==== 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 06-MAY-08 3D1Q . 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) . 27937.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 64.1 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 . 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 . 1 0.2 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 . 81 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 171 27.3 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 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 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 0 186 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.4 -24.7 14.4 31.7 2 35 A V - 0 0 108 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.672 360.0-145.4 -92.8 143.3 -23.0 11.9 29.4 3 36 A T S S+ 0 0 129 -2,-0.3 -1,-0.1 1,-0.3 0, 0.0 0.920 87.2 14.0 -72.3 -47.5 -22.2 8.4 30.5 4 37 A E S S- 0 0 54 8,-0.0 -1,-0.3 6,-0.0 3,-0.1 -0.976 77.7-141.2-133.3 122.5 -18.9 7.9 28.6 5 38 A P > - 0 0 59 0, 0.0 3,-2.3 0, 0.0 307,-0.1 -0.344 41.6 -78.0 -77.6 159.5 -17.0 10.9 27.0 6 39 A V T 3 S+ 0 0 22 305,-0.5 305,-0.4 1,-0.3 272,-0.0 -0.311 123.2 38.8 -52.4 138.4 -15.2 10.7 23.7 7 40 A G T 3 S+ 0 0 6 -3,-0.1 -1,-0.3 303,-0.1 3,-0.1 0.220 110.2 64.2 98.5 -14.3 -11.9 8.8 24.2 8 41 A S X + 0 0 17 -3,-2.3 3,-1.7 1,-0.1 4,-0.3 0.046 56.3 124.9-127.1 25.8 -13.6 6.3 26.6 9 42 A Y G > + 0 0 50 1,-0.3 3,-2.4 2,-0.2 4,-0.3 0.897 68.5 64.6 -53.4 -40.4 -16.1 4.6 24.3 10 43 A A G > S+ 0 0 14 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.739 84.6 74.3 -57.3 -24.1 -14.6 1.2 25.2 11 44 A R G < S+ 0 0 162 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.707 88.6 62.6 -62.1 -18.1 -15.8 1.7 28.9 12 45 A A G < S+ 0 0 68 -3,-2.4 -1,-0.3 -4,-0.3 -2,-0.2 0.659 84.5 93.6 -81.4 -16.6 -19.3 1.0 27.6 13 46 A E S < S- 0 0 48 -3,-1.7 3,-0.1 -4,-0.3 -3,-0.0 -0.437 82.5-114.7 -77.6 153.6 -18.4 -2.6 26.5 14 47 A R > - 0 0 131 1,-0.2 3,-2.1 -2,-0.1 4,-0.2 -0.769 15.9-155.8 -90.8 113.3 -19.1 -5.5 28.8 15 48 A P G > S+ 0 0 52 0, 0.0 3,-2.4 0, 0.0 109,-0.2 0.880 90.2 65.8 -53.6 -40.2 -15.9 -7.3 29.9 16 49 A Q G > S+ 0 0 76 1,-0.3 3,-0.5 2,-0.2 -2,-0.0 0.690 93.7 60.6 -60.4 -15.3 -17.7 -10.5 30.6 17 50 A D G < S+ 0 0 74 -3,-2.1 -1,-0.3 1,-0.2 101,-0.1 0.484 107.2 43.6 -92.2 2.4 -18.5 -10.9 26.9 18 51 A F G < S+ 0 0 12 -3,-2.4 -1,-0.2 -4,-0.2 103,-0.2 0.021 77.0 156.1-131.5 31.1 -14.8 -11.1 25.9 19 52 A E < - 0 0 65 -3,-0.5 99,-0.5 98,-0.2 103,-0.2 -0.247 50.0 -94.5 -65.0 146.0 -13.2 -13.3 28.4 20 53 A G + 0 0 12 102,-0.4 97,-0.3 97,-0.2 440,-0.1 -0.169 45.8 164.4 -56.9 146.4 -10.0 -15.2 27.5 21 54 A F + 0 0 21 95,-3.0 2,-0.3 1,-0.4 441,-0.2 0.480 