.2 14.0 31.9 2 35 A V - 0 0 116 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.744 360.0-158.2 -89.6 130.7 -22.9 12.0 29.6 3 36 A T S S+ 0 0 121 -2,-0.4 -1,-0.2 1,-0.3 0, 0.0 0.959 82.2 14.2 -71.4 -54.0 -22.2 8.4 30.6 4 37 A E S S- 0 0 47 8,-0.0 -1,-0.3 5,-0.0 3,-0.1 -0.966 79.1-145.4-128.9 116.1 -19.0 7.9 28.6 5 38 A P > - 0 0 63 0, 0.0 3,-1.8 0, 0.0 2,-0.1 -0.217 42.3 -72.0 -72.8 166.3 -17.1 10.9 27.1 6 39 A V T 3 S+ 0 0 16 305,-0.5 305,-0.4 1,-0.3 307,-0.0 -0.381 124.4 35.6 -60.1 130.9 -15.2 10.8 23.9 7 40 A G T 3 S+ 0 0 5 -3,-0.1 -1,-0.3 -2,-0.1 3,-0.0 0.343 111.2 65.2 103.7 -3.7 -12.1 8.7 24.3 8 41 A S X + 0 0 17 -3,-1.8 3,-2.0 187,-0.1 4,-0.3 0.122 55.3 122.7-134.7 19.3 -13.8 6.3 26.7 9 42 A Y G > + 0 0 53 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.855 68.5 66.3 -51.0 -41.0 -16.4 4.6 24.4 10 43 A A G > S+ 0 0 15 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.739 83.2 75.5 -54.6 -26.7 -14.9 1.2 25.2 11 44 A R G < S+ 0 0 163 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.702 87.4 62.5 -60.4 -17.8 -16.1 1.6 28.8 12 45 A A G < S+ 0 0 70 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.658 85.2 93.1 -82.2 -17.2 -19.6 0.9 27.5 13 46 A E S < S- 0 0 49 -3,-1.8 -3,-0.0 -4,-0.3 0, 0.0 -0.377 82.5-114.6 -75.5 156.5 -18.7 -2.6 26.4 14 47 A R > - 0 0 133 1,-0.2 3,-2.0 -2,-0.1 4,-0.2 -0.829 15.8-159.1 -98.3 113.5 -19.2 -5.6 28.7 15 48 A P G > S+ 0 0 48 0, 0.0 3,-2.5 0, 0.0 109,-0.2 0.878 89.9 66.9 -54.1 -41.2 -16.0 -7.3 29.8 16 49 A Q G 3 S+ 0 0 72 1,-0.3 3,-0.4 2,-0.1 -2,-0.0 0.653 95.3 60.1 -57.2 -13.8 -17.9 -10.5 30.7 17 50 A D G < S+ 0 0 79 -3,-2.0 -1,-0.3 1,-0.2 101,-0.1 0.484 107.0 42.0 -95.3 -1.6 -18.6 -10.9 26.9 18 51 A F S < S+ 0 0 10 -3,-2.5 106,-0.2 103,-0.2 103,-0.2 -0.072 76.6 156.2-134.5 37.8 -14.9 -11.1 25.8 19 52 A E - 0 0 58 -3,-0.4 99,-0.5 98,-0.2 103,-0.2 -0.328 50.6 -94.0 -70.3 145.5 -13.2 -13.3 28.4 20 53 A G E +A 117 0A 12 102,-0.4 97,-0.3 97,-0.2 -1,-0.1 -0.194 45.5 165.8 -56.6 146.2 -10.0 -15.2 27.4 21 54 A F E + 0 0 19 95,-2.7 2,-0.3 1,-0.3 442,-0.2 0.411 56.9 26.8-142.5 -5.2 -10.4 -18.7 26.2 22 55 A V E S-A 116 0A 5 94,-1.0 94,-2.7 92,-0.1 2,-0.9 -0.993 72.4-108.8-161.0 152.4 -7.1 -19.8 24.6 23 56 A W E -Ab 115 149A 20 125,-1.0 127,-2.0 -2,-0.3 2,-0.3 -0.778 42.5-151.2 -84.2 109.3 -3.4 -19.2 24.6 24 57 A R E -Ab 114 150A 32 90,-3.4 90,-1.4 -2,-0.9 2,-0.7 -0.651 14.7-121.1 -86.7 136.8 -2.7 -17.4 21.4 25 58 A L E -A 113 0A 45 125,-1.9 127,-0.3 -2,-0.3 88,-0.2 -0.673 24.2-169.1 -75.5 113.5 0.6 -17.7 19.5 26 59 A D S S+ 0 0 17 86,-2.8 2,-0.3 -2,-0.7 48,-0.3 0.702 70.7 1.6 -79.5 -20.5 1.9 -14.1 19.3 27 60 A N - 0 0 18 