==== 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 ISOMERASE 06-JAN-11 3Q88 . COMPND 2 MOLECULE: GLUCOSE-6-PHOSPHATE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FRANCISELLA TULARENSIS SUBSP. TULARENS . AUTHOR J.OSIPIUK,N.MALTSEVA,J.HASSEMAN,W.F.ANDERSON,A.JOACHIMIAK,CE . 541 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25530.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 396 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 29 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 69 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 39.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 4 1 1 4 0 3 1 1 0 2 0 2 0 0 1 0 3 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 2 0 1 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 . 4 1 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 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 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 -1 A N 0 0 221 0, 0.0 3,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 22.3 70.1 75.3 12.3 2 0 A A - 0 0 55 1,-0.1 63,-0.1 492,-0.1 2,-0.0 -0.361 360.0 -83.0 -66.8 154.0 68.6 72.9 9.8 3 1 A M - 0 0 55 61,-0.1 2,-0.7 1,-0.1 -1,-0.1 -0.328 42.2-125.1 -54.4 137.0 68.5 73.9 6.2 4 2 A L - 0 0 76 1,-0.2 3,-0.2 -3,-0.1 489,-0.1 -0.809 24.5-175.3 -90.6 114.3 65.6 76.2 5.2 5 3 A F S S+ 0 0 3 -2,-0.7 2,-1.7 487,-0.6 5,-0.2 0.951 77.5 54.0 -72.7 -51.7 63.7 74.7 2.3 6 4 A a S S+ 0 0 20 486,-0.1 -1,-0.2 4,-0.1 2,-0.2 -0.582 83.6 140.0 -88.7 80.2 61.2 77.5 1.7 7 5 A D S > S- 0 0 51 -2,-1.7 4,-1.9 -3,-0.2 3,-0.3 -0.494 70.6 -85.9-113.9-178.7 63.7 80.3 1.3 8 6 A D H > S+ 0 0 144 1,-0.2 4,-0.8 2,-0.2 -2,-0.0 0.859 123.7 61.0 -56.5 -40.4 64.1 83.4 -1.0 9 7 A S H >4 S+ 0 0 51 2,-0.2 3,-0.7 1,-0.2 4,-0.4 0.909 107.2 43.3 -50.5 -51.2 65.8 81.3 -3.6 10 8 A K H >> S+ 0 0 3 -3,-0.3 3,-2.3 -5,-0.2 4,-0.7 0.959 107.1 57.9 -62.5 -51.5 62.7 79.0 -4.1 11 9 A K H 3< S+ 0 0 86 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.689 110.2 48.0 -55.7 -16.7 60.2 81.9 -4.0 12 10 A Y T X< S+ 0 0 120 -4,-0.8 3,-1.0 -3,-0.7 -1,-0.3 0.425 86.6 80.0-106.6 -8.9 62.2 83.3 -7.1 13 11 A L G X4 S+ 0 0 1 -3,-2.3 3,-1.5 -4,-0.4 -2,-0.2 0.737 83.5 72.3 -66.6 -24.0 62.5 80.0 -9.2 14 12 A K G >< S+ 0 0 90 -4,-0.7 3,-2.2 1,-0.3 4,-0.2 0.782 77.8 74.8 -56.2 -33.7 58.9 81.0 -10.2 15 13 A E G < S+ 0 0 125 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.555 71.7 82.9 -67.2 -10.7 60.4 83.9 -12.2 16 14 A Q G < S- 0 0 89 -3,-1.5 -1,-0.3 -4,-0.1 -2,-0.2 0.723 88.7-148.7 -59.0 -19.4 61.4 81.4 -14.9 17 15 A N < - 0 0 135 -3,-2.2 -2,-0.1 1,-0.2 -3,-0.1 0.908 13.9-151.8 49.1 54.0 57.8 81.7 -16.0 18 16 A I - 0 0 8 -4,-0.2 2,-0.5 31,-0.2 -1,-0.2 -0.321 12.1-164.6 -60.2 129.7 57.6 78.2 -17.3 19 17 A N > - 0 0 41 -3,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.980 6.5-156.8-112.8 113.6 55.1 77.8 -20.1 20 18 A L H > S+ 0 0 0 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.895 90.6 52.7 -61.1 -44.7 54.3 74.1 -20.6 21 19 A K H > S+ 0 0 55 