55.5 28.3-143.8 -9.0 -10.3 -18.8 26.2 22 55 A V E S-A 116 0A 7 94,-1.2 94,-2.7 92,-0.1 2,-1.0 -0.997 72.1-109.8-156.6 152.6 -7.0 -19.8 24.6 23 56 A W E -Ab 115 149A 22 125,-1.0 127,-2.3 -2,-0.3 2,-0.3 -0.758 42.5-152.1 -82.6 104.3 -3.3 -19.3 24.6 24 57 A R E -Ab 114 150A 35 90,-3.4 90,-1.8 -2,-1.0 2,-0.6 -0.607 14.9-121.2 -81.0 139.1 -2.7 -17.5 21.4 25 58 A L E -A 113 0A 43 125,-1.9 127,-0.3 -2,-0.3 88,-0.2 -0.737 23.8-167.8 -76.9 116.7 0.7 -17.8 19.6 26 59 A D S S+ 0 0 17 86,-2.7 48,-0.3 -2,-0.6 2,-0.3 0.714 71.3 2.0 -83.1 -21.8 2.0 -14.2 19.4 27 60 A N - 0 0 17 85,-0.6 -1,-0.3 48,-0.1 48,-0.1 -0.891 57.4-141.3-162.2 133.7 4.8 -15.0 16.9 28 61 A D - 0 0 92 -2,-0.3 47,-0.0 -3,-0.1 -2,-0.0 0.529 39.0-130.8 -78.1 -2.0 5.9 -18.2 15.2 29 62 A G S S+ 0 0 32 1,-0.1 -1,-0.1 4,-0.0 46,-0.0 0.562 70.6 123.3 68.6 10.9 9.6 -17.3 15.6 30 63 A K + 0 0 158 2,-0.0 2,-0.2 3,-0.0 -1,-0.1 0.831 59.3 63.2 -78.3 -28.5 10.5 -18.0 12.0 31 64 A E S S- 0 0 110 2,-0.2 4,-0.0 1,-0.1 48,-0.0 -0.596 83.1-123.9 -94.4 158.4 11.9 -14.5 11.1 32 65 A A S S+ 0 0 64 -2,-0.2 50,-0.2 2,-0.0 51,-0.1 0.815 94.8 33.6 -67.9 -28.8 15.0 -12.8 12.7 33 66 A L S S- 0 0 38 49,-0.1 -2,-0.2 1,-0.1 47,-0.1 -0.833 91.1 -98.6-127.1 161.6 13.0 -9.8 13.7 34 67 A P > - 0 0 2 0, 0.0 3,-0.7 0, 0.0 41,-0.1 -0.328 54.8 -88.4 -69.3 169.4 9.4 -9.1 14.9 35 68 A R T 3 S+ 0 0 119 39,-0.4 38,-2.4 1,-0.2 0, 0.0 -0.388 106.3 20.0 -75.2 156.9 7.0 -7.8 12.2 36 69 A N T 3 S+ 0 0 77 36,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.752 79.9 172.8 56.9 28.8 6.6 -4.0 11.5 37 70 A F < + 0 0 38 -3,-0.7 2,-0.3 35,-0.1 35,-0.2 -0.492 9.6 152.4 -67.7 128.6 10.0 -3.3 13.0 38 71 A R E -F 71 0B 3 33,-1.9 33,-2.2 -2,-0.3 2,-0.3 -0.990 28.1-154.0-154.6 155.2 10.8 0.3 12.3 39 72 A T E > -F 70 0B 3 -2,-0.3 3,-1.9 31,-0.2 31,-0.3 -0.918 32.9-114.0-131.1 161.3 12.9 3.2 13.9 40 73 A S T 3 S+ 0 0 1 29,-2.7 27,-0.2 -2,-0.3 30,-0.1 0.465 114.4 64.4 -71.7 0.1 12.7 7.0 13.8 41 74 A A T 3 S+ 0 0 50 28,-0.3 -1,-0.3 25,-0.1 24,-0.1 0.469 82.2 110.3 -95.7 -5.2 16.0 6.9 11.9 42 75 A D S < S- 0 0 39 -3,-1.9 2,-0.1 1,-0.1 3,-0.0 -0.282 76.5-104.0 -73.7 157.3 14.4 5.2 8.9 43 76 A A - 0 0 59 1,-0.1 2,-0.3 210,-0.1 -1,-0.1 -0.421 40.8-108.5 -71.8 149.3 13.8 6.7 5.5 44 77 A L - 0 0 44 -2,-0.1 2,-0.2 15,-0.1 209,-0.2 -0.603 36.9-158.9 -81.2 144.5 10.3 7.6 4.8 45 78 A R - 0 0 143 207,-2.3 209,-0.1 -2,-0.3 -1,-0.0 -0.732 32.1 -70.0-117.8 172.6 8.4 5.5 2.3 46 79 A A - 0 0 83 -2,-0.2 -1,-0.1 1,-0.1 9,-0.1 -0.208 59.5-106.3 -55.3 145.0 5.4 6.0 0.0 47 80 A P - 0 0 13 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.357 36.5 -96.5 -74.7 157.0 2.1 6.1 2.0 48 81 A E > - 0 0 92 1,-0.1 3,-1.7 -2,-0.0 5,-0.4 -0.545 