85,-0.7 -1,-0.3 48,-0.1 48,-0.1 -0.902 54.3-143.2-166.3 135.8 4.7 -15.0 16.9 28 61 A D - 0 0 102 -2,-0.3 -1,-0.0 -3,-0.1 47,-0.0 0.590 39.5-133.3 -79.4 -9.4 5.9 -18.1 15.1 29 62 A G + 0 0 34 1,-0.1 -1,-0.0 4,-0.0 46,-0.0 0.711 67.5 125.6 66.9 23.0 9.5 -17.0 15.5 30 63 A K + 0 0 171 3,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.782 59.8 64.8 -84.1 -26.9 10.5 -17.8 11.9 31 64 A E S S- 0 0 108 2,-0.1 4,-0.1 1,-0.1 48,-0.1 -0.585 82.6-127.2 -93.8 159.9 11.9 -14.3 11.2 32 65 A A S S+ 0 0 62 -2,-0.2 50,-0.3 2,-0.1 51,-0.1 0.798 94.7 36.6 -73.7 -29.0 14.9 -12.8 12.9 33 66 A L S S- 0 0 37 49,-0.1 -2,-0.1 1,-0.1 47,-0.1 -0.856 92.3-100.3-123.9 157.8 13.0 -9.7 13.8 34 67 A P > - 0 0 2 0, 0.0 3,-0.7 0, 0.0 41,-0.1 -0.184 54.1 -84.7 -66.4 170.2 9.4 -9.0 14.9 35 68 A R T 3 S+ 0 0 121 39,-0.5 38,-2.3 1,-0.2 0, 0.0 -0.395 107.5 17.2 -76.4 154.9 6.9 -7.8 12.3 36 69 A N T 3 S+ 0 0 78 36,-0.2 -1,-0.2 1,-0.2 2,-0.2 0.740 80.1 176.0 56.5 30.4 6.5 -4.1 11.5 37 70 A F < + 0 0 40 -3,-0.7 2,-0.3 35,-0.1 35,-0.2 -0.455 9.9 155.1 -66.8 131.9 9.9 -3.2 13.0 38 71 A R E -F 71 0B 3 33,-1.9 33,-2.4 -2,-0.2 2,-0.3 -0.994 26.1-157.8-158.1 151.7 10.7 0.4 12.5 39 72 A T E > -F 70 0B 1 -2,-0.3 3,-1.6 31,-0.2 31,-0.2 -0.896 34.1-114.7-130.3 162.2 12.7 3.3 13.9 40 73 A S T 3 S+ 0 0 1 29,-2.4 27,-0.2 -2,-0.3 30,-0.1 0.503 114.9 63.4 -72.2 -4.0 12.7 7.1 13.8 41 74 A A T 3 S+ 0 0 50 28,-0.3 -1,-0.3 2,-0.1 24,-0.1 0.500 83.1 109.5 -94.3 -6.7 16.0 7.0 12.0 42 75 A D S < S- 0 0 47 -3,-1.6 2,-0.1 1,-0.1 -4,-0.0 -0.298 76.7-105.2 -71.7 152.7 14.4 5.1 9.1 43 76 A A - 0 0 70 1,-0.1 2,-0.2 210,-0.1 -1,-0.1 -0.461 37.0-109.4 -74.8 147.3 13.8 6.7 5.7 44 77 A L - 0 0 43 -2,-0.1 2,-0.2 15,-0.1 209,-0.2 -0.574 38.9-167.6 -77.9 140.5 10.2 7.8 4.9 45 78 A R - 0 0 131 207,-2.2 209,-0.1 -2,-0.2 206,-0.0 -0.731 35.5 -61.3-121.5 174.6 8.5 5.7 2.2 46 79 A A - 0 0 87 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.207 59.7-111.4 -54.6 139.8 5.4 5.9 0.1 47 80 A P - 0 0 17 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.326 36.9 -93.9 -71.9 157.5 2.2 6.1 2.1 48 81 A E > - 0 0 93 1,-0.1 3,-1.7 203,-0.0 5,-0.4 -0.543 28.0-130.0 -73.6 137.1 -0.3 3.2 2.0 49 82 A K G > S+ 0 0 190 1,-0.3 3,-2.6 -2,-0.2 -1,-0.1 0.853 101.8 69.9 -54.1 -39.8 -3.0 3.6 -0.6 50 83 A K G 3 S+ 0 0 113 1,-0.3 -1,-0.3 2,-0.1 214,-0.0 0.744 94.9 55.7 -53.6 -25.8 -5.8 2.8 1.9 51 84 A F G < S- 0 0 1 -3,-1.7 -1,-0.3 210,-0.1 -2,-0.2 0.477 97.0-139.6 -90.3 0.3 -5.1 6.1 3.7 52 85 A H < + 0 0 122 -3,-2.6 2,-0.2 -4,-0.2 -3,-0.1 0.899 45.1 159.5 42.9 54.7 -5.6 8.2 0.6 53 86 A L - 0 0 32 -5,-0.4 2,-1.0 -4,-0.0 -1,-0.1 -0.471 51.7 -88.5-100.8 173.9 -2.7 10.5 1.5 54 87 A D > - 0 0 76 1,-0.2 3,-0.9 -2,-0.2 -1,-0.0 -0.737 34.2-171.4 -86.8 102.6 -0.6 12.9 -0.6 55 88 A A T 3 S+ 0 0 71 -2,-1.0 -1,-0.2 1,-0.2 -6,-0.0 0.740 85.8 56.6 -65.0 -24.1 2.3 10.8 -2.0 56 89 A A T 3 S+ 0 0 83 -3,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.719 83.3 107.7 -80.5 -21.0 4.0 13.9 -3.3 57 90 A Y < - 0 0 60 -3,-0.9 -4,-0.0 1,-0.1 0, 0.0 -0.321 59.6-151.9 -61.4 132.9 4.0 15.5 0.2 58 91 A V - 0 0 122 -2,-0.1 -1,-0.1 -14,-0.0 3,-0.1 -0.879 14.2-147.1-110.0 99.1 7.4 15.7 1.8 59 92 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -15,-0.1 -0.311 23.9-104.3 -63.5 146.2 7.0 15.6 5.6 60 93 A S - 0 0 47 1,-0.1 189,-0.1 182,-0.1 181,-0.0 -0.451 20.1-156.7 -69.3 143.6 9.5 17.5 7.7 61 94 A R > + 0 0 80 -2,-0.1 3,-2.6 -3,-0.1 4,-0.5 0.299 40.7 146.0-102.9 7.9 12.1 15.4 9.4 62 95 A E T 3 S+ 0 0 123 1,-0.3 179,-0.1 2,-0.1 -2,-0.0 -0.190 74.7 3.8 -48.2 123.9 12.8 18.0 12.1 63 96 A G T 3 S+ 0 0 15 1,-0.1 4,-0.3 178,-0.0 -1,-0.3 0.334 96.9 110.9 81.8 -7.1 13.6 16.3 15.4 64 97 A X S X> S+ 0 0 1 -3,-2.6 3,-0.9 1,-0.2 4,-0.7 0.859 71.6 58.4 -69.3 -35.2 13.5 12.7 14.0 65 98 A D T 34 S+ 0 0 130 -4,-0.5 -1,-0.2 1,-0.3 3,-0.2 0.869 115.9 35.7 -61.2 -37.3 17.2 12.2 14.4 66 99 A A T 34 S+ 0 0 54 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.342 94.3 91.0 -97.4 5.1 17.0 12.9 18.1 67 100 A L T <4 - 0 0 1 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.923 65.2-169.4 -65.7 -45.0 13.5 11.2 18.5 68 101 A H < + 0 0 44 -4,-0.7 147,-1.9 -3,-0.2 2,-0.3 0.933 32.1 129.9 55.6 57.4 15.1 7.8 19.3 69 102 A I E - g 0 215B 2 -5,-0.2 -29,-2.4 145,-0.2 2,-0.3 -0.953 30.6-177.7-136.1 159.1 12.0 5.6 19.2 70 103 A S E -Fg 39 216B 0 145,-2.4 147,-2.9 -2,-0.3 2,-0.3 -0.957 6.7-157.0-148.1 163.0 11.0 2.4 17.5 71 104 A G E +Fg 38 217B 0 -33,-2.4 -33,-1.9 -2,-0.3 2,-0.3 -0.933 17.3 149.0-141.1 163.9 8.0 0.1 17.1 72 105 A S E - g 0 218B 0 145,-0.7 147,-1.1 -2,-0.3 -36,-0.2 -0.981 40.2 -88.6-176.4 175.0 7.2 -3.6 16.4 73 106 A S - 0 0 6 -38,-2.3 148,-0.2 -2,-0.3 147,-0.2 -0.144 65.6 -64.2 -83.9-173.6 4.8 -6.5 16.9 74 107 A A - 0 0 2 146,-2.5 -39,-0.5 -48,-0.3 2,-0.3 -0.157 62.9-162.8 -64.8 172.8 5.1 -9.1 19.6 75 108 A F - 0 0 0 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.989 23.2-110.2-158.2 161.9 8.2 -11.2 19.5 76 109 A T > - 0 0 19 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.494 47.6-102.9 -84.7 165.7 10.0 -14.4 20.7 77 110 A P H > S+ 0 0 34 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.933 123.2 51.5 -57.2 -44.2 13.0 -13.9 23.1 78 111 A A H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.894 108.9 50.9 -58.7 -41.6 15.5 -14.4 20.3 