404,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.937 111.8 47.5 -53.9 -47.6 53.2 74.3 -24.2 22 20 A N H > S+ 0 0 93 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 110.3 52.9 -63.5 -41.0 56.5 76.1 -25.1 23 21 A E H X S+ 0 0 21 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.933 110.8 44.4 -62.1 -48.3 58.6 73.6 -23.2 24 22 A F H < S+ 0 0 58 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.845 114.9 50.9 -64.1 -35.0 57.1 70.5 -25.0 25 23 A D H < S+ 0 0 133 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.882 120.8 32.1 -65.6 -42.4 57.4 72.3 -28.4 26 24 A K H < S+ 0 0 151 -4,-2.3 2,-0.7 1,-0.2 -2,-0.2 0.696 112.1 60.9 -96.0 -19.0 61.0 73.3 -27.9 27 25 A D >< - 0 0 24 -4,-2.2 3,-1.8 -5,-0.2 4,-0.2 -0.853 53.5-176.3-115.2 97.3 62.5 70.4 -25.9 28 26 A D T 3 S+ 0 0 150 -2,-0.7 4,-0.2 1,-0.3 3,-0.1 0.577 86.5 54.8 -73.8 0.3 62.2 67.0 -27.6 29 27 A K T 3> S+ 0 0 103 1,-0.1 4,-2.6 2,-0.1 -1,-0.3 0.194 72.2 113.4-112.2 19.5 63.6 65.3 -24.5 30 28 A R H <> S+ 0 0 3 -3,-1.8 4,-1.9 1,-0.2 -1,-0.1 0.908 79.9 42.3 -55.7 -47.7 61.1 66.7 -22.1 31 29 A V H 4 S+ 0 0 58 -4,-0.2 -1,-0.2 2,-0.2 14,-0.2 0.927 113.8 51.7 -68.9 -46.6 59.4 63.4 -21.2 32 30 A E H >4 S+ 0 0 131 1,-0.2 3,-0.7 -4,-0.2 -1,-0.2 0.912 114.3 44.6 -54.7 -42.9 62.7 61.5 -21.0 33 31 A K H 3< S+ 0 0 74 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 119.9 40.0 -68.2 -39.7 64.1 64.2 -18.6 34 32 A F T 3< S+ 0 0 2 -4,-1.9 11,-2.1 -5,-0.2 12,-0.4 -0.178 102.2 73.8-118.0 42.4 60.9 64.4 -16.4 35 33 A S E < -A 44 0A 21 -3,-0.7 2,-0.3 9,-0.2 9,-0.2 -0.975 51.8-171.1-146.0 154.2 59.7 60.8 -16.1 36 34 A L E -A 43 0A 22 7,-2.2 7,-3.4 -2,-0.3 2,-0.4 -0.958 11.0-143.6-140.1 159.2 60.9 57.8 -14.2 37 35 A K E -A 42 0A 169 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.989 10.7-175.8-126.6 138.1 60.1 54.1 -14.0 38 36 A H E > -A 41 0A 19 3,-2.7 3,-2.6 -2,-0.4 2,-0.1 -0.930 68.6 -62.3-129.9 109.5 60.0 51.7 -11.1 39 37 A Q T 3 S- 0 0 108 -2,-0.4 -1,-0.1 1,-0.3 0, 0.0 -0.357 122.6 -12.8 48.4-118.7 59.2 48.1 -12.3 40 38 A N T 3 S+ 0 0 111 -2,-0.1 428,-1.0 -3,-0.1 2,-0.5 0.142 115.9 98.9-100.9 20.7 55.8 48.5 -13.9 41 39 A I E < -AB 38 467A 7 -3,-2.6 -3,-2.7 426,-0.2 2,-0.5 -0.929 56.6-159.8-101.1 127.6 55.0 51.9 -12.5 42 40 A Y E -AB 37 466A 74 424,-2.6 424,-3.0 -2,-0.5 2,-0.6 -0.959 2.2-162.8-107.6 122.4 55.6 54.9 -14.9 43 41 A F E -AB 36 465A 1 -7,-3.4 -7,-2.2 -2,-0.5 2,-0.7 -0.928 7.1-174.8-110.4 104.2 55.9 58.2 -13.1 44 42 A D E +AB 35 464A 22 420,-2.9 420,-2.6 -2,-0.6 -9,-0.2 -0.886 19.0 158.0-108.0 103.6 55.4 61.1 -15.6 45 43 A Y > + 0 0 2 -11,-2.1 3,-1.5 -2,-0.7 -10,-0.2 0.139 41.2 111.0-106.1 19.1 56.0 64.5 -13.9 46 44 A S T 3 + 0 0 1 -12,-0.4 4,-0.2 1,-0.3 -1,-0.1 0.699 66.9 64.1 -75.5 -17.5 56.7 66.3 -17.2 47 45 A K T 3 S+ 0 0 29 415,-0.5 415,-0.9 -3,-0.2 -1,-0.3 0.238 82.3 110.2 -85.5 14.1 53.5 68.4 -17.1 48 46 A N S < S- 0 0 3 -3,-1.5 2,-2.4 413,-0.3 412,-0.0 -0.576 87.3-103.1 -86.2 156.0 54.9 70.1 -14.0 49 47 A L S S+ 0 0 5 -2,-0.2 2,-0.3 264,-0.1 -31,-0.2 -0.393 84.6 108.8 -78.9 64.7 56.0 73.8 -14.0 50 48 A I - 0 0 0 -2,-2.4 2,-0.3 -4,-0.2 -16,-0.0 -0.894 41.2-179.3-134.3 158.3 59.6 72.9 -14.0 51 49 A N > - 0 0 23 -2,-0.3 4,-2.5 -33,-0.1 5,-0.3 -0.810 54.9 -77.0-139.1-168.9 62.6 72.9 -16.3 52 50 A D H > S+ 0 0 88 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.914 128.0 50.5 -58.8 -45.6 66.2 71.8 -15.8 53 51 A Y H > S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.922 112.7 45.2 -62.4 -43.0 67.2 74.9 -13.7 54 52 A I H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.934 113.8 48.9 -68.5 -45.0 64.2 74.6 -11.3 55 53 A L H X S+ 0 0 17 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.936 111.0 51.5 -62.9 -41.5 64.6 70.8 -10.8 56 54 A K H X S+ 0 0 128 -4,-2.6 4,-2.2 -5,-0.3 -1,-0.2 0.909 109.3 49.2 -58.6 -43.5 68.4 71.3 -10.2 57 55 A S H X S+ 0 0 11 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.941 113.0 47.6 -62.3 -47.7 67.7 73.9 -7.6 58 56 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.919 111.2 49.5 -58.2 -47.0 65.2 71.7 -5.9 59 57 A L H X S+ 0 0 23 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.855 107.0 57.4 -62.5 -34.6 67.5 68.6 -6.0 60 58 A E H X S+ 0 0 79 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.884 104.4 51.3 -61.1 -40.8 70.3 70.8 -4.5 61 59 A S H X S+ 0 0 10 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.924 111.7 47.0 -61.1 -44.5 68.0 71.6 -1.5 62 60 A A H >< S+ 0 0 1 -4,-1.9 3,-0.5 1,-0.2 5,-0.4 0.931 113.5 48.4 -61.6 -48.0 67.4 67.9 -1.0 63 61 A E H 3< S+ 0 0 116 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.824 112.8 47.8 -62.2 -34.2 71.2 67.1 -1.3 64 62 A K H 3< S+ 0 0 152 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.661 102.3 83.4 -79.2 -17.4 72.0 69.9 1.2 65 63 A S S << S- 0 0 19 -4,-1.1 3,-0.4 -3,-0.5 4,-0.2 -0.063 95.5-103.2 -78.2 179.3 69.4 68.7 3.6 66 64 A S S > S+ 0 0 44 425,-0.2 4,-2.9 1,-0.2 3,-0.3 0.359 89.2 110.0 -81.4 5.4 69.6 66.0 6.3 67 65 A L H > S+ 0 0 0 -5,-0.4 4,-2.5 1,-0.2 5,-0.2 0.866 70.7 52.7 -54.6 -47.0 67.6 63.7 4.0 68 66 A K H > S+ 0 0 122 -3,-0.4 4,-1.5 -6,-0.4 -1,-0.2 0.942 116.1 41.6 -55.3 -46.7 70.3 61.2 3.1 69 67 A D H > S+ 0 0 86 -3,-0.3 4,-2.7 -4,-0.2 -2,-0.2 0.905 112.3 54.5 -64.7 -43.5 71.0 60.7 6.8 70 68 A K H X S+ 0 0 66 -4,-2.9 4,-2.5 2,-0.2 -2,-0.2 0.853 103.9 55.0 -64.3 -36.4 67.4 60.6 7.8 71 69 A I H X S+ 0 0 8 -4,-2.5 4,-2.2 -5,-0.2 5,-0.2 0.962 111.3 44.7 -60.5 -47.7 66.6 57.8 5.3 72 70 A K H X S+ 0 0 113 -4,-1.5 4,-2.3 -5,-0.2 -2,-0.2 0.912 112.8 51.9 -61.5 -42.3 69.3 55.7 6.8 73 71 A Q H <>S+ 0 0 65 -4,-2.7 5,-2.4 2,-0.2 4,-0.5 0.881 108.2 51.2 -62.8 -40.9 68.1 56.5 10.3 74 72 A M H ><5S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 14,-0.3 0.977 114.5 41.9 -60.3 -52.4 64.5 55.6 9.5 75 73 A F H 3<5S+ 0 0 30 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.816 113.0 53.9 -68.5 -31.6 65.5 52.1 8.1 76 74 A N T 3<5S- 0 0 114 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.433 116.1-110.2 -80.5 -6.3 68.0 51.5 10.9 77 75 A G T < 5 + 0 0 8 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.728 57.6 