30.2-128.0 -71.8 137.2 -0.3 3.1 1.9 49 82 A K G > S+ 0 0 185 1,-0.3 3,-2.7 -2,-0.2 -1,-0.1 0.860 101.6 69.5 -54.5 -39.9 -3.0 3.7 -0.7 50 83 A K G 3 S+ 0 0 120 1,-0.3 -1,-0.3 2,-0.1 -2,-0.0 0.747 94.0 56.8 -56.2 -22.7 -5.9 3.0 1.8 51 84 A F G < S- 0 0 2 -3,-1.7 -1,-0.3 210,-0.1 -2,-0.2 0.542 97.6-139.4 -88.7 -1.3 -5.1 6.2 3.6 52 85 A H < + 0 0 120 -3,-2.7 2,-0.2 -4,-0.3 -3,-0.1 0.921 44.0 160.6 45.9 54.7 -5.6 8.4 0.5 53 86 A L - 0 0 30 -5,-0.4 2,-1.0 -4,-0.1 -1,-0.1 -0.511 51.2 -92.7 -99.8 171.8 -2.7 10.6 1.3 54 87 A D > - 0 0 76 -2,-0.2 3,-1.1 1,-0.2 -1,-0.0 -0.752 32.2-168.9 -87.1 102.7 -0.6 12.9 -0.9 55 88 A A T 3 S+ 0 0 74 -2,-1.0 -1,-0.2 1,-0.3 -3,-0.0 0.679 85.9 60.7 -64.4 -17.8 2.4 10.7 -2.0 56 89 A A T 3 S+ 0 0 78 -3,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.781 80.9 105.7 -80.3 -25.4 4.0 13.9 -3.4 57 90 A Y < - 0 0 62 -3,-1.1 -4,-0.0 1,-0.1 0, 0.0 -0.267 60.2-151.2 -59.4 133.3 4.1 15.5 0.1 58 91 A V - 0 0 124 -14,-0.0 -1,-0.1 3,-0.0 2,-0.1 -0.904 15.1-145.6-108.7 104.8 7.5 15.6 1.7 59 92 A P - 0 0 8 0, 0.0 -15,-0.1 0, 0.0 2,-0.1 -0.383 24.7-104.0 -67.8 142.5 7.1 15.6 5.6 60 93 A S - 0 0 46 1,-0.1 189,-0.1 -2,-0.1 181,-0.0 -0.414 21.9-157.8 -62.4 143.1 9.6 17.5 7.6 61 94 A R > + 0 0 83 -3,-0.1 3,-2.5 -2,-0.1 4,-0.5 0.233 40.8 146.3-103.6 10.2 12.1 15.3 9.3 62 95 A E T 3 S+ 0 0 122 1,-0.3 179,-0.1 2,-0.1 -2,-0.0 -0.272 73.1 5.5 -52.5 121.2 12.8 17.9 11.9 63 96 A G T 3> S+ 0 0 15 -2,-0.1 4,-0.7 178,-0.0 3,-0.3 0.289 97.4 111.8 87.7 -6.6 13.6 16.2 15.3 64 97 A M H X> S+ 0 0 0 -3,-2.5 4,-0.7 1,-0.2 3,-0.5 0.882 71.0 54.9 -69.9 -36.3 13.6 12.7 13.9 65 98 A D H 34 S+ 0 0 124 -4,-0.5 -1,-0.2 1,-0.3 3,-0.1 0.812 116.8 37.8 -68.9 -27.8 17.4 11.9 14.3 66 99 A A H 34 S+ 0 0 55 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.465 94.5 88.4 -96.4 -4.4 17.2 12.8 18.0 67 100 A L H << - 0 0 2 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.1 0.932 68.2-166.6 -60.7 -48.3 13.8 11.2 18.5 68 101 A H < + 0 0 46 -4,-0.7 147,-2.0 1,-0.2 2,-0.3 0.963 33.0 129.9 62.4 58.8 15.2 7.8 19.3 69 102 A I E + g 0 215B 2 -5,-0.2 -29,-2.7 145,-0.2 2,-0.3 -0.949 29.0 178.9-137.7 161.7 12.1 5.6 19.1 70 103 A S E -Fg 39 216B 0 145,-2.3 147,-2.8 -2,-0.3 2,-0.3 -0.935 7.5-157.5-150.4 171.1 11.1 2.3 17.4 71 104 A G E +Fg 38 217B 0 -33,-2.2 -33,-1.9 -2,-0.3 2,-0.3 -0.978 15.5 152.8-152.4 161.5 8.2 -0.0 17.2 72 105 A S E - g 0 218B 0 145,-1.0 147,-1.1 -2,-0.3 -36,-0.2 -0.974 40.2 -87.4-172.6 174.8 7.3 -3.6 16.3 73 106 A S - 0 0 6 -38,-2.4 148,-0.3 -2,-0.3 147,-0.2 -0.154 66.6 -66.4 -80.4-176.7 4.9 -6.5 16.8 74 107 A A - 0 0 2 146,-2.7 -39,-0.4 -48,-0.3 2,-0.3 -0.234 61.4-161.6 -67.5 167.0 5.3 -9.1 19.6 75 108 A F - 0 0 0 