79 112 A Q H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.900 107.8 53.0 -63.6 -39.1 13.8 -11.8 18.1 80 113 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.904 106.3 53.3 -62.2 -40.5 13.9 -9.4 21.1 81 114 A K H X S+ 0 0 126 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.885 107.6 51.0 -61.9 -38.1 17.6 -9.9 21.4 82 115 A N H X S+ 0 0 69 -4,-1.8 4,-2.2 -50,-0.3 -1,-0.2 0.886 110.0 50.0 -66.3 -37.2 18.0 -9.1 17.7 83 116 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.921 109.6 50.5 -65.5 -45.4 16.1 -5.9 18.2 84 117 A A H X S+ 0 0 10 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 110.0 50.5 -59.9 -43.6 18.2 -4.9 21.2 85 118 A A H X S+ 0 0 60 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.926 111.3 48.0 -61.9 -44.5 21.4 -5.5 19.2 86 119 A K H < S+ 0 0 93 -4,-2.2 3,-0.5 1,-0.2 4,-0.3 0.896 114.0 46.3 -64.2 -40.2 20.1 -3.3 16.3 87 120 A L H >X S+ 0 0 0 -4,-2.5 3,-2.0 1,-0.2 4,-0.9 0.867 102.8 63.5 -71.6 -34.2 19.1 -0.5 18.6 88 121 A R H 3< S+ 0 0 109 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.777 95.7 61.1 -61.7 -23.1 22.3 -0.6 20.6 89 122 A E T 3< S+ 0 0 173 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.712 107.0 45.8 -75.2 -16.2 24.0 0.4 17.3 90 123 A K T <4 S+ 0 0 99 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.559 119.9 21.5-102.9 -11.5 22.0 3.6 17.3 91 124 A T < - 0 0 19 -4,-0.9 -1,-0.2 -3,-0.2 4,-0.1 -0.999 43.5-154.5-157.6 155.5 22.4 4.7 20.9 92 125 A A S S+ 0 0 95 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.217 75.3 95.7-110.1 7.9 24.5 4.4 24.1 93 126 A G S S- 0 0 3 119,-0.4 120,-0.2 1,-0.2 -2,-0.1 -0.355 92.2 -68.2 -92.0 175.6 21.5 5.3 26.3 94 127 A P - 0 0 21 0, 0.0 120,-2.8 0, 0.0 2,-0.6 -0.410 46.2-140.7 -65.4 139.1 19.1 2.9 28.1 95 128 A I E -h 214 0B 4 85,-0.4 87,-2.7 118,-0.2 2,-0.4 -0.910 17.5-156.6-105.1 118.6 16.9 0.9 25.7 96 129 A Y E -hi 215 182B 24 118,-3.1 120,-3.0 -2,-0.6 2,-0.9 -0.776 14.8-148.8-101.0 136.2 13.3 0.5 26.9 97 130 A D E -hi 216 183B 0 85,-3.4 87,-2.1 -2,-0.4 2,-1.1 -0.876 19.2-161.2 -96.5 98.4 10.9 -2.2 26.0 98 131 A V E -hi 217 184B 0 118,-2.7 120,-1.8 -2,-0.9 2,-0.7 -0.768 3.3-160.8 -88.6 98.3 7.6 -0.4 26.3 99 132 A D E +hi 218 185B 0 85,-2.0 87,-3.3 -2,-1.1 120,-0.2 -0.724 14.2 177.7 -81.0 108.9 5.0 -3.1 26.5 100 133 A L E + 0 0 0 118,-2.5 88,-0.7 -2,-0.7 2,-0.6 0.159 37.8 121.7 -99.5 18.8 1.6 -1.6 25.6 101 134 A R E - i 0 188B 2 117,-0.2 88,-0.2 86,-0.2 4,-0.1 -0.719 36.8-178.0 -93.4 119.8 -0.5 -4.8 25.9 102 135 A Q + 0 0 13 86,-2.0 -1,-0.2 -2,-0.6 87,-0.2 0.861 63.8 91.3 -75.9 -36.0 -3.4 -4.9 28.3 103 136 A E S S- 0 0 1 85,-0.4 2,-0.2 17,-0.2 13,-0.1 -0.272 94.0 -99.8 -61.5 142.3 -4.0 -8.5 27.5 104 137 A S + 0 0 0 11,-0.4 11,-2.6 10,-0.1 2,-0.3 -0.480 58.0 159.5 -65.5 128.1 -2.3 -11.1 29.6 105 138 A H E +C 114 0A 2 9,-0.3 67,-0.4 -2,-0.2 2,-0.3 -0.968 7.3 130.6-149.0 163.9 0.8 -12.4 27.9 106 139 A G E -C 113 0A 2 7,-2.6 7,-2.3 -2,-0.3 2,-0.4 -0.901 50.2 -68.1-179.6-153.5 4.1 -14.1 28.5 107 140 A Y E -CD 112 170A 5 63,-2.5 63,-2.4 -2,-0.3 2,-0.6 -0.986 26.8-169.9-136.8 124.7 6.3 -17.0 27.4 108 141 A L E > S-CD 111 169A 0 3,-2.2 3,-2.3 -2,-0.4 61,-0.2 -0.959 86.9 -16.3-112.4 117.4 5.8 -20.7 27.8 109 142 A D T 3 S- 0 0 40 59,-2.9 -1,-0.2 -2,-0.6 60,-0.1 0.892 131.1 -54.5 54.2 37.8 8.8 -22.8 26.9 110 143 A G T 3 S+ 0 0 21 58,-0.3 -1,-0.3 1,-0.2 -32,-0.2 0.460 109.6 132.1 76.9 0.9 10.1 -19.6 25.2 111 144 A I E < - 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0 0 47 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.250 19.8-119.0 -64.8 152.5 -19.7 -69.5 16.2 558 276 B L H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.899 114.8 55.4 -56.6 -43.5 -17.1 -66.8 16.8 559 277 B K H > S+ 0 0 94 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.909 108.7 47.5 -57.5 -44.4 -16.9 -66.2 13.0 560 278 B D H > S+ 0 0 16 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.913 110.5 50.7 -65.4 -45.0 -20.6 -65.5 12.9 561 279 B I H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.947 115.5 42.7 -57.1 -49.9 -20.7 -63.2 15.9 562 280 B L H X S+ 0 0 7 -4,-2.4 4,-1.5 1,-0.2 11,-0.3 0.910 116.1 47.6 -64.0 -45.3 -17.8 -61.1 14.4 563 281 B Y H X S+ 0 0 13 -4,-2.6 4,-2.6 -5,-0.2 -2,-0.2 0.913 114.7 45.4 -64.0 -44.2 -19.2 -61.1 10.9 564 282 B R H X S+ 0 0 1 -4,-2.9 4,-0.7 2,-0.2 6,-0.2 0.879 110.3 51.5 -73.1 -37.0 -22.7 -60.1 11.9 565 283 B Q H <>S+ 0 0 3 -4,-2.3 5,-1.4 -5,-0.3 -1,-0.2 0.856 115.7 44.5 -68.1 -29.8 -21.7 -57.4 14.4 566 284 B H H ><5S+ 0 0 4 -4,-1.5 3,-2.0 -5,-0.2 4,-0.2 0.927 109.5 54.2 -75.4 -45.7 -19.6 -55.9 11.6 567 285 B E H 3<5S+ 0 0 9 -4,-2.6 -207,-2.9 1,-0.3 -1,-0.2 0.543 101.5 59.4 -70.2 -6.5 -22.1 -56.2 8.9 568 286 B I T 3<5S- 0 0 4 -4,-0.7 -1,-0.3 -209,-0.2 -214,-0.2 0.343 137.4 -76.2 -99.3 7.6 -24.8 -54.4 10.8 569 287 B G T < 5S+ 0 0 29 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.2 0.482 96.1 115.7 116.6 5.5 -22.6 -51.3 11.0 570 288 B G S - 0 0 140 -2,-0.3 3,-3.1 1,-0.1 4,-0.3 -0.498 44.9-110.1 -71.2 144.5 -1.6 -43.7 8.4 582 300 B D G > S+ 0 0 158 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.823 122.5 54.9 -45.1 -32.5 2.1 -43.2 9.4 583 301 B K G 3 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.685 110.1 45.0 -76.9 -17.9 0.7 -40.7 12.0 584 302 B D G X S+ 0 0 33 -3,-3.1 