==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-SEP-05 2B4O . COMPND 2 MOLECULE: MYO-INOSITOL HEXAPHOSPHATE PHOSPHOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SELENOMONAS RUMINANTIUM; . AUTHOR R.J.GRUNINGER,L.B.SELINGER,S.C.MOSIMANN . 626 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28191.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 398 63.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 8.0 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 . 41 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 27.6 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 2 0 0 4 0 0 2 1 2 1 3 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 3 4 0 5 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 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 0 192 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 97.0 -25.2 14.3 31.4 2 35 A V - 0 0 117 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.748 360.0-151.1 -95.4 140.8 -23.2 11.8 29.2 3 36 A T S S+ 0 0 125 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 0.926 86.8 19.8 -73.2 -48.4 -22.4 8.3 30.4 4 37 A E S S- 0 0 51 8,-0.0 -1,-0.3 6,-0.0 3,-0.1 -0.975 78.3-145.5-129.3 118.8 -19.2 7.9 28.4 5 38 A P > - 0 0 56 0, 0.0 3,-2.2 0, 0.0 307,-0.1 -0.336 42.4 -74.9 -77.0 161.6 -17.2 10.9 27.0 6 39 A V T 3 S+ 0 0 24 305,-0.5 305,-0.3 1,-0.3 307,-0.0 -0.307 124.5 36.6 -54.8 135.4 -15.4 10.8 23.7 7 40 A G T 3 S+ 0 0 5 -3,-0.1 -1,-0.3 303,-0.1 3,-0.1 0.227 110.9 66.7 101.2 -12.5 -12.2 8.8 24.2 8 41 A S X + 0 0 17 -3,-2.2 3,-1.3 1,-0.1 4,-0.3 0.049 55.6 121.3-127.7 26.5 -13.9 6.4 26.6 9 42 A Y G > + 0 0 57 1,-0.3 3,-2.6 2,-0.2 4,-0.3 0.902 68.7 64.5 -57.4 -43.0 -16.4 4.7 24.2 10 43 A A G > S+ 0 0 15 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.739 85.7 74.5 -53.4 -25.7 -14.9 1.2 25.0 11 44 A R G < S+ 0 0 159 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.730 87.3 62.5 -61.8 -20.5 -16.1 1.7 28.6 12 45 A A G < S+ 0 0 67 -3,-2.6 -1,-0.3 -4,-0.3 -2,-0.2 0.702 86.2 92.1 -78.4 -20.5 -19.7 1.0 27.4 13 46 A E S < S- 0 0 50 -3,-1.5 3,-0.1 -4,-0.3 0, 0.0 -0.312 83.0-115.4 -70.9 158.5 -18.7 -2.5 26.2 14 47 A R > - 0 0 131 1,-0.1 3,-1.7 3,-0.0 -1,-0.1 -0.869 15.0-159.6-102.0 115.2 -19.2 -5.5 28.6 15 48 A P G > S+ 0 0 42 0, 0.0 3,-2.3 0, 0.0 109,-0.2 0.841 88.7 69.8 -58.2 -34.2 -16.0 -7.2 29.6 16 49 A Q G 3 S+ 0 0 79 1,-0.3 3,-0.4 2,-0.2 106,-0.0 0.681 94.3 57.2 -59.8 -17.9 -18.0 -10.3 30.6 17 50 A D G < S+ 0 0 78 -3,-1.7 -1,-0.3 1,-0.2 101,-0.1 0.310 107.4 46.4 -96.7 8.0 -18.7 -10.9 26.9 18 51 A F S < S+ 0 0 18 -3,-2.3 -1,-0.2 103,-0.2 106,-0.2 0.023 74.8 154.2-138.0 32.4 -15.0 -11.1 25.8 19 52 A E - 0 0 54 -3,-0.4 99,-0.5 98,-0.2 103,-0.1 -0.222 51.9 -93.9 -64.0 150.9 -13.3 -13.3 28.4 20 53 A G E +A 117 0A 11 102,-0.4 97,-0.3 97,-0.2 440,-0.1 -0.310 45.4 166.3 -64.8 146.5 -10.2 -15.2 27.5 21 54 A F E + 0 0 17 95,-2.9 2,-0.3 1,-0.4 441,-0.2 0.408 56.7 24.7-141.7 -3.3 -10.6 -18.7 26.2 22 55 A V E S-A 116 0A 6 94,-1.1 94,-2.2 92,-0.1 2,-0.9 -0.981 72.7-106.5-164.7 150.9 -7.3 -19.8 24.6 23 56 A W E -Ab 115 149A 18 125,-1.0 127,-2.0 -2,-0.3 2,-0.3 -0.728 43.2-151.8 -81.9 104.9 -3.5 -19.2 24.6 24 57 A R E -Ab 114 150A 39 90,-3.1 90,-1.4 -2,-0.9 2,-0.7 -0.586 14.2-121.3 -83.4 137.6 -2.9 -17.4 21.3 25 58 A L E -A 113 0A 43 125,-1.7 127,-0.3 -2,-0.3 88,-0.2 -0.687 23.3-169.9 -77.6 113.9 0.5 -17.6 19.5 26 59 A D S S+ 0 0 17 86,-2.6 2,-0.3 -2,-0.7 48,-0.2 0.741 71.1 2.4 -78.6 -25.0 1.8 -14.1 19.3 27 60 A N - 0 0 17 85,-0.7 -1,-0.3 48,-0.1 48,-0.1 -0.904 53.4-143.5-163.5 133.0 4.6 -15.0 16.8 28 61 A D - 0 0 98 -2,-0.3 -1,-0.1 -3,-0.2 47,-0.0 0.638 40.7-134.8 -72.8 -12.6 5.8 -18.1 15.0 29 62 A G + 0 0 34 1,-0.1 -1,-0.1 4,-0.1 46,-0.0 0.745 68.2 123.0 67.1 26.3 9.4 -17.0 15.5 30 63 A K + 0 0 172 3,-0.1 2,-0.1 2,-0.0 -1,-0.1 0.792 58.1 69.0 -87.8 -30.3 10.4 -17.8 12.0 31 64 A E S S- 0 0 99 2,-0.1 4,-0.1 1,-0.1 48,-0.0 -0.472 83.2-126.1 -86.6 159.9 11.7 -14.3 11.1 32 65 A A S S+ 0 0 69 -2,-0.1 50,-0.2 2,-0.1 51,-0.1 0.852 95.5 31.0 -71.7 -33.1 14.7 -12.7 12.6 33 66 A L S S- 0 0 38 1,-0.1 -2,-0.1 49,-0.1 47,-0.1 -0.822 92.0 -99.6-123.7 160.6 12.7 -9.6 13.7 34 67 A P > - 0 0 2 0, 0.0 3,-0.7 0, 0.0 41,-0.1 -0.232 54.7 -81.3 -71.8 170.3 9.1 -9.1 14.7 35 68 A R T 3 S+ 0 0 119 39,-0.4 38,-2.3 1,-0.2 0, 0.0 -0.296 109.2 18.4 -69.6 157.4 6.6 -7.8 12.2 36 69 A N T 3 S+ 0 0 75 36,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.791 78.9 176.6 53.1 36.5 6.3 -4.0 11.5 37 70 A F < + 0 0 45 -3,-0.7 2,-0.3 35,-0.1 35,-0.2 -0.573 12.4 151.8 -73.1 126.9 9.8 -3.3 12.9 38 71 A R E -F 71 0B 3 33,-2.1 33,-2.5 -2,-0.4 2,-0.3 -0.996 27.8-157.9-155.1 153.1 10.5 0.4 12.3 39 72 A T E > -F 70 0B 2 -2,-0.3 3,-1.6 31,-0.2 31,-0.2 -0.897 33.8-115.3-131.4 161.5 12.5 3.3 13.8 40 73 A S T 3 S+ 0 0 1 29,-2.2 27,-0.2 -2,-0.3 30,-0.1 0.491 114.9 63.3 -73.4 -2.0 12.4 7.1 13.7 41 74 A A T 3 S+ 0 0 47 28,-0.3 -1,-0.3 24,-0.1 24,-0.1 0.529 83.4 107.8 -95.5 -8.8 15.7 7.0 11.9 42 75 A D S < S- 0 0 50 -3,-1.6 2,-0.1 1,-0.1 212,-0.0 -0.286 77.4-103.1 -71.9 153.3 