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.930 22.4-108.5-148.8 167.3 8.4 -11.3 19.5 76 109 A T > - 0 0 18 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.497 48.8-101.9 -85.6 166.1 10.1 -14.4 20.6 77 110 A P H > S+ 0 0 30 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.925 124.2 51.3 -59.8 -39.5 13.0 -14.0 23.1 78 111 A A H > S+ 0 0 63 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.895 108.6 51.5 -64.0 -38.0 15.6 -14.5 20.3 79 112 A Q H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.893 107.2 52.9 -64.7 -38.5 13.8 -11.9 18.2 80 113 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.904 106.7 52.6 -64.8 -38.8 13.9 -9.4 21.1 81 114 A K H X S+ 0 0 99 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.888 108.5 50.9 -62.8 -37.4 17.7 -9.9 21.4 82 115 A N H X S+ 0 0 70 -4,-1.8 4,-2.1 -50,-0.2 -1,-0.2 0.895 110.8 49.1 -66.0 -37.1 18.1 -9.2 17.7 83 116 A V H X S+ 0 0 0 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.958 110.8 49.2 -64.2 -49.1 16.1 -6.0 18.2 84 117 A A H X S+ 0 0 8 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.884 110.7 50.9 -59.1 -39.0 18.2 -4.9 21.2 85 118 A A H X S+ 0 0 61 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.906 111.7 47.5 -65.5 -42.6 21.4 -5.5 19.3 86 119 A K H >< S+ 0 0 95 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.950 113.3 46.9 -62.6 -49.3 20.2 -3.5 16.4 87 120 A L H >X S+ 0 0 0 -4,-3.1 3,-2.4 1,-0.2 4,-0.6 0.870 103.1 64.0 -63.3 -33.5 19.1 -0.6 18.6 88 121 A R H >< S+ 0 0 108 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.788 93.5 62.6 -61.0 -27.2 22.4 -0.7 20.5 89 122 A E T << S+ 0 0 166 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.612 105.9 46.9 -73.0 -7.7 24.2 0.3 17.3 90 123 A K T <4 S+ 0 0 95 -3,-2.4 2,-0.3 -4,-0.3 -1,-0.2 0.512 117.6 22.0-111.0 -7.8 22.2 3.5 17.3 91 124 A T << - 0 0 22 -4,-0.6 -1,-0.2 -3,-0.6 4,-0.1 -0.992 44.0-152.4-157.1 160.1 22.6 4.7 20.9 92 125 A A S S+ 0 0 96 -2,-0.3 3,-0.1 120,-0.1 120,-0.1 0.215 75.3 94.0-114.9 7.4 24.6 4.5 24.1 93 126 A G S S- 0 0 4 119,-0.4 120,-0.2 1,-0.2 2,-0.1 -0.295 92.4 -69.7 -92.7 179.0 21.7 5.3 26.3 94 127 A P - 0 0 21 0, 0.0 120,-2.8 0, 0.0 2,-0.6 -0.496 45.7-141.2 -71.5 144.2 19.3 2.9 28.1 95 128 A I E -h 214 0B 5 85,-0.4 87,-2.3 118,-0.2 2,-0.4 -0.912 16.5-155.4-105.5 120.0 17.0 0.9 25.7 96 129 A Y E -hi 215 182B 25 118,-3.0 120,-2.7 -2,-0.6 2,-0.9 -0.784 14.8-146.3-102.1 135.0 13.5 0.4 27.0 97 130 A D E -hi 216 183B 0 85,-3.5 87,-2.1 -2,-0.4 2,-1.0 -0.876 20.6-161.6 -89.0 104.7 11.1 -2.3 26.0 98 131 A V E -hi 217 184B 0 118,-2.9 120,-1.7 -2,-0.9 2,-0.7 -0.809 3.6-162.4 -96.8 97.6 7.8 -0.4 26.3 99 132 A D E +hi 218 185B 0 85,-1.6 87,-3.0 -2,-1.0 