==== 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 07-MAY-07 2PSZ . 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) . 27985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 399 63.7 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 . 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 . 78 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 27.5 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 0 196 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 158.9 -25.1 14.0 32.0 2 35 A V - 0 0 115 1,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.843 360.0-158.1-100.8 131.0 -22.8 12.0 29.7 3 36 A T S S+ 0 0 126 -2,-0.5 -1,-0.1 1,-0.3 0, 0.0 0.919 81.2 11.9 -73.3 -48.9 -22.1 8.4 30.6 4 37 A E S S- 0 0 52 8,-0.0 -1,-0.3 6,-0.0 3,-0.1 -0.965 76.3-142.5-135.5 120.4 -18.9 8.0 28.6 5 38 A P > - 0 0 64 0, 0.0 3,-2.4 0, 0.0 307,-0.1 -0.306 41.2 -77.6 -77.2 162.3 -16.9 10.8 27.1 6 39 A V T 3 S+ 0 0 22 305,-0.4 305,-0.4 1,-0.3 272,-0.0 -0.341 123.7 37.4 -54.8 136.4 -15.1 10.7 23.8 7 40 A G T 3 S+ 0 0 5 -3,-0.1 -1,-0.3 303,-0.1 3,-0.1 0.217 110.4 65.6 99.5 -14.5 -11.8 8.8 24.3 8 41 A S X + 0 0 15 -3,-2.4 3,-1.8 1,-0.1 4,-0.3 0.073 56.1 123.6-126.7 23.4 -13.5 6.4 26.7 9 42 A Y G > + 0 0 46 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.874 68.4 64.5 -51.8 -43.3 -16.0 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 0.753 85.2 74.8 -55.4 -24.3 -14.6 1.1 25.3 11 44 A R G < S+ 0 0 162 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.705 88.3 61.2 -62.3 -18.6 -15.8 1.7 28.9 12 45 A A G < S+ 0 0 67 -3,-2.5 -1,-0.3 -4,-0.3 -2,-0.2 0.642 85.6 93.8 -82.7 -15.7 -19.3 1.0 27.6 13 46 A E S < S- 0 0 47 -3,-1.8 -3,-0.0 -4,-0.3 0, 0.0 -0.493 82.1-117.2 -77.1 148.9 -18.4 -2.5 26.5 14 47 A R > - 0 0 134 1,-0.2 3,-2.0 -2,-0.2 4,-0.2 -0.773 14.7-155.6 -91.2 114.0 -19.0 -5.5 28.9 15 48 A P G > S+ 0 0 52 0, 0.0 3,-2.5 0, 0.0 109,-0.2 0.859 90.0 66.9 -52.7 -40.5 -15.8 -7.2 30.0 16 49 A Q G 3 S+ 0 0 79 1,-0.3 3,-0.5 2,-0.2 -2,-0.0 0.669 93.8 60.3 -59.3 -16.1 -17.6 -10.5 30.8 17 50 A D G < S+ 0 0 76 -3,-2.0 -1,-0.3 1,-0.2 101,-0.1 0.468 107.2 43.5 -92.2 0.8 -18.4 -10.9 27.1 18 51 A F S < S+ 0 0 14 -3,-2.5 103,-0.2 -4,-0.2 -1,-0.2 0.019 76.5 156.0-132.5 31.6 -14.8 -11.0 26.0 19 52 A E - 0 0 60 -3,-0.5 99,-0.5 98,-0.2 103,-0.2 -0.210 49.6 -96.2 -63.1 147.8 -13.1 -13.3 28.5 20 53 A G E +A 117 0A 12 102,-0.3 97,-0.3 97,-0.2 440,-0.1 -0.232 45.1 164.9 -62.0 149.8 -9.9 -15.2 27.6 21 54 A F E + 0 0 19 95,-2.9 2,-0.3 1,-0.4 441,-0.2 0.423 55.7 31.6-147.4 -3.2 -10.2 -18.8 26.3 22 55 A V E S-A 116 0A 5 94,-1.0 94,-2.7 92,-0.1 2,-1.0 -0.987 72.3-111.8-159.8 147.1 -6.9 -19.8 24.6 23 56 A W E -Ab 115 149A 25 125,-0.9 127,-2.0 -2,-0.3 2,-0.3 -0.738 42.9-150.9 -80.0 104.4 -3.2 -19.3 24.7 24 57 A R E -Ab 114 150A 40 90,-3.1 90,-1.7 -2,-1.0 2,-0.6 -0.611 14.7-119.6 -81.9 136.3 -2.6 -17.4 21.5 25 58 A L E -A 113 0A 45 125,-2.0 127,-0.3 -2,-0.3 88,-0.2 -0.658 24.9-168.1 -72.4 115.4 0.7 -17.8 19.7 26 59 A D S S- 0 0 15 86,-2.6 2,-0.3 -2,-0.6 48,-0.3 0.706 71.0 -0.3 -82.2 -21.3 2.1 -14.2 19.5 27 60 A N - 0 0 16 85,-0.6 -1,-0.3 48,-0.1 48,-0.1 -0.867 55.5-142.1-166.6 132.8 4.9 -14.9 17.0 28 61 A D - 0 0 94 -2,-0.3 47,-0.0 -3,-0.2 -2,-0.0 0.556 38.7-132.7 -77.0 -7.1 6.0 -18.1 15.3 29 62 A G + 0 0 34 1,-0.1 -1,-0.1 4,-0.0 46,-0.0 0.637 67.9 126.3 68.4 17.0 9.6 -17.1 15.6 30 63 A K + 0 0 166 3,-0.0 2,-0.2 2,-0.0 -1,-0.1 0.808 59.7 63.7 -78.6 -26.1 10.5 -17.9 12.0 31 64 A E S S- 0 0 108 2,-0.1 48,-0.1 1,-0.1 4,-0.1 -0.621 83.1-124.8 -98.5 158.3 12.0 -14.4 11.2 32 65 A A S S+ 0 0 65 -2,-0.2 50,-0.2 2,-0.1 51,-0.1 0.809 95.0 32.9 -68.0 -30.1 15.0 -12.8 12.8 33 66 A L S S- 0 0 39 49,-0.1 -2,-0.1 1,-0.1 47,-0.1 -0.848 91.0 -98.6-127.3 160.3 13.0 -9.7 13.8 34 67 A P > - 0 0 1 0, 0.0 3,-0.7 0, 0.0 41,-0.1 -0.266 54.5 -88.0 -68.0 168.8 9.5 -9.0 14.9 35 68 A R T 3 S+ 0 0 104 39,-0.4 38,-2.4 1,-0.2 0, 0.0 -0.382 106.0 20.4 -76.6 159.0 7.0 -7.7 12.3 36 69 A N T 3 S+ 0 0 76 1,-0.2 2,-0.2 36,-0.2 -1,-0.2 0.746 80.5 174.2 55.7 29.4 6.6 -4.0 11.5 37 70 A F < + 0 0 37 -3,-0.7 2,-0.3 35,-0.1 35,-0.2 -0.497 9.2 152.3 -68.6 130.5 10.0 -3.2 13.0 38 71 A R E -F 71 0B 3 33,-1.8 33,-2.2 -2,-0.2 2,-0.3 -0.990 27.8-155.8-156.1 153.7 10.9 0.4 12.4 39 72 A T E > -F 70 0B 1 -2,-0.3 3,-1.8 31,-0.2 31,-0.2 -0.918 33.3-113.7-131.0 160.9 12.9 3.3 13.9 40 73 A S T 3 S+ 0 0 1 29,-2.5 27,-0.2 -2,-0.3 30,-0.1 0.526 114.0 63.5 -69.7 -5.8 12.8 7.1 13.8 41 74 A A T 3 S+ 0 0 49 28,-0.3 -1,-0.3 24,-0.1 24,-0.1 0.495 83.1 110.4 -93.4 -3.1 16.1 7.1 11.9 42 75 A D S < S- 0 0 52 -3,-1.8 2,-0.1 1,-0.1 -4,-0.0 -0.291 76.6-102.7 -73.5 156.7 14.5 5.2 9.0 43 76 A A - 0 0 74 1,-0.1 2,-0.2 210,-0.1 -1,-0.1 -0.431 39.7-108.2 -74.1 147.5 13.9 6.7 5.6 44 77 A L - 0 0 43 -2,-0.1 2,-0.2 15,-0.1 209,-0.2 -0.555 37.2-159.9 -78.0 144.9 10.3 7.7 4.8 45 78 A R - 0 0 163 207,-2.1 209,-0.1 -2,-0.2 -1,-0.0 -0.654 32.8 -69.5-116.5 175.5 8.5 5.5 2.3 46 79 A A - 0 0 86 -2,-0.2 -1,-0.1 1,-0.1 3,-0.1 -0.342 59.3-107.8 -62.0 142.4 5.4 6.0 0.1 47 80 A P - 0 0 15 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.369 37.0 -95.9 -72.7 154.9 2.2 6.1 2.0 48 81 A E > - 0 0 90 1,-0.1 3,-1.8 203,-0.0 5,-0.4 -0.504 28.6-129.4 -70.0 136.6 -0.3 3.2 1.9 49 82 A K G > S+ 0 0 186 1,-0.3 3,-2.6 -2,-0.2 -1,-0.1 0.857 101.6 69.0 -54.3 -40.7 -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 0.709 94.5 57.3 -56.2 -20.7 -5.8 2.9 1.8 51 84 A F G < S- 0 0 2 -3,-1.8 -1,-0.3 210,-0.1 -2,-0.2 0.536 97.7-139.2 -90.2 -3.4 -5.1 6.2 3.7 52 85 A H < + 0 0 127 -3,-2.6 2,-0.1 -4,-0.2 -3,-0.1 0.905 45.0 159.6 48.2 51.8 -5.6 8.3 0.5 53 86 A L - 0 0 33 -5,-0.4 2,-1.0 -4,-0.1 -1,-0.1 -0.424 51.5 -90.5 -98.7 175.6 -2.7 10.6 1.3 54 87 A D > - 0 0 77 1,-0.2 3,-1.5 -2,-0.1 -1,-0.0 -0.754 32.3-170.3 -89.5 99.2 -0.5 12.9 -0.8 55 88 A A T 3 S+ 0 0 76 -2,-1.0 -1,-0.2 1,-0.3 -2,-0.0 0.665 86.4 59.1 -62.7 -17.9 2.4 10.8 -2.0 56 89 A A T 3 S+ 0 0 79 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.705 81.5 107.1 -83.9 -20.4 4.0 14.0 -3.3 57 90 A Y < - 0 0 59 -3,-1.5 -4,-0.0 1,-0.1 0, 0.0 -0.347 59.0-152.9 -64.2 131.8 4.1 15.5 0.2 58 91 A V - 0 0 123 -2,-0.1 -1,-0.1 -14,-0.0 3,-0.1 -0.878 15.3-145.9-108.4 99.1 7.5 15.7 1.8 59 92 A P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -15,-0.1 -0.300 23.3-105.0 -62.6 144.6 7.1 15.6 5.6 60 93 A S - 0 0 46 1,-0.1 189,-0.1 182,-0.1 181,-0.0 -0.476 21.0-157.8 -67.7 143.2 9.6 17.5 7.7 61 94 A R >> + 0 0 83 -2,-0.1 3,-2.4 -3,-0.1 4,-0.5 0.179 38.2 149.7-105.4 14.1 12.1 15.3 9.4 62 95 A E T 34 S+ 0 0 118 1,-0.3 179,-0.1 2,-0.1 -2,-0.1 -0.272 74.1 1.7 -52.6 117.9 12.8 18.0 12.0 63 96 A G T 3> S+ 0 0 13 -2,-0.1 4,-1.0 1,-0.0 -1,-0.3 0.320 97.1 113.1 87.2 -6.6 13.8 16.3 15.3 64 97 A M H <> S+ 0 0 1 -3,-2.4 4,-0.8 1,-0.2 3,-0.3 0.887 71.6 56.4 -66.8 -39.4 13.6 12.7 13.9 65 98 A D H < S+ 0 0 123 -4,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.841 116.9 36.8 -61.7 -31.5 17.4 12.0 14.2 66 99 A A H 4 S+ 0 0 53 -3,-0.3 -1,-0.2 1,-0.1 -2,-0.2 0.556 94.2 88.7 -95.8 -9.8 17.2 12.9 17.9 67 100 A L H < - 0 0 2 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.1 0.931 68.2-166.8 -54.2 -52.2 13.8 11.3 18.5 68 101 A H < + 0 0 45 -4,-0.8 147,-1.9 1,-0.2 2,-0.3 0.962 33.0 129.1 64.1 58.4 15.3 7.8 19.3 69 102 A I E - g 0 215B 2 -5,-0.2 -29,-2.5 145,-0.2 2,-0.3 -0.945 30.4-178.0-138.0 162.1 12.2 5.6 19.2 70 103 A S E -Fg 39 216B 0 145,-2.3 147,-2.6 -2,-0.3 2,-0.3 -0.935 6.9-156.7-149.8 168.2 11.2 2.4 17.5 71 104 A G E +Fg 38 217B 0 -33,-2.2 -33,-1.8 -2,-0.3 2,-0.3 -0.973 16.4 151.9-148.4 161.6 8.2 0.1 17.2 72 105 A S E - g 0 218B 0 145,-1.0 147,-1.1 -2,-0.3 150,-0.2 -0.982 40.0 -88.6-173.8 173.2 7.3 -3.5 16.4 73 106 A S - 0 0 6 -38,-2.4 148,-0.2 -2,-0.3 147,-0.2 -0.149 66.3 -65.5 -80.1-175.5 5.0 -6.4 16.9 74 107 A A - 0 0 1 146,-2.6 -39,-0.4 -48,-0.3 2,-0.3 -0.216 62.3-159.9 -66.5 168.9 5.3 -9.0 19.7 75 108 A F - 0 0 1 -41,-0.1 -48,-0.1 -3,-0.1 -49,-0.1 -0.959 21.9-111.1-152.4 163.3 8.4 -11.2 