14.2 5.1 9.0 43 76 A A - 0 0 71 1,-0.1 2,-0.4 210,-0.1 -1,-0.1 -0.375 38.3-108.8 -71.4 152.2 13.6 6.7 5.6 44 77 A L - 0 0 44 15,-0.1 209,-0.2 -2,-0.1 2,-0.2 -0.713 36.0-164.5 -88.2 132.8 10.1 7.6 4.6 45 78 A R - 0 0 197 207,-2.6 209,-0.1 -2,-0.4 206,-0.0 -0.566 36.6 -66.2-107.9 175.1 8.3 5.5 2.0 46 79 A A - 0 0 86 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.304 59.5-110.1 -60.1 139.9 5.2 6.0 -0.1 47 80 A P - 0 0 16 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.210 37.7 -90.8 -68.9 163.7 2.0 6.2 2.0 48 81 A E > - 0 0 92 1,-0.1 3,-1.7 4,-0.0 5,-0.4 -0.571 27.3-130.4 -77.4 137.9 -0.6 3.4 1.8 49 82 A K G > S+ 0 0 192 1,-0.3 3,-2.5 -2,-0.3 -1,-0.1 0.874 101.9 69.0 -52.1 -44.2 -3.3 3.8 -0.8 50 83 A K G 3 S+ 0 0 115 1,-0.3 -1,-0.3 2,-0.1 214,-0.1 0.697 95.9 54.5 -51.6 -24.9 -6.1 3.1 1.8 51 84 A F G < S- 0 0 1 -3,-1.7 -1,-0.3 210,-0.1 -2,-0.2 0.517 96.8-138.1 -92.5 -3.4 -5.4 6.4 3.5 52 85 A H < + 0 0 129 -3,-2.5 2,-0.2 -4,-0.3 -3,-0.1 0.942 44.3 161.5 44.9 61.9 -5.8 8.6 0.4 53 86 A L - 0 0 28 -5,-0.4 2,-1.1 -4,-0.1 -1,-0.1 -0.685 51.2 -94.6-108.0 162.8 -2.7 10.8 1.3 54 87 A D > - 0 0 83 -2,-0.2 3,-1.1 1,-0.2 -2,-0.0 -0.681 33.9-169.9 -79.7 101.8 -0.7 13.1 -0.9 55 88 A A T 3 S+ 0 0 73 -2,-1.1 -1,-0.2 1,-0.3 -3,-0.0 0.752 84.5 59.7 -63.8 -24.2 2.2 10.9 -2.0 56 89 A A T 3 S+ 0 0 82 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.732 82.1 106.5 -77.1 -22.0 4.0 13.9 -3.4 57 90 A Y < - 0 0 63 -3,-1.1 -4,-0.0 1,-0.1 0, 0.0 -0.327 58.9-153.5 -62.8 134.8 4.1 15.6 0.0 58 91 A V - 0 0 125 -2,-0.1 3,-0.1 3,-0.0 -1,-0.1 -0.883 15.3-148.4-111.9 97.3 7.5 15.7 1.8 59 92 A P - 0 0 7 0, 0.0 -15,-0.1 0, 0.0 186,-0.0 -0.288 26.7 -93.7 -66.8 151.1 7.0 15.9 5.6 60 93 A S - 0 0 46 1,-0.1 189,-0.1 182,-0.0 181,-0.0 -0.292 22.9-158.9 -61.9 142.8 9.4 17.7 7.8 61 94 A R >> + 0 0 108 -3,-0.1 3,-2.0 2,-0.1 4,-0.6 0.206 41.5 144.4-106.8 12.5 12.2 15.5 9.3 62 95 A E T 34 S+ 0 0 123 1,-0.3 179,-0.1 2,-0.1 -2,-0.0 -0.342 77.4 1.3 -56.0 115.3 12.7 18.1 12.1 63 96 A G T >> S+ 0 0 14 -2,-0.2 4,-1.4 178,-0.0 3,-0.5 0.264 96.9 114.3 89.8 -12.6 13.6 16.2 15.3 64 97 A M H X> S+ 0 0 2 -3,-2.0 4,-0.8 1,-0.2 3,-0.7 0.933 74.9 52.3 -55.5 -51.3 13.4 12.7 13.7 65 98 A D H 3< S+ 0 0 139 -4,-0.6 -1,-0.2 1,-0.3 -3,-0.1 0.766 117.6 38.5 -58.8 -28.6 17.1 12.0 14.2 66 99 A A H <4 S+ 0 0 48 -3,-0.5 -1,-0.3 1,-0.1 -2,-0.2 0.574 93.2 87.6 -98.9 -11.0 16.9 12.9 17.9 67 100 A L H << - 0 0 2 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.1 0.916 67.7-167.5 -53.7 -51.0 13.4 11.3 18.4 68 101 