120,-0.2 -0.694 13.1 178.9 -80.7 108.3 5.1 -3.2 26.5 100 133 A L E + 0 0 0 118,-2.5 88,-1.2 -2,-0.7 2,-0.7 0.275 38.3 121.7 -96.9 16.7 1.8 -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 -0.659 36.4-178.4 -91.6 115.6 -0.3 -4.8 26.0 102 135 A Q + 0 0 14 86,-2.4 -1,-0.2 -2,-0.7 87,-0.2 0.834 64.0 93.9 -72.3 -30.3 -3.1 -4.9 28.5 103 136 A E S S- 0 0 2 85,-0.4 2,-0.3 17,-0.1 13,-0.1 -0.328 92.7-102.8 -63.8 142.5 -3.8 -8.5 27.5 104 137 A S + 0 0 1 11,-0.3 11,-2.7 10,-0.0 2,-0.3 -0.513 58.2 157.1 -66.3 125.4 -2.0 -11.1 29.8 105 138 A H E +C 114 0A 2 -2,-0.3 67,-0.4 9,-0.2 2,-0.3 -0.959 8.3 130.0-147.4 169.1 1.0 -12.4 28.0 106 139 A G E -C 113 0A 1 7,-2.4 7,-2.4 -2,-0.3 2,-0.4 -0.901 50.6 -62.8 177.0-150.9 4.3 -14.1 28.5 107 140 A Y E -CD 112 170A 4 63,-2.4 63,-2.4 -2,-0.3 2,-0.6 -0.981 26.7-168.2-138.5 122.4 6.5 -17.0 27.4 108 141 A L E > S-CD 111 169A 0 3,-2.4 3,-2.5 -2,-0.4 61,-0.2 -0.945 87.2 -19.8-108.6 115.3 5.9 -20.7 27.8 109 142 A D T 3 S- 0 0 37 59,-2.8 -1,-0.2 -2,-0.6 60,-0.1 0.916 130.9 -52.2 50.5 40.2 9.0 -22.8 27.1 110 143 A G T 3 S+ 0 0 25 58,-0.2 -1,-0.3 1,-0.2 -32,-0.2 0.408 111.0 127.8 82.0 -6.0 10.3 -19.7 25.2 111 144 A I E < - 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0 0 3 -147,-1.1 -118,-0.1 -2,-0.3 -29,-0.0 -0.276 59.7 -68.6-129.0-138.1 -18.7 -44.3 22.9 534 253 B E S S+ 0 0 10 -147,-0.2 -146,-2.5 -2,-0.1 -119,-0.0 0.942 130.4 15.7 -87.4 -56.5 -17.4 -41.2 21.0 535 254 B A S S- 0 0 57 -148,-0.2 -148,-0.3 -3,-0.0 -1,-0.0 0.746 98.7-126.6 -85.5 -29.2 -17.3 -42.5 17.4 536 255 B G S S+ 0 0 0 -150,-0.2 -149,-0.1 -149,-0.1 -5,-0.0 0.660 84.7 85.6 89.3 19.7 -19.5 -45.5 18.0 537 256 B V S > S+ 0 0 52 3,-0.1 4,-2.2 32,-0.1 33,-0.6 0.785 82.4 31.3-113.5 -75.2 -17.0 -48.0 16.5 538 257 B G H > S+ 0 0 18 2,-0.2 4,-1.8 3,-0.2 32,-0.1 0.967 128.7 24.5 -56.3 -73.8 -14.2 -49.5 18.7 539 258 B R H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.924 122.3 55.9 -63.6 -44.9 -15.6 -49.7 22.3 540 259 B T H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.936 110.2 43.7 -54.3 -52.2 -19.2 -49.9 21.2 541 260 B T H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.877 108.8 59.5 -65.2 -34.7 -18.7 -52.9 19.0 542 261 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 -1,-0.2 0.940 111.3 39.4 -57.8 -46.7 -16.5 -54.6 21.6 543 262 B F H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.820 113.2 55.1 -74.9 -31.0 -19.3 -54.6 24.2 544 263 B M H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.945 110.4 46.8 -63.2 -45.1 -21.9 -55.4 21.6 545 264 B V H X S+ 0 0 1 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.941 111.2 51.8 -60.6 -46.7 -19.9 -58.5 20.6 546 265 B