162.1 84.1 21.1 65.5 52.1 13.7 78 76 A A < - 0 0 37 -5,-2.4 2,-2.3 -6,-0.2 10,-0.5 -0.368 55.4 -98.8 -66.8 156.2 66.9 55.3 15.1 79 77 A K + 0 0 119 1,-0.2 8,-0.2 8,-0.2 6,-0.2 -0.392 61.5 153.5 -81.1 67.4 64.4 57.3 17.2 80 78 A I + 0 0 19 -2,-2.3 2,-1.6 -7,-0.2 -1,-0.2 0.661 56.9 80.7 -74.8 -17.2 63.3 59.7 14.5 81 79 A N B >>S+F 86 0B 6 5,-2.5 5,-2.2 -3,-0.2 4,-0.6 -0.733 70.1 177.0 -81.1 88.9 60.0 60.2 16.2 82 80 A S T 45 + 0 0 35 -2,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.735 64.1 54.3 -78.4 -27.4 61.8 62.6 18.4 83 81 A T T 45S+ 0 0 54 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.792 120.1 33.3 -82.3 -23.3 59.0 63.9 20.6 84 82 A E T 45S- 0 0 41 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.344 105.8-125.6-105.6 0.7 57.9 60.4 21.6 85 83 A H T <5 + 0 0 135 -4,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.942 64.0 137.8 50.4 52.4 61.4 59.0 21.6 86 84 A R B < -F 81 0B 73 -5,-2.2 -5,-2.5 -7,-0.2 -1,-0.2 -0.965 55.9-120.0-126.9 147.0 60.3 56.2 19.2 87 85 A A - 0 0 9 -2,-0.3 2,-0.4 -8,-0.2 -8,-0.2 -0.290 21.8-137.8 -70.9 165.0 61.6 54.4 16.1 88 86 A V + 0 0 6 -10,-0.5 3,-0.2 -14,-0.3 -11,-0.2 -0.886 37.6 156.4-135.2 95.5 59.5 54.6 12.9 89 87 A L >> + 0 0 0 170,-2.4 3,-0.8 -2,-0.4 4,-0.8 -0.045 23.9 125.5-130.1 30.9 59.6 51.1 11.4 90 88 A H H >> S+ 0 0 0 169,-0.3 3,-1.1 1,-0.2 4,-0.5 0.884 78.3 65.2 -54.9 -32.4 56.6 50.5 9.2 91 89 A T H >4 S+ 0 0 5 1,-0.3 3,-1.3 -3,-0.2 4,-0.3 0.887 94.0 58.1 -55.9 -38.1 59.2 49.7 6.6 92 90 A A H X4 S+ 0 0 3 -3,-0.8 3,-1.0 1,-0.3 -1,-0.3 0.790 91.0 70.2 -67.3 -23.1 60.3 46.7 8.7 93 91 A L H << S+ 0 0 3 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.765 111.3 31.1 -63.6 -26.5 56.7 45.2 8.5 94 92 A R T << S+ 0 0 1 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.200 88.4 144.4-116.3 13.6 57.3 44.4 4.8 95 93 A D < + 0 0 27 -3,-1.0 -3,-0.1 -4,-0.3 193,-0.1 -0.254 19.9 168.1 -62.0 139.7 61.0 43.8 4.8 96 94 A L + 0 0 101 192,-0.1 -1,-0.1 195,-0.1 -4,-0.0 0.327 63.9 82.0-122.5 -3.7 62.4 41.1 2.4 97 95 A S S S- 0 0 47 2,-0.1 -2,-0.1 1,-0.1 -1,-0.0 0.795 75.6-153.7 -70.4 -33.0 66.2 42.0 2.8 98 96 A S + 0 0 95 1,-0.2 3,-0.1 11,-0.0 -1,-0.1 0.677 34.7 158.8 60.6 21.9 66.6 40.1 6.1 99 97 A T - 0 0 69 1,-0.1 -1,-0.2 10,-0.0 10,-0.1 -0.349 54.0 -80.5 -65.7 155.4 69.4 42.4 7.1 100 98 A P + 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.304 55.7 169.0 -60.9 135.3 70.3 42.6 10.7 101 99 A L + 0 0 13 -3,-0.1 7,-2.2 2,-0.0 8,-0.6 -0.833 7.1 171.3-152.9 106.3 67.9 44.9 12.7 102 100 A I E +G 107 0C 124 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.989 9.8 174.6-120.2 119.2 67.9 45.0 16.6 103 101 A V E > -G 106 0C 11 3,-2.3 3,-2.0 -2,-0.5 -26,-0.1 -0.993 66.4 -13.0-133.2 123.8 65.9 47.8 18.1 104 102 A D T 3 S- 0 0 134 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.901 129.8 -52.5 57.2 41.6 65.1 48.3 21.7 105 103 A G T 3 S+ 0 0 75 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.317 114.5 113.7 78.2 -6.2 66.5 44.8 22.5 106 104 A Q E < S-G 103 0C 61 -3,-2.0 -3,-2.3 4,-0.0 