A H < + 0 0 46 -4,-0.8 147,-1.8 1,-0.2 2,-0.3 0.965 33.8 126.9 60.8 60.1 15.0 7.9 19.2 69 102 A I E - g 0 215B 1 145,-0.2 -29,-2.2 147,-0.1 2,-0.3 -0.927 31.0-179.1-139.3 165.2 11.9 5.6 19.1 70 103 A S E -Fg 39 216B 0 145,-2.1 147,-2.8 -2,-0.3 2,-0.3 -0.971 7.8-154.1-156.9 167.3 10.8 2.4 17.4 71 104 A G E +Fg 38 217B 0 -33,-2.5 -33,-2.1 -2,-0.3 2,-0.3 -0.963 17.0 151.3-146.6 163.5 7.9 0.1 17.1 72 105 A S E - g 0 218B 0 145,-0.9 147,-1.1 -2,-0.3 -36,-0.2 -0.974 39.3 -90.4-174.6 174.9 7.0 -3.5 16.3 73 106 A S - 0 0 4 -38,-2.3 148,-0.3 -2,-0.3 147,-0.2 -0.117 66.0 -59.8 -85.8-171.4 4.6 -6.4 16.8 74 107 A A - 0 0 0 146,-2.8 -39,-0.4 -48,-0.2 2,-0.3 -0.189 64.1-165.8 -65.8 168.8 4.9 -9.1 19.5 75 108 A F - 0 0 1 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.965 22.9-107.5-155.0 167.4 8.0 -11.2 19.5 76 109 A T > - 0 0 19 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.530 46.2-102.8 -90.2 162.9 9.9 -14.3 20.7 77 110 A P H > S+ 0 0 33 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.909 124.6 48.5 -54.1 -38.4 12.8 -14.0 23.2 78 111 A A H > S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.902 108.7 51.4 -68.3 -43.0 15.2 -14.4 20.2 79 112 A Q H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.886 108.5 52.7 -63.0 -37.9 13.6 -11.8 18.0 80 113 A L H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.939 105.1 53.8 -63.4 -45.7 13.7 -9.3 20.8 81 114 A K H X S+ 0 0 121 -4,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.859 107.7 52.3 -56.1 -35.2 17.4 -9.8 21.4 82 115 A N H X S+ 0 0 68 -4,-1.6 4,-2.3 -50,-0.2 -1,-0.3 0.878 109.5 48.6 -67.9 -37.4 17.8 -9.1 17.7 83 116 A V H X S+ 0 0 0 -4,-1.7 4,-2.7 -3,-0.2 5,-0.2 0.935 109.4 52.0 -65.5 -47.3 15.9 -5.8 18.1 84 117 A A H X S+ 0 0 8 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.898 110.6 49.1 -56.0 -42.7 18.0 -4.9 21.1 85 118 A A H X S+ 0 0 56 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.947 111.0 48.2 -63.3 -49.7 21.2 -5.4 19.1 86 119 A K H < S+ 0 0 96 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.907 114.7 46.5 -58.2 -42.6 20.0 -3.4 16.1 87 120 A L H >X S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 4,-0.9 0.873 103.3 62.1 -68.9 -37.2 18.9 -0.5 18.4 88 121 A R H 3< S+ 0 0 106 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.792 96.4 60.9 -60.8 -25.6 22.2 -0.6 20.4 89 122 A E T 3< S+ 0 0 174 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.667 107.0 46.7 -74.3 -13.1 24.0 0.3 17.2 90 123 A K T <4 S+ 0 0 98 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.2 