M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.901 110.5 48.1 -57.9 -43.6 -19.4 -59.5 24.3 547 266 B T H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.888 111.0 50.8 -63.7 -39.5 -23.2 -59.3 24.8 548 267 B D H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.910 111.7 47.4 -65.4 -43.2 -23.8 -61.4 21.7 549 268 B M H < S+ 0 0 1 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.921 114.7 47.1 -64.0 -43.3 -21.4 -64.0 22.8 550 269 B L H < S+ 0 0 11 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.924 120.2 36.5 -65.2 -45.3 -22.9 -64.0 26.3 551 270 B K H < S+ 0 0 67 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.833 127.7 34.8 -81.7 -29.2 -26.5 -64.2 25.2 552 271 B N >< + 0 0 24 -4,-2.9 3,-2.0 -5,-0.3 -1,-0.2 -0.441 67.1 159.7-123.9 60.3 -26.0 -66.5 22.2 553 272 B P T 3 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.633 70.1 61.6 -56.5 -18.0 -23.2 -68.8 23.3 554 273 B S T 3 S+ 0 0 100 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.652 81.2 97.0 -88.1 -11.5 -24.0 -71.5 20.7 555 274 B V S < S- 0 0 7 -3,-2.0 -3,-0.1 -7,-0.2 5,-0.0 -0.529 85.0-106.7 -73.7 139.2 -23.3 -69.2 17.7 556 275 B S > - 0 0 46 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.225 21.5-116.9 -66.0 158.0 -19.8 -69.6 16.2 557 276 B L H > S+ 0 0 41 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.922 115.9 54.4 -57.2 -45.3 -17.2 -67.0 16.8 558 277 B K H > S+ 0 0 93 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.899 108.4 48.8 -57.8 -41.4 -17.0 -66.3 13.1 559 278 B D H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.894 110.0 49.9 -69.2 -41.0 -20.7 -65.7 12.9 560 279 B I H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.954 114.6 45.1 -61.2 -46.5 -20.7 -63.3 15.9 561 280 B L H X S+ 0 0 6 -4,-2.5 4,-1.5 2,-0.2 11,-0.3 0.913 115.4 45.6 -65.0 -46.3 -17.9 -61.3 14.4 562 281 B Y H X S+ 0 0 14 -4,-2.7 4,-3.5 -5,-0.2 -1,-0.2 0.931 115.2 47.4 -63.6 -46.1 -19.3 -61.1 10.9 563 282 B R H X S+ 0 0 0 -4,-2.6 4,-1.4 -5,-0.2 6,-0.2 0.894 109.9 50.0 -70.0 -36.9 -22.8 -60.2 12.0 564 283 B Q H <>S+ 0 0 0 -4,-2.5 5,-1.5 -5,-0.3 -1,-0.2 0.872 117.0 44.7 -68.7 -28.1 -21.8 -57.5 14.5 565 284 B H H ><5S+ 0 0 6 -4,-1.5 3,-2.2 -5,-0.3 4,-0.4 0.945 109.8 53.5 -73.4 -48.3 -19.7 -56.1 11.7 566 285 B E H 3<5S+ 0 0 11 -4,-3.5 -207,-2.9 1,-0.3 -2,-0.2 0.655 101.1 59.4 -68.4 -15.5 -22.3 -56.4 9.0 567 286 B I T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -209,-0.2 -2,-0.1 0.383 136.4 -78.8 -89.4 6.7 -25.0 -54.5 11.0 568 287 B G T < 5S+ 0 0 41 -3,-2.2 -3,-0.2 1,-0.3 -2,-0.2 0.541 95.0 113.3 116.2 8.2 -22.6 -51.5 11.0 569 288 B G S - 0 0 138 -2,-0.3 3,-2.1 1,-0.1 4,-0.1 -0.486 42.9-108.3 -70.4 154.4 -1.6 -44.2 8.2 581 300 B D G > S+ 