2,-1.1 -0.786 70.1-129.1-103.2 142.9 64.3 43.0 19.9 107 105 A D E > -G 102 0C 60 -2,-0.4 4,-2.6 -5,-0.2 -5,-0.2 -0.762 26.4-163.6 -82.9 102.3 65.3 41.2 16.8 108 106 A I H > S+ 0 0 0 -7,-2.2 4,-2.9 -2,-1.1 5,-0.3 0.875 84.6 56.3 -63.4 -35.2 62.9 43.1 14.5 109 107 A R H > S+ 0 0 42 -8,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.935 112.7 41.8 -62.9 -45.3 63.2 40.5 11.7 110 108 A Q H > S+ 0 0 96 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.919 114.5 51.2 -64.9 -43.6 62.2 37.7 14.1 111 109 A E H X S+ 0 0 50 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.908 114.3 43.1 -61.8 -49.2 59.4 39.7 15.7 112 110 A V H X S+ 0 0 9 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.938 116.2 47.1 -65.6 -49.3 57.9 40.6 12.4 113 111 A T H X S+ 0 0 90 -4,-2.3 4,-2.1 -5,-0.3 -2,-0.2 0.913 112.1 49.0 -59.6 -43.8 58.2 37.1 10.8 114 112 A K H X S+ 0 0 130 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.908 110.9 50.0 -67.0 -39.0 56.8 35.3 13.9 115 113 A E H X S+ 0 0 6 -4,-1.9 4,-2.2 -5,-0.2 5,-0.2 0.910 109.3 52.0 -67.6 -38.3 53.8 37.6 14.1 116 114 A K H X S+ 0 0 35 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.917 107.0 53.2 -61.0 -40.0 53.1 37.1 10.3 117 115 A Q H X S+ 0 0 86 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.905 108.4 50.9 -65.0 -36.7 53.2 33.4 10.8 118 116 A R H X S+ 0 0 51 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.895 112.1 45.1 -64.5 -44.4 50.6 33.8 13.6 119 117 A V H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.913 112.0 52.9 -66.6 -41.2 48.2 35.9 11.5 120 118 A K H X S+ 0 0 48 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.925 109.8 48.4 -58.6 -43.2 48.7 33.5 8.6 121 119 A E H X S+ 0 0 102 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.873 110.6 51.3 -66.4 -38.1 47.7 30.5 10.8 122 120 A L H X S+ 0 0 5 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.964 111.4 47.1 -62.5 -50.5 44.7 32.4 12.2 123 121 A V H X S+ 0 0 4 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.928 114.1 47.2 -59.3 -44.2 43.4 33.1 8.7 124 122 A E H X S+ 0 0 86 -4,-2.5 4,-2.8 1,-0.2 6,-0.3 0.891 111.1 51.5 -64.4 -38.8 44.0 29.5 7.5 125 123 A K H <>S+ 0 0 83 -4,-2.3 6,-2.4 2,-0.2 5,-1.3 0.898 115.7 41.5 -67.2 -38.6 42.3 28.1 10.6 126 124 A V H ><5S+ 0 0 2 -4,-2.4 3,-0.9 4,-0.2 13,-0.3 0.941 117.5 45.6 -73.1 -46.6 39.2 30.3 10.0 127 125 A V H 3<5S+ 0 0 61 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.899 112.4 51.4 -66.7 -38.7 39.0 29.9 6.2 128 126 A S T 3<5S- 0 0 66 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.588 113.9-115.9 -70.6 -16.0 39.5 26.1 6.4 129 127 A G T < 5S+ 0 0 6 -3,-0.9 -3,-0.2 -4,-0.4 -4,-0.1 0.576 84.9 118.6 85.0 7.7 36.7 25.7 8.9 130 128 A R < + 0 0 160 -5,-1.3 2,-0.5 -6,-0.3 -4,-0.2 0.841 64.5 72.0 -69.6 -35.7 39.0 24.5 11.7 131 129 A W S S- 0 0 11 -6,-2.4 8,-0.7 -9,-0.1 2,-0.3 -0.731 72.7-177.0 -74.9 124.6 38.0 27.6 13.7 132 130 A R B -H 138 0D 108 -2,-0.5 6,-0.2 6,-0.2 61,-0.1 -0.904 24.9-113.7-120.1 152.1 34.4 27.2 14.9 133 131 A G > - 