19.6 76 109 A T > - 0 0 18 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.481 48.1-102.6 -84.7 166.0 10.2 -14.3 20.7 77 110 A P H > S+ 0 0 36 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.909 124.0 51.7 -59.1 -38.2 13.1 -13.9 23.1 78 111 A A H > S+ 0 0 62 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.906 108.4 50.8 -64.2 -41.7 15.6 -14.4 20.2 79 112 A Q H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 108.0 52.6 -62.5 -40.5 13.9 -11.8 18.1 80 113 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.892 106.3 53.6 -63.5 -38.7 14.0 -9.3 21.1 81 114 A K H X S+ 0 0 133 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.892 108.6 49.6 -61.4 -39.7 17.8 -9.9 21.4 82 115 A N H X S+ 0 0 73 -4,-1.8 4,-2.2 -50,-0.2 -1,-0.2 0.891 111.3 49.7 -65.7 -37.6 18.2 -9.1 17.8 83 116 A V H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.966 111.7 47.1 -63.7 -51.3 16.2 -5.9 18.3 84 117 A A H X S+ 0 0 10 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.878 112.2 50.8 -58.4 -40.5 18.2 -4.8 21.3 85 118 A A H X S+ 0 0 60 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.926 111.8 47.9 -63.4 -44.0 21.5 -5.6 19.4 86 119 A K H >< S+ 0 0 86 -4,-2.2 3,-0.8 1,-0.2 4,-0.3 0.924 112.8 46.9 -63.7 -45.8 20.3 -3.5 16.5 87 120 A L H >X S+ 0 0 0 -4,-3.0 3,-1.9 1,-0.2 4,-0.7 0.841 102.2 65.2 -67.4 -31.8 19.2 -0.5 18.6 88 121 A R H 3< S+ 0 0 108 -4,-2.0 3,-0.3 1,-0.3 -1,-0.2 0.755 94.0 60.6 -63.0 -24.0 22.5 -0.6 20.6 89 122 A E T << S+ 0 0 173 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.652 106.5 48.6 -75.8 -12.2 24.3 0.4 17.4 90 123 A K T <4 S+ 0 0 82 -3,-1.9 2,-0.3 -4,-0.3 -2,-0.2 0.546 119.3 17.5-103.5 -10.6 22.2 3.5 17.4 91 124 A T < - 0 0 21 -4,-0.7 -1,-0.2 -3,-0.3 4,-0.1 -0.993 43.1-151.8-159.2 162.2 22.7 4.7 21.0 92 125 A A S S+ 0 0 94 -2,-0.3 120,-0.1 120,-0.1 121,-0.1 0.140 75.2 93.3-119.1 11.8 24.7 4.5 24.2 93 126 A G S S- 0 0 4 119,-0.3 2,-0.2 1,-0.1 120,-0.2 -0.336 93.2 -65.8 -96.7-179.5 21.8 5.4 26.4 94 127 A P - 0 0 21 0, 0.0 120,-2.9 0, 0.0 2,-0.6 -0.506 47.1-143.6 -69.9 139.9 19.3 3.0 28.2 95 128 A I E -h 214 0B 5 85,-0.4 87,-2.4 118,-0.2 2,-0.4 -0.907 16.2-155.2-105.3 116.9 17.1 1.0 25.8 96 129 A Y E -hi 215 182B 24 118,-3.1 120,-2.7 -2,-0.6 2,-1.0 -0.728 15.7-147.6 -99.3 136.5 13.6 0.5 27.0 97 130 A D E -hi 216 183B 0 85,-3.5 87,-2.3 -2,-0.4 2,-1.1 -0.877 20.5-162.1 -91.0 100.7 11.2 -2.3 26.1 98 131 A V E -hi 217 184B 0 118,-2.8 120,-1.7 -2,-1.0 2,-0.7 -0.788 3.5-161.9 -93.0 97.1 7.9 -0.4 26.3 99 132 A D E +hi 218 185B 0 85,-1.5 87,-3.0 -2,-1.1 120,-0.2 -0.705 12.7 179.6 -79.0 110.3 5.3 -3.1 26.6 100 133 A L E + 0 0 0 118,-2.4 88,-1.1 -2,-0.7 