0 0 152 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.855 121.8 55.8 -52.0 -40.3 2.0 -43.5 9.5 582 301 B K G 3 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.672 112.4 44.8 -67.6 -15.4 0.7 -40.8 11.8 583 302 B D G X S+ 0 0 46 -3,-2.1 3,-2.3 1,-0.1 4,-0.4 0.175 73.7 115.6-111.0 12.5 -1.5 -43.6 13.3 584 303 B S G X + 0 0 76 -3,-1.5 3,-1.1 1,-0.3 4,-0.4 0.771 64.8 72.8 -58.8 -23.0 1.1 -46.4 13.6 585 304 B W G 3 S+ 0 0 53 1,-0.2 4,-0.4 -4,-0.2 -1,-0.3 0.767 89.9 61.7 -62.3 -20.2 0.7 -46.3 17.4 586 305 B K G X> S+ 0 0 45 -3,-2.3 4,-2.1 1,-0.2 3,-0.7 0.777 82.2 83.6 -74.8 -26.4 -2.7 -48.0 16.9 587 306 B T H <> S+ 0 0 38 -3,-1.1 4,-2.1 -4,-0.4 3,-0.3 0.875 91.1 43.2 -48.0 -56.6 -1.3 -51.1 15.2 588 307 B K H 3> S+ 0 0 79 -4,-0.4 4,-2.2 -3,-0.2 -1,-0.3 0.814 112.0 55.6 -66.1 -24.9 -0.4 -53.1 18.4 589 308 B Y H <> S+ 0 0 2 -3,-0.7 4,-2.1 -4,-0.4 -1,-0.2 0.860 106.8 49.9 -74.9 -32.8 -3.7 -52.1 20.0 590 309 B Y H X S+ 0 0 41 -4,-2.1 4,-2.0 -3,-0.3 -2,-0.2 0.903 112.2 47.4 -65.7 -46.5 -5.7 -53.5 17.0 591 310 B R H X S+ 0 0 132 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.914 110.1 53.4 -59.6 -44.8 -3.7 -56.8 17.2 592 311 B E H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.924 107.0 51.6 -56.9 -46.6 -4.3 -56.9 21.0 593 312 B K H X S+ 0 0 8 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.906 106.7 53.8 -59.4 -42.4 -8.1 -56.5 20.5 594 313 B I H X S+ 0 0 3 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.922 112.8 43.5 -59.4 -42.2 -8.1 -59.5 18.0 595 314 B V H X S+ 0 0 25 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.888 114.4 49.1 -70.6 -36.8 -6.4 -61.7 20.5 596 315 B M H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.894 104.3 59.3 -72.4 -35.8 -8.6 -60.6 23.5 597 316 B I H X S+ 0 0 3 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.927 108.5 45.4 -54.5 -46.0 -11.8 -61.0 21.5 598 317 B E H X S+ 0 0 64 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.912 111.6 52.4 -64.8 -42.4 -10.8 -64.7 21.1 599 318 B Q H X S+ 0 0 17 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.870 108.1 50.2 -63.8 -38.0 -9.9 -65.0 24.8 600 319 B F H X S+ 0 0 1 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.897 108.0 54.3 -68.5 -36.6 -13.2 -63.6 25.9 601 320 B Y H X S+ 0 0 49 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.939 108.4 49.0 -60.1 -45.2 -15.0 -66.1 23.6 602 321 B R H X S+ 0 0 112 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.918 108.5 54.6 -60.2 -42.2 -13.0 -68.9 25.4 603 322 B Y H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.951 110.1 45.3 -55.4 -51.7 -14.0 -67.5 28.8 604 323 B V H X S+ 0 0 0 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.906 