0.581 120.0 18.5-103.2 -14.4 21.9 3.5 17.1 91 124 A T < - 0 0 22 -4,-0.9 -1,-0.1 -3,-0.3 4,-0.1 -0.974 44.1-151.3-154.3 165.9 22.3 4.7 20.7 92 125 A A S S+ 0 0 92 -2,-0.3 121,-0.1 120,-0.1 120,-0.1 0.189 73.6 94.0-121.6 9.3 24.3 4.5 24.0 93 126 A G S S- 0 0 4 119,-0.4 2,-0.2 1,-0.1 120,-0.2 -0.361 93.0 -69.1 -93.7 178.2 21.4 5.3 26.2 94 127 A P - 0 0 23 0, 0.0 120,-2.5 0, 0.0 2,-0.6 -0.522 46.4-140.4 -72.5 134.6 19.0 2.9 28.0 95 128 A I E -h 214 0B 3 85,-0.4 87,-2.7 -2,-0.2 2,-0.4 -0.851 17.7-153.3 -96.2 121.6 16.8 1.0 25.6 96 129 A Y E -hi 215 182B 22 118,-3.2 120,-2.6 -2,-0.6 2,-0.9 -0.778 13.1-146.7-101.3 138.3 13.2 0.5 26.9 97 130 A D E -hi 216 183B 0 85,-3.3 87,-1.8 -2,-0.4 2,-1.1 -0.869 19.6-161.5 -96.6 98.3 10.8 -2.2 26.0 98 131 A V E -hi 217 184B 0 118,-2.7 120,-1.6 -2,-0.9 2,-0.8 -0.723 2.3-161.0 -89.8 97.1 7.4 -0.4 26.2 99 132 A D E +hi 218 185B 0 85,-1.8 87,-3.6 -2,-1.1 120,-0.2 -0.684 14.2 177.7 -79.7 107.0 4.8 -3.1 26.5 100 133 A L + 0 0 0 118,-2.2 2,-0.7 -2,-0.8 88,-0.4 0.091 39.6 121.6 -97.9 23.7 1.4 -1.6 25.6 101 134 A R - 0 0 3 1,-0.2 88,-0.2 86,-0.1 4,-0.1 -0.771 36.6-179.9 -97.5 116.2 -0.5 -4.8 26.0 102 135 A Q + 0 0 11 86,-2.0 -1,-0.2 -2,-0.7 87,-0.2 0.819 62.5 92.3 -76.6 -30.8 -3.4 -5.0 28.4 103 136 A E S S- 0 0 0 85,-0.4 2,-0.4 17,-0.2 13,-0.1 -0.320 93.0-101.2 -64.6 144.8 -4.0 -8.6 27.6 104 137 A S + 0 0 1 11,-0.4 11,-3.0 10,-0.0 2,-0.3 -0.537 58.3 157.7 -68.9 125.1 -2.3 -11.1 29.8 105 138 A H E +C 114 0A 1 -2,-0.4 67,-0.3 9,-0.3 2,-0.3 -0.944 7.8 133.6-145.7 166.0 0.8 -12.5 28.0 106 139 A G E -C 113 0A 1 7,-2.4 7,-2.1 -2,-0.3 2,-0.4 -0.893 50.1 -68.4-178.1-152.2 4.1 -14.2 28.6 107 140 A Y E -CD 112 170A 3 63,-2.4 63,-2.3 -2,-0.3 2,-0.6 -0.970 27.5-169.8-137.6 120.0 6.3 -17.0 27.4 108 141 A L E > S-CD 111 169A 0 3,-2.2 3,-2.0 -2,-0.4 61,-0.2 -0.937 86.6 -18.0-107.2 114.7 5.7 -20.7 27.8 109 142 A D T 3 S- 0 0 36 59,-2.6 -1,-0.2 -2,-0.6 60,-0.1 0.873 129.9 -54.5 57.4 34.9 8.8 -22.8 26.9 110 143 A G T 3 S+ 0 0 25 1,-0.2 -1,-0.3 58,-0.2 -32,-0.2 0.421 109.8 129.0 80.5 -2.5 10.0 -19.6 25.1 111 144 A I E < - 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0 0 119 -2,-0.2 3,-1.8 1,-0.1 -1,-0.1 -0.450 40.7-107.3 -77.9 158.6 -1.6 -43.8 8.2 581 300 B D G > S+ 0 0 141 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.844 122.6 54.5 -55.9 -32.6 1.9 -43.0 9.5 582 301 B K G 3 S+ 0 0 141 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.647 112.7 43.3 -76.3 -14.4 0.3 -40.6 12.0 583 302 B D G X S+ 0 0 40 -3,-1.8 3,-1.3 