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0 0 46 -3,-1.0 -26,-0.2 -4,-0.5 -28,-0.1 -0.442 44.0-165.8 -67.1 134.0 38.5 80.9 -22.0 456 454 A I B -N 428 0G 39 -28,-2.2 -28,-2.1 -2,-0.2 -69,-0.1 -0.978 11.4-149.6-121.6 116.3 40.5 78.2 -20.1 457 455 A P - 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -70,-0.1 0.866 26.7-176.9 -62.2 -37.5 43.9 79.6 -19.0 458 456 A G + 0 0 7 -72,-0.5 -33,-0.2 1,-0.1 -32,-0.2 -0.248 45.6 107.8 68.2-166.5 45.9 76.4 -19.1 459 457 A N + 0 0 46 -34,-2.2 -34,-0.2 1,-0.2 -1,-0.1 0.775 53.1 143.2 59.4 31.7 49.5 76.1 -18.0 460 458 A R - 0 0 50 -36,-2.4 -1,-0.2 -37,-0.1 2,-0.1 -0.840 46.8-119.2-105.3 137.0 48.3 74.2 -14.9 461 459 A P + 0 0 2 0, 0.0 -67,-0.7 0, 0.0 2,-0.3 -0.332 33.3 166.7 -83.7 155.2 50.5 71.4 -13.7 462 460 A S E - e 0 394A 1 -415,-0.9 -415,-0.5 -69,-0.1 2,-0.4 -0.983 22.5-149.3-155.7 159.0 49.9 67.7 -13.2 463 461 A T E - e 0 395A 5 -69,-2.0 -67,-3.0 -2,-0.3 2,-0.5 -0.955 14.9-154.6-117.7 143.7 51.7 64.4 -12.6 464 462 A T E -Be 44 396A 10 -420,-2.6 -420,-2.9 -2,-0.4 2,-0.6 -0.986 4.0-165.5-122.1 126.4 50.4 61.1 -13.9 465 463 A I E -Be 43 397A 0 -69,-2.9 -67,-2.7 -2,-0.5 2,-0.6 -0.946 12.0-164.0-110.8 112.5 51.3 57.9 -12.2 466 464 A L E -Be 42 398A 45 -424,-3.0 -424,-2.6 -2,-0.6 2,-0.3 -0.916 5.5-167.2-106.9 120.5 50.5 54.9 -14.4 467 465 A L E -Be 41 399A 0 -69,-2.7 -67,-3.2 -2,-0.6 -66,-0.2 -0.737 25.1-135.5 -96.8 149.4 50.3 51.4 -13.1 468 466 A D E S- 0 0 56 -428,-1.0 -67,-1.6 -2,-0.3 2,-0.3 0.907 86.7 -19.9 -67.3 -39.1 50.2 48.4 -15.4 469 467 A E E - e 0 401A 78 -69,-0.2 2,-0.9 -429,-0.1 -1,-0.3 -0.948 67.4-105.8-156.0 166.3 47.4 46.9 -13.3 470 468 A L + 0 0 1 -69,-0.5 -71,-0.0 -2,-0.3 3,-0.0 -0.819 60.6 146.7-105.0 90.7 45.9 47.3 -9.8 471 469 A S > - 0 0 10 -2,-0.9 4,-2.7 1,-0.1 5,-0.3 -0.688 66.2 -94.7-112.5 174.9 47.1 44.2 -8.0 472 470 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.954 126.7 45.8 -54.5 -45.4 48.1 43.5 -4.4 473 471 A Y H > S+ 0 0 83 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.943 114.0 45.7 -65.6 -48.3 51.7 44.1 -5.4 474 472 A S H > S+ 0 0 4 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 112.0 52.2 -68.6 -33.8 51.1 47.3 -7.4 475 473 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.908 108.5 50.7 -62.8 -45.2 48.8 48.7 -4.8 476 474 A G H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.3 -2,-0.2 0.925 111.2 48.4 -59.0 -40.9 51.4 48.1 -2.1 477 475 A A H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.937 110.9 51.7 -61.7 -45.9 54.1 49.9 -4.2 478 476 A L H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.925 110.8 46.7 -59.6 -46.0 51.6 52.9 -4.8 479 477 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.919 110.1 53.2 -62.9 -42.9 50.9 53.3 -1.1 480 478 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.845 101.1 61.0 -64.7 -35.9 54.6 53.2 -0.2 481 479 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.927 109.1 42.6 -54.0 -46.9 55.4 55.9 -2.7 482 480 A Y H X S+ 0 0 8 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.868 108.7 57.8 -69.8 -38.5 53.1 58.3 -0.8 483 481 A E H X S+ 0 0 1 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.934 112.2 42.5 -54.5 -45.0 54.4 57.1 2.6 484 482 A H H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.883 108.9 57.5 -74.2 -33.8 57.9 58.1 1.5 485 483 A K H X S+ 0 0 5 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.954 108.5 47.9 -52.8 -49.9 56.7 61.3 -0.2 486 484 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.892 110.5 50.9 -60.7 -44.9 55.3 62.4 3.2 487 485 A F H X S+ 0 0 4 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.928 110.2 49.8 -56.8 -51.5 58.5 61.5 5.0 488 486 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.940 109.6 50.6 -59.5 -47.0 60.6 63.5 2.6 489 487 A Q H X S+ 0 0 3 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.921 110.0 50.3 -56.2 -48.2 58.4 66.6 3.0 490 488 A G H <>S+ 0 0 1 -4,-2.2 5,-2.5 2,-0.2 4,-0.4 0.891 110.5 49.5 -56.4 -42.1 58.6 66.4 6.8 491 489 A V H ><5S+ 0 0 19 -4,-2.4 3,-1.1 3,-0.2 -425,-0.2 0.929 110.3 49.9 -62.8 -47.7 62.4 66.2 6.7 492 490 A L H 3<5S+ 0 0 3 -4,-2.7 -487,-0.6 1,-0.2 -2,-0.2 0.875 114.3 45.3 -62.0 -31.9 62.7 69.1 4.3 493 491 A W T 3<5S- 0 0 5 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.442 109.2-126.3 -84.4 -4.1 60.4 71.2 6.6 494 492 A D T < 5 + 0 0 40 -3,-1.1 -138,-2.1 -4,-0.4 -137,-0.2 0.860 64.9 132.9 56.8 39.2 62.3 70.0 9.7 495 493 A I < - 0 0 9 -5,-2.5 2,-0.8 -140,-0.2 -1,-0.2 -0.702 66.0-106.0-110.7 166.2 59.1 68.7 11.4 496 494 A N > - 0 0 8 -142,-0.4 3,-0.7 -2,-0.2 -415,-0.1 -0.849 30.1-175.5 -91.9 103.8 58.2 65.5 13.1 497 495 A S T 3 S+ 0 0 4 -2,-0.8 -1,-0.1 1,-0.2 -146,-0.1 0.530 75.1 60.8 -70.5 -9.2 56.0 63.6 10.7 498 496 A Y T 3 S+ 0 0 19 -418,-0.2 -1,-0.2 -148,-0.1 2,-0.2 0.458 87.5 71.6-113.9 0.6 55.3 60.8 13.3 499 497 A D < - 0 0 11 -3,-0.7 -417,-0.0 -150,-0.2 3,-0.0 -0.444 51.8-164.9-101.8 175.5 53.7 62.4 16.3 500 498 A Q > + 0 0 56 -2,-0.2 3,-1.0 -148,-0.0 4,-0.2 -0.232 27.0 150.2-159.4 62.1 50.1 63.7 16.6 501 499 A W G > + 0 0 118 1,-0.2 3,-1.4 2,-0.1 4,-0.4 0.728 60.3 78.2 -73.5 -18.2 49.8 65.8 19.7 502 500 A G G 3 S+ 0 0 75 1,-0.3 4,-0.4 -151,-0.2 3,-0.2 0.662 87.0 58.6 -67.5 -18.5 47.1 68.1 18.2 503 501 A V G <> S+ 0 0 60 -3,-1.0 4,-1.2 1,-0.2 -1,-0.3 0.570 85.0 80.6 -85.9 -14.9 44.3 65.5 18.8 504 502 A E H <> S+ 0 0 116 -3,-1.4 4,-1.8 -4,-0.2 -1,-0.2 0.884 85.4 55.7 -62.7 -40.6 44.7 65.2 22.6 505 503 A L H > S+ 0 0 101 -4,-0.4 4,-2.7 -3,-0.2 5,-0.2 0.915 104.8 51.7 -61.9 -47.4 42.8 68.4 23.6 506 504 A G H > S+ 0 0 50 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.849 107.2 54.3 -62.7 -31.1 39.6 67.4 21.8 507 505 A K H X S+ 0 0 132 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.937 111.7 44.6 -67.0 -41.1 39.7 64.0 23.6 508 506 A K H X S+ 0 0 127 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.905 113.1 49.7 -64.3 -48.1 39.9 65.7 27.0 509 507 A L H X S+ 0 0 75 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.867 106.8 57.7 -64.2 -31.1 37.2 68.3 26.1 510 508 A G H X S+ 0 0 26 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.915 