2,-0.6 0.237 38.4 120.3-100.3 16.6 1.9 -1.6 25.7 101 134 A R E - i 0 188B 3 86,-0.2 88,-0.2 117,-0.2 4,-0.1 -0.696 36.9-178.1 -94.3 118.5 -0.2 -4.8 26.1 102 135 A Q + 0 0 12 86,-2.0 -1,-0.2 -2,-0.6 87,-0.2 0.804 64.0 94.1 -75.2 -28.9 -3.1 -4.9 28.6 103 136 A E S S- 0 0 1 85,-0.4 2,-0.3 17,-0.1 13,-0.1 -0.327 92.5-101.8 -65.3 144.1 -3.7 -8.5 27.6 104 137 A S + 0 0 2 11,-0.4 11,-2.9 10,-0.0 2,-0.3 -0.523 58.3 157.0 -67.7 126.3 -2.0 -11.1 29.8 105 138 A H E +C 114 0A 1 -2,-0.3 67,-0.4 9,-0.3 2,-0.3 -0.964 7.7 129.1-148.4 166.5 1.1 -12.4 28.0 106 139 A G E -C 113 0A 1 7,-2.5 7,-2.5 -2,-0.3 2,-0.4 -0.893 50.8 -63.4 179.7-149.8 4.4 -14.1 28.6 107 140 A Y E -CD 112 170A 5 63,-2.4 63,-2.6 -2,-0.3 2,-0.6 -0.985 26.5-169.6-138.9 122.9 6.6 -17.0 27.5 108 141 A L E > S-CD 111 169A 0 3,-2.2 3,-1.9 -2,-0.4 61,-0.2 -0.957 87.7 -18.2-109.7 111.6 6.0 -20.7 27.9 109 142 A D T 3 S- 0 0 34 59,-2.8 -1,-0.2 -2,-0.6 60,-0.1 0.877 130.5 -53.2 56.2 36.3 9.1 -22.7 27.1 110 143 A G T 3 S+ 0 0 23 1,-0.3 -1,-0.3 58,-0.2 -32,-0.2 0.342 110.8 127.5 84.6 -8.1 10.4 -19.6 25.3 111 144 A I E < - 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0 0 3 -147,-1.1 -118,-0.1 -2,-0.3 -29,-0.0 -0.324 60.3 -68.9-131.0-143.0 -18.6 -44.3 23.0 534 253 B E S S+ 0 0 15 -147,-0.2 -146,-2.4 -2,-0.2 -119,-0.0 0.954 130.7 14.4 -82.3 -53.7 -17.3 -41.2 21.2 535 254 B A S S- 0 0 57 -148,-0.2 -148,-0.3 -149,-0.0 -1,-0.1 0.707 98.0-126.4 -91.0 -26.2 -17.3 -42.5 17.6 536 255 B G S S+ 0 0 0 -150,-0.2 -149,-0.1 -149,-0.1 -5,-0.0 0.683 84.7 85.7 86.4 21.7 -19.4 -45.6 18.2 537 256 B V S > S+ 0 0 50 3,-0.1 4,-1.9 32,-0.1 33,-0.6 0.769 82.8 31.2-115.4 -72.8 -16.9 -48.1 16.6 538 257 B G H > S+ 0 0 19 2,-0.2 4,-1.8 3,-0.2 32,-0.1 0.982 129.6 23.2 -59.2 -73.5 -14.1 -49.5 18.9 539 258 B R H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.914 122.5 56.7 -64.8 -42.3 -15.5 -49.7 22.4 540 259 B T H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.938 110.3 43.4 -56.2 -48.9 -19.1 -49.8 21.3 541 260 B T H X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.865 108.4 60.1 -67.3 -33.3 -18.6 -52.9 19.1 542 261 B A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.939 110.9 39.2 -59.3 -49.1 -16.4 -54.6 21.8 543 262 B F H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.812 113.1 55.8 -72.2 -31.8 -19.3 -54.6 24.3 544 263 B M H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.941 110.6 46.0 -62.8 -44.8 -21.9 -55.4 21.7 545 264 B V H X S+ 0 0 1 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.927 110.9 51.9 -61.4 -47.0 -19.8 -58.5 20.7 546 265 B M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.903 111.2 48.4 -58.0 -41.2 -19.3 -59.5 24.4 547 266 B T H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.924 109.9 50.8 -65.2 -44.6 -23.1 -59.2 24.9 548 267 B D H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.927 112.6 47.3 -59.8 -43.8 -23.8 -61.3 21.7 549 268 B M H < S+ 0 0 2 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.910 114.1 46.8 -63.4 -45.9 -21.4 -64.0 23.0 550 269 B L H < S+ 0 0 14 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.928 120.5 37.2 -62.5 -46.2 -22.8 -64.1 26.5 551 270 B K H < S+ 0 0 66 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.814 127.8 33.8 -80.9 -30.2 -26.5 -64.2 25.3 552 271 B N >< + 0 0 22 -4,-2.8 3,-2.1 -5,-0.3 -1,-0.2 -0.468 68.0 160.0-124.2 61.4 -26.0 -66.5 22.3 553 272 B P T 3 + 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.616 70.0 62.8 -58.6 -16.4 -23.1 -68.8 23.5 554 273 B S T 3 S+ 0 0 94 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.619 81.6 98.2 -87.5 -10.7 -24.0 -71.5 20.9 555 274 B V S < S- 0 0 5 -3,-2.1 -3,-0.1 -7,-0.2 5,-0.0 -0.560 83.4-107.7 -77.2 139.1 -23.2 -69.1 17.9 556 275 B S > - 0 0 47 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.210 20.6-118.2 -65.0 154.5 -19.7 -69.6 16.4 557 276 B L H > S+ 0 0 43 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 115.6 54.3 -57.2 -42.8 -17.0 -67.0 17.0 558 277 B K H > S+ 0 0 94 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 108.6 47.7 -59.8 -42.6 -17.0 -66.3 13.2 559 278 B D H > S+ 0 0 18 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.901 110.9 50.3 -68.5 -41.4 -20.7 -65.6 13.0 560 279 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.957 114.6 44.3 -59.0 -49.5 -20.7 -63.3 16.0 561 280 B L H X S+ 0 0 8 -4,-2.5 4,-1.3 1,-0.2 11,-0.3 0.907 116.0 45.8 -64.5 -44.5 -17.8 -61.2 14.6 562 281 B Y H X S+ 0 0 14 -4,-2.4 4,-3.2 -5,-0.2 -1,-0.2 0.921 115.5 46.3 -65.5 -43.7 -19.2 -61.1 11.0 563 282 B R H X S+ 0 0 0 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.879 110.1 50.8 -71.8 -37.3 -22.7 -60.2 12.1 564 283 B Q H <>S+ 0 0 0 -4,-2.6 5,-1.4 -5,-0.3 -1,-0.2 0.831 116.7 44.4 -67.8 -27.4 -21.7 -57.5 14.6 565 284 B H H ><5S+ 0 0 6 -4,-1.3 3,-2.0 -5,-0.3 4,-0.3 0.929 110.0 53.5 -76.8 -46.0 -19.6 -56.0 11.8 566 285 B E H 3<5S+ 0 0 11 -4,-3.2 -207,-2.8 1,-0.3 -2,-0.2 0.646 101.4 58.7 -70.3 -14.6 -22.2 -56.4 9.1 567 286 B I T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -209,-0.2 -214,-0.2 0.449 136.8 -77.5 -89.0 0.7 -24.9 -54.6 11.1 568 287 B G T < 5S+ 0 0 18 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.2 0.532 94.7 110.7 123.5 8.2 -22.6 -51.6 11.2 569 288 B G S - 0 0 154 -2,-0.3 3,-2.8 1,-0.1 4,-0.1 -0.428 43.9-109.1 -66.0 148.7 -1.5 -44.1 8.5 581 300 B D G > S+ 0 0 154 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.871 122.1 53.6 -47.7 -41.4 2.1 -43.5 9.5 582 301 B K G 3 S+ 0 0 129 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.609 110.6 48.3 -72.0 -9.9 0.9 -40.9 12.0 583 302 B D G X S+ 0 0 36 -3,-2.8 3,-1.8 1,-0.1 4,-0.5 0.091 71.8 116.7-113.9 21.1 -1.4 -43.6 13.5 584 303 B S G X + 0 0 78 -3,-1.5 3,-0.8 1,-0.3 4,-0.4 0.728 64.5 72.0 -62.6 -20.7 1.2 -46.4 13.7 585 304 B W G 3 S+ 0 0 49 1,-0.2 4,-0.5 -3,-0.2 3,-0.3 0.776 90.2 60.8 -65.4 -23.2 0.8 -46.4 17.5 586 305 B K G X> S+ 0 0 41 -3,-1.8 4,-2.1 1,-0.2 3,-0.7 0.776 82.0 84.3 -73.9 -27.2 -2.7 -48.0 17.0 587 306 B T H <> S+ 0 0 38 -3,-0.8 4,-2.1 -4,-0.5 3,-0.2 0.864 91.9 42.5 -45.6 -54.5 -1.3 -51.1 15.3 588 307 B K H 3> S+ 0 0 75 -4,-0.4 4,-2.3 -3,-0.3 -1,-0.3 0.791 111.9 55.3 -69.7 -25.8 -0.4 -53.1 18.5 589 308 B Y H <> S+ 0 0 2 -3,-0.7 4,-2.1 -4,-0.5 -1,-0.2 0.849 107.8 49.3 -73.2 -33.1 -3.6 -52.1 20.2 590 309 B Y H X S+ 0 0 53 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.911 112.3 48.0 -67.0 -44.6 -5.6 -53.5 17.2 591 310 B R H X S+ 0 0 134 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.905 110.4 52.5 -61.1 -42.4 -3.6 -56.7 17.4 592 311 B E H X S+ 0 0 6 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.912 106.6 52.7 -61.1 -43.9 -4.2 -56.9 21.1 593 312 B K H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.897 105.4 55.0 -60.5 -40.1 -8.0 -56.5 20.6 594 313 B I H X S+ 0 0 17 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.925 112.6 42.1 -60.3 -43.3 -8.0 -59.4 18.1 595 314 B V H X S+ 0 0 22 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.906 114.5 50.3 -71.1 -39.9 -6.4 -61.8 20.7 596 315 B M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.881 104.3 58.3 -67.3 -36.9 -8.5 -60.6 23.6 597 316 B I H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.907 108.3 47.1 -55.7 -43.8 -11.7 -61.0 21.7 598 317 B E H X S+ 0 0 64 -4,-1.2 4,-2.1 -5,-0.2 -1,-0.2 0.877 110.1 52.9 -66.0 -39.0 -10.7 -64.7 21.2 599 318 B Q H X S+ 0 0 11 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.875 107.6 50.9 -65.4 -39.6 -9.9 -65.0 25.0 600 319 B F H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.893 108.1 52.6 -65.0 -39.5 -13.3 -63.6 26.0 601 320 B Y H X S+ 0 0 54 -4,-1.7 4,-2.5 -5,-0.2 -2,-0.2 0.926 110.1 48.7 -61.3 -42.7 -15.0 -66.1 23.7 602 321 B R H X S+ 0 0 93 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.905 108.9 53.7 -62.0 -42.1 -13.0 -68.8 25.5 603 322 B Y H X S+ 0 0 2 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.939 110.7 45.7 -58.5 -48.1 -13.9 -67.5 28.9 604 323 B V