1,-0.1 4,-0.5 -0.021 74.7 114.7-118.5 28.5 -1.9 -43.4 13.3 584 303 B S T < + 0 0 74 -3,-1.1 4,-0.5 1,-0.3 3,-0.4 0.675 66.3 71.0 -72.9 -14.7 0.7 -46.2 13.4 585 304 B W T 3> S+ 0 0 51 1,-0.2 4,-0.5 -3,-0.2 -1,-0.3 0.663 90.3 61.6 -74.0 -14.5 0.3 -46.2 17.2 586 305 B K H <> S+ 0 0 41 -3,-1.3 4,-2.1 1,-0.2 3,-0.4 0.806 82.9 81.7 -78.7 -31.8 -3.1 -47.8 16.7 587 306 B T H > S+ 0 0 27 -4,-0.5 4,-2.2 -3,-0.4 3,-0.5 0.875 93.0 43.0 -41.1 -60.9 -1.8 -50.9 15.0 588 307 B K H > S+ 0 0 100 -4,-0.5 4,-2.2 1,-0.2 -1,-0.3 0.862 112.4 54.3 -62.1 -33.6 -0.8 -52.9 18.1 589 308 B Y H X S+ 0 0 2 -4,-0.5 4,-1.7 -3,-0.4 -1,-0.2 0.843 108.2 49.9 -69.0 -30.8 -4.0 -51.9 19.9 590 309 B Y H X S+ 0 0 47 -4,-2.1 4,-1.4 -3,-0.5 -2,-0.2 0.918 111.8 47.1 -69.4 -45.3 -6.0 -53.3 17.0 591 310 B R H X S+ 0 0 140 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.857 109.9 54.7 -63.1 -36.6 -4.1 -56.6 17.0 592 311 B E H X S+ 0 0 6 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.907 106.1 51.3 -63.6 -42.0 -4.5 -56.8 20.8 593 312 B K H X S+ 0 0 8 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.804 105.5 56.1 -66.3 -30.5 -8.3 -56.4 20.4 594 313 B I H X S+ 0 0 6 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.915 111.2 44.1 -66.7 -40.1 -8.3 -59.3 17.8 595 314 B V H X S+ 0 0 25 -4,-1.6 4,-1.6 1,-0.2 -2,-0.2 0.891 115.0 47.2 -71.3 -41.5 -6.6 -61.5 20.4 596 315 B M H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.2 0.836 103.7 62.1 -72.0 -32.2 -8.8 -60.5 23.3 597 316 B I H X S+ 0 0 1 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.914 108.8 42.6 -58.4 -42.1 -12.0 -60.8 21.3 598 317 B E H X S+ 0 0 100 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.868 111.3 55.8 -71.5 -35.9 -11.3 -64.6 20.9 599 318 B Q H X S+ 0 0 19 -4,-1.6 4,-2.1 1,-0.2 -2,-0.2 0.902 107.5 48.6 -63.2 -40.6 -10.2 -64.8 24.5 600 319 B F H X S+ 0 0 0 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.888 108.5 54.4 -66.9 -37.8 -13.6 -63.4 25.6 601 320 B Y H X S+ 0 0 57 -4,-1.6 4,-2.2 -5,-0.2 -2,-0.2 0.920 108.6 48.9 -59.2 -43.9 -15.3 -65.9 23.3 602 321 B R H X S+ 0 0 103 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.892 107.7 54.6 -63.2 -40.9 -13.4 -68.7 25.0 603 322 B Y H X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.912 109.4 47.9 -59.7 -42.7 -14.4 -67.4 28.5 604 323 B V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.912 112.2 48.5 -64.9 -42.6 -18.0 -67.5 27.5 605 324 B Q H < S+ 0 0 60 -4,-2.2 4,-0.3 1,-0.2 -2,-0.2 0.848 117.0 42.1 -68.1 -33.1 -17.8 -71.0 26.2 606 