3,-2.4 1,-0.1 4,-0.4 0.121 73.2 117.5-109.7 18.8 -1.6 -43.4 13.5 585 303 B S G X + 0 0 77 -3,-1.0 3,-0.7 -4,-0.3 4,-0.5 0.718 65.3 71.1 -59.5 -19.1 0.9 -46.2 13.6 586 304 B W G 3 S+ 0 0 46 -3,-0.2 4,-0.5 1,-0.2 -1,-0.3 0.685 89.9 61.1 -71.7 -14.9 0.5 -46.2 17.4 587 305 B K G <> S+ 0 0 33 -3,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.749 84.5 80.1 -81.5 -24.6 -3.0 -47.7 16.9 588 306 B T H <> S+ 0 0 25 -3,-0.7 4,-2.2 -4,-0.4 3,-0.2 0.896 92.4 44.3 -50.9 -55.2 -1.7 -50.9 15.2 589 307 B K H > S+ 0 0 101 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.861 112.6 53.6 -64.8 -31.8 -0.6 -52.8 18.2 590 308 B Y H > S+ 0 0 1 -4,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.839 108.1 50.3 -69.8 -32.7 -3.8 -51.9 20.1 591 309 B Y H X S+ 0 0 53 -4,-2.0 4,-1.8 -3,-0.2 -2,-0.2 0.918 111.6 47.7 -68.1 -43.8 -5.9 -53.2 17.2 592 310 B R H X S+ 0 0 135 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.879 109.6 53.6 -63.8 -38.3 -3.9 -56.5 17.2 593 311 B E H X S+ 0 0 6 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 106.7 52.0 -62.2 -43.3 -4.3 -56.8 20.9 594 312 B K H X S+ 0 0 6 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.883 105.1 55.9 -61.3 -39.4 -8.1 -56.4 20.6 595 313 B I H X S+ 0 0 7 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.943 111.7 43.2 -57.6 -46.7 -8.2 -59.2 18.0 596 314 B V H X S+ 0 0 21 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.902 114.2 49.7 -66.7 -42.8 -6.5 -61.5 20.5 597 315 B X H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.833 103.2 60.6 -67.8 -33.8 -8.6 -60.4 23.5 598 316 B I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.921 108.4 44.1 -57.9 -44.4 -11.8 -60.9 21.5 599 317 B E H X S+ 0 0 107 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.902 111.7 53.9 -67.0 -39.3 -11.0 -64.6 21.1 600 318 B Q H X S+ 0 0 19 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.884 107.6 49.9 -63.2 -38.5 -10.0 -64.8 24.7 601 319 B F H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.914 108.7 52.6 -66.3 -40.7 -13.3 -63.4 25.8 602 320 B Y H X S+ 0 0 56 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.889 107.8 51.8 -59.3 -40.1 -15.1 -65.9 23.6 603 321 B R H X S+ 0 0 101 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.895 107.6 52.5 -64.3 -40.0 -13.1 -68.6 25.3 604 322 B Y H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.922 109.7 48.1 -61.6 -45.5 -14.1 -67.4 28.7 605 323 B V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 3,-0.2 0.932 112.6 48.9 -61.7 -44.0 -17.8 -67.4 27.8 606 324 B Q H < S+ 0 0 58 -4,-2.3 4,-0.3 1,-0.2 -1,-0.2 0.862 116.6 41.7 -65.1 -36.3 -17.5 -71.0 26.4 607 