H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.932 114.0 48.7 -60.6 -46.7 -17.7 -67.6 28.0 605 324 B Q H < S+ 0 0 57 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.891 116.8 42.0 -62.4 -39.3 -17.4 -71.1 26.5 606 325 B E H < S+ 0 0 112 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.698 124.3 33.6 -83.8 -18.9 -15.5 -72.4 29.6 607 326 B N H <>S+ 0 0 13 -4,-1.8 5,-2.3 -5,-0.2 4,-0.3 0.445 92.0 85.2-119.0 -0.6 -17.5 -70.7 32.3 608 327 B R T ><5S+ 0 0 97 -4,-1.7 3,-2.3 1,-0.2 -3,-0.1 0.964 83.3 62.0 -65.5 -47.0 -21.1 -70.5 31.1 609 328 B A T 3 5S+ 0 0 101 -4,-0.4 -1,-0.2 1,-0.3 -2,-0.1 0.801 107.6 41.5 -50.9 -38.6 -22.0 -74.1 32.3 610 329 B D T 3 5S- 0 0 77 -3,-0.2 -1,-0.3 -4,-0.1 -2,-0.2 0.386 120.6-101.1 -96.6 9.7 -21.5 -73.3 36.0 611 330 B G T < 5 - 0 0 41 -3,-2.3 -3,-0.2 -4,-0.3 -2,-0.1 0.784 64.3 -71.8 83.0 26.6 -23.1 -69.9 36.0 612 331 B Y < + 0 0 42 -5,-2.3 -1,-0.2 1,-0.1 -4,-0.1 0.927 69.7 166.9 54.7 53.4 -19.8 -67.8 35.9 613 332 B Q + 0 0 150 -6,-0.3 -1,-0.1 1,-0.1 -2,-0.1 0.693 68.7 52.5 -72.6 -15.3 -18.8 -68.6 39.4 614 333 B T S S- 0 0 55 -7,-0.1 -1,-0.1 4,-0.0 -3,-0.0 -0.986 91.2-127.7-119.2 128.6 -15.3 -67.2 38.6 615 334 B P > - 0 0 57 0, 0.0 4,-2.5 0, 0.0 5,-0.2 -0.232 22.4-106.5 -74.9 163.5 -15.1 -63.7 37.0 616 335 B W H > S+ 0 0 2 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.893 116.0 54.8 -51.8 -50.4 -13.2 -62.7 33.9 617 336 B S H > S+ 0 0 23 -107,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.910 112.3 43.5 -56.2 -45.4 -10.4 -60.9 35.7 618 337 B V H > S+ 0 0 71 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.928 115.8 47.0 -66.0 -46.8 -9.6 -64.0 37.8 619 338 B W H X S+ 0 0 13 -4,-2.5 4,-1.4 1,-0.2 3,-0.3 0.910 109.7 54.8 -62.1 -42.4 -9.9 -66.4 34.9 620 339 B L H < S+ 0 0 15 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 104.2 54.2 -61.2 -36.5 -7.7 -64.2 32.6 621 340 B K H < S+ 0 0 167 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.862 114.2 40.4 -68.9 -30.3 -4.9 -64.2 35.2 622 341 B S H < S+ 0 0 77 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.631 125.6 38.5 -89.7 -13.9 -4.8 -68.0 35.2 623 342 B H S < S- 0 0 75 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.1 -0.494 85.7-171.5-130.7 60.4 -5.3 -68.2 31.4 624 343 B P - 0 0 84 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.160 22.0-118.8 -56.3 146.2 -3.2 -65.3 30.1 625 344 B A - 0 0 12 -305,-0.4 -305,-0.5 -5,-0.1 2,-0.4 -0.479 24.9-141.6 -81.5 157.6 -3.6 -64.4 26.5 626 345 B K 0 0 134 -2,-0.1 -1,-0.0 1,-0.1 0, 0.0 -0.942 360.0 360.0-125.0 147.1 -0.6 -64.6 24.1 627 346 B A 0 0 124 -2,-0.4 -1,-0.1 -32,-0.0 -32,-0.0 0.942 360.0 360.0 -59.1 360.0 0.5 -62.4 21.3