325 B E H < S+ 0 0 95 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.673 123.6 33.9 -89.3 -17.1 -16.0 -72.3 29.2 607 326 B N H <>S+ 0 0 13 -4,-1.6 5,-2.6 -5,-0.2 6,-0.3 0.499 93.2 82.5-119.2 -3.4 -18.0 -70.5 31.9 608 327 B R T ><5S+ 0 0 103 -4,-1.6 3,-2.0 3,-0.2 -3,-0.1 0.930 84.9 63.0 -66.3 -41.9 -21.6 -70.3 30.6 609 328 B A T 3 5S+ 0 0 101 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.870 109.4 37.7 -51.5 -46.1 -22.4 -73.9 31.8 610 329 B D T 3 5S- 0 0 82 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.327 120.1-105.5 -92.8 12.2 -21.9 -73.2 35.5 611 330 B G T < 5 - 0 0 40 -3,-2.0 -3,-0.2 -4,-0.2 -2,-0.1 0.772 66.2 -64.0 75.0 26.1 -23.4 -69.7 35.2 612 331 B Y < + 0 0 43 -5,-2.6 -1,-0.2 -8,-0.1 -4,-0.1 0.963 67.8 170.6 63.5 55.6 -20.2 -67.7 35.5 613 332 B Q S S+ 0 0 145 -6,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.784 71.9 48.3 -64.4 -27.5 -19.2 -68.7 39.0 614 333 B T S S- 0 0 54 -7,-0.1 -1,-0.1 4,-0.0 -3,-0.0 -0.961 90.7-122.3-119.3 132.9 -15.9 -67.0 38.3 615 334 B P > - 0 0 48 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.237 24.3-109.2 -71.8 159.4 -15.5 -63.5 36.7 616 335 B W H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.882 115.2 54.9 -52.8 -47.6 -13.6 -62.6 33.5 617 336 B S H > S+ 0 0 26 -107,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.887 112.6 42.7 -59.0 -41.3 -10.7 -60.8 35.3 618 337 B V H > S+ 0 0 63 -3,-0.3 4,-1.5 2,-0.2 3,-0.3 0.946 115.8 47.2 -70.6 -48.6 -10.0 -63.9 37.5 619 338 B W H X S+ 0 0 10 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.898 109.6 55.0 -58.9 -41.4 -10.3 -66.4 34.6 620 339 B L H < S+ 0 0 15 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.832 104.0 54.9 -63.1 -33.6 -8.2 -64.2 32.4 621 340 B K H < S+ 0 0 153 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.876 113.9 39.1 -69.5 -36.8 -5.4 -64.2 34.9 622 341 B S H < S+ 0 0 81 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.549 127.0 38.7 -88.2 -8.0 -5.2 -68.0 35.1 623 342 B H S < S- 0 0 58 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 -0.411 85.5-172.8-135.6 57.7 -5.8 -68.2 31.3 624 343 B P - 0 0 84 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.178 25.7-112.5 -56.1 143.1 -3.8 -65.3 29.9 625 344 B A - 0 0 11 -305,-0.4 -305,-0.5 -5,-0.1 2,-0.4 -0.441 26.5-132.1 -75.8 150.6 -4.1 -64.5 26.2 626 345 B K 0 0 178 1,-0.1 -1,-0.0 -31,-0.1 0, 0.0 -0.869 360.0 360.0-109.0 136.9 -1.2 -65.0 23.9 627 346 B A 0 0 112 -2,-0.4 -1,-0.1 -32,-0.0 -32,-0.0 0.958 360.0 360.0 -66.0 360.0 0.1 -62.5 21.3