325 B E H < S+ 0 0 96 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.664 124.3 33.7 -87.8 -15.2 -15.7 -72.3 29.5 608 326 B N H <>S+ 0 0 13 -4,-1.6 5,-2.4 -3,-0.2 6,-0.2 0.464 91.4 84.7-121.5 -2.5 -17.8 -70.5 32.1 609 327 B R T ><5S+ 0 0 101 -4,-1.7 3,-1.5 1,-0.2 -3,-0.1 0.899 84.6 63.1 -66.9 -37.8 -21.3 -70.3 30.8 610 328 B A T 3 5S+ 0 0 100 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.879 107.9 38.6 -55.4 -46.6 -22.2 -73.9 32.0 611 329 B D T 3 5S- 0 0 81 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.303 119.9-103.0 -92.2 12.9 -21.7 -73.1 35.7 612 330 B G T < 5 - 0 0 42 -3,-1.5 -3,-0.2 -4,-0.2 -2,-0.1 0.775 66.2 -66.9 76.1 25.6 -23.3 -69.7 35.5 613 331 B Y < + 0 0 39 -5,-2.4 -1,-0.2 -8,-0.1 -4,-0.1 0.950 68.6 169.4 59.9 55.2 -20.1 -67.7 35.7 614 332 B Q S S+ 0 0 147 -6,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.782 70.7 51.5 -64.0 -29.1 -19.1 -68.6 39.2 615 333 B T S S- 0 0 53 -7,-0.1 -1,-0.1 4,-0.0 -3,-0.0 -0.944 90.4-125.9-114.4 130.8 -15.7 -67.0 38.4 616 334 B P > - 0 0 46 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.222 24.2-106.9 -73.3 163.0 -15.4 -63.5 36.9 617 335 B W H > S+ 0 0 0 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.909 115.0 54.6 -52.7 -51.7 -13.5 -62.5 33.8 618 336 B S H > S+ 0 0 24 -107,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.905 111.9 43.5 -53.9 -48.4 -10.6 -60.8 35.6 619 337 B V H > S+ 0 0 73 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.970 115.6 47.0 -62.3 -54.7 -9.8 -63.8 37.7 620 338 B W H X S+ 0 0 12 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.889 109.5 55.8 -54.4 -42.7 -10.1 -66.3 34.8 621 339 B L H < S+ 0 0 15 -4,-3.1 3,-0.4 1,-0.2 -1,-0.2 0.901 106.0 49.7 -59.1 -44.6 -8.0 -64.1 32.6 622 340 B K H < S+ 0 0 173 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.832 113.7 46.1 -65.0 -30.8 -5.1 -64.0 35.0 623 341 B S H < S+ 0 0 91 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.612 125.6 32.4 -85.5 -14.4 -5.3 -67.8 35.3 624 342 B H S < S- 0 0 54 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 -0.427 85.5-171.7-137.5 58.9 -5.5 -68.1 31.5 625 343 B P - 0 0 77 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.149 22.9-117.3 -54.7 147.4 -3.5 -65.2 30.1 626 344 B A - 0 0 10 -305,-0.4 -305,-0.5 -5,-0.0 2,-0.5 -0.445 21.1-133.6 -83.1 160.8 -3.7 -64.5 26.4 627 345 B K - 0 0 163 -2,-0.1 -1,-0.0 -31,-0.1 0, 0.0 -0.970 17.5-119.6-123.0 126.3 -0.6 -64.8 24.1 628 346 B A 0 0 58 -2,-0.5 -35,-0.1 1,-0.1 -307,-0.0 -0.294 360.0 360.0 -60.4 140.8 0.3 -62.2 21.4 629 347 B L 0 0 199 -37,-0.1 -1,-0.1 0, 0.0 -33,-0.0 -0.227 360.0 360.0 -72.4 360.0 0.4 -63.5 17.9