114.6 48.4 -58.6 -43.0 -17.7 -67.6 27.9 605 324 B Q H < S+ 0 0 62 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.897 116.6 42.1 -69.2 -36.3 -17.4 -71.1 26.5 606 325 B E H < S+ 0 0 113 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.717 124.1 33.3 -83.2 -18.5 -15.5 -72.4 29.5 607 326 B N H <>S+ 0 0 13 -4,-2.0 5,-2.3 -5,-0.3 6,-0.3 0.466 91.7 83.3-120.4 -0.0 -17.6 -70.7 32.2 608 327 B R T ><5S+ 0 0 98 -4,-1.5 3,-2.3 -5,-0.2 -3,-0.1 0.948 84.0 62.5 -70.9 -39.1 -21.1 -70.5 31.1 609 328 B A T 3 5S+ 0 0 104 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.829 107.8 42.5 -56.1 -35.2 -22.1 -74.0 32.2 610 329 B D T 3 5S- 0 0 82 -4,-0.2 -1,-0.3 -3,-0.1 -2,-0.2 0.396 121.0-104.1 -94.7 9.7 -21.4 -73.3 35.8 611 330 B G T < 5 - 0 0 46 -3,-2.3 -3,-0.2 -4,-0.2 -2,-0.1 0.789 65.6 -68.0 80.1 24.7 -23.1 -69.9 35.8 612 331 B Y < + 0 0 37 -5,-2.3 -1,-0.2 -8,-0.1 -4,-0.1 0.935 68.9 169.5 59.5 51.8 -19.9 -67.9 35.8 613 332 B Q S S+ 0 0 147 -6,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.778 71.2 48.6 -62.2 -28.1 -18.8 -68.8 39.4 614 333 B T S S- 0 0 55 -7,-0.1 -1,-0.1 4,-0.0 2,-0.0 -0.963 90.8-126.0-116.9 131.5 -15.4 -67.2 38.5 615 334 B P > - 0 0 57 0, 0.0 4,-2.6 0, 0.0 3,-0.3 -0.266 24.5-105.9 -75.5 161.4 -15.1 -63.7 36.9 616 335 B W H > S+ 0 0 1 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.886 115.7 55.0 -49.6 -49.0 -13.3 -62.7 33.7 617 336 B S H > S+ 0 0 30 -107,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.909 112.4 42.7 -58.6 -44.4 -10.4 -60.9 35.5 618 337 B V H > S+ 0 0 79 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.931 115.9 47.7 -66.5 -48.2 -9.6 -64.0 37.6 619 338 B W H X S+ 0 0 11 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.920 110.0 53.1 -60.7 -43.8 -9.9 -66.4 34.8 620 339 B L H < S+ 0 0 16 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.893 105.1 55.6 -57.9 -42.4 -7.8 -64.2 32.5 621 340 B K H < S+ 0 0 167 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.853 113.0 41.3 -57.3 -37.9 -5.1 -64.2 35.1 622 341 B S H < S+ 0 0 74 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.685 124.4 37.7 -82.3 -18.0 -5.1 -68.0 35.0 623 342 B H S < S- 0 0 70 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.632 83.8-167.3-129.7 62.0 -5.4 -68.2 31.2 624 343 B P - 0 0 87 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.354 20.1-122.8 -58.2 141.5 -3.3 -65.3 29.9 625 344 B A - 0 0 9 -305,-0.4 -305,-0.5 -5,-0.1 2,-0.4 -0.403 26.1-141.1 -75.8 158.7 -3.7 -64.5 26.3 626 345 B K 0 0 165 1,-0.1 -1,-0.0 -31,-0.1 0, 0.0 -0.972 360.0 360.0-129.8 145.2 -0.7 -64.6 24.1 627 346 B A 0 0 124 -2,-0.4 -1,-0.1 -32,-0.0 -2,-0.0 0.913 360.0 360.0 -55.0 360.0 0.5 -62.4 21.2