105.3 48.6 -64.7 -42.2 35.0 65.4 25.0 511 509 A K H X S+ 0 0 142 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.930 112.8 49.1 -62.2 -41.9 35.2 63.8 28.3 512 510 A N H X S+ 0 0 57 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.912 111.4 48.7 -61.9 -44.7 34.4 67.1 30.0 513 511 A I H X S+ 0 0 54 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.904 107.7 53.9 -67.0 -39.1 31.4 67.8 27.7 514 512 A L H X S+ 0 0 89 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.918 109.9 48.8 -63.5 -39.9 30.0 64.3 28.3 515 513 A K H >X S+ 0 0 109 -4,-2.0 4,-1.2 1,-0.2 3,-0.6 0.933 111.8 49.1 -59.9 -48.3 30.1 65.0 32.1 516 514 A A H 3< S+ 0 0 0 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.852 106.1 57.1 -57.8 -39.6 28.4 68.3 31.5 517 515 A M H 3< S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 113.5 39.6 -61.5 -30.6 25.7 66.7 29.4 518 516 A N H << S+ 0 0 135 -4,-1.1 2,-0.2 -3,-0.6 -2,-0.2 0.598 125.5 29.6-100.4 -8.0 24.9 64.3 32.3 519 517 A D >< - 0 0 74 -4,-1.2 3,-1.4 -3,-0.2 6,-0.4 -0.778 53.9-172.8-154.6 101.6 25.1 66.8 35.2 520 518 A D T 3 S+ 0 0 109 1,-0.3 -4,-0.1 -2,-0.2 -1,-0.1 0.489 87.9 62.2 -77.1 -1.9 24.4 70.5 34.9 521 519 A S T 3 S+ 0 0 86 4,-0.1 -1,-0.3 5,-0.0 -5,-0.1 0.372 83.8 111.7 -94.6 0.7 25.6 71.2 38.5 522 520 A S S <> S- 0 0 11 -3,-1.4 4,-2.0 -7,-0.1 5,-0.1 -0.335 79.6-122.2 -74.8 156.1 29.1 70.0 37.6 523 521 A D H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.920 114.9 60.3 -58.0 -44.2 32.2 72.2 37.4 524 522 A E H > S+ 0 0 59 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.893 106.9 44.8 -48.3 -47.5 32.5 71.0 33.7 525 523 A Y H >4 S+ 0 0 39 -6,-0.4 3,-0.8 1,-0.2 -1,-0.2 0.906 112.9 50.4 -66.5 -42.1 29.1 72.4 32.9 526 524 A Q H 3< S+ 0 0 108 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.849 108.9 52.1 -66.8 -32.2 29.7 75.7 34.7 527 525 A N H 3< S+ 0 0 135 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.524 85.8 115.9 -82.2 -10.1 33.1 76.2 32.9 528 526 A L S << S- 0 0 25 -3,-0.8 2,-0.2 -4,-0.6 -3,-0.0 -0.242 71.7-115.9 -55.9 143.6 31.6 75.8 29.4 529 527 A D > - 0 0 89 1,-0.1 4,-2.2 4,-0.0 5,-0.1 -0.503 35.1-111.2 -66.7 156.6 31.6 78.5 26.9 530 528 A D H > S+ 0 0 91 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.723 113.8 61.0 -74.6 -19.0 28.0 79.4 26.1 531 529 A S H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.975 110.1 41.8 -66.7 -53.9 28.1 78.1 22.5 532 530 A T H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.928 114.1 53.8 -58.0 -43.2 28.9 74.6 23.8 533 531 A R H X S+ 0 0 42 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.923 110.6 44.6 -60.6 -44.1 26.3 75.0 26.7 534 532 A Q H X S+ 0 0 87 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.811 109.8 55.1 -74.1 -29.2 23.4 76.0 24.4 535 533 A L H X S+ 0 0 108 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.934 110.6 46.6 -63.5 -43.4 24.3 73.1 21.9 536 534 A I H < S+ 0 0 7 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.898 111.7 51.5 -62.1 -43.8 24.0 70.7 24.8 537 535 A A H >X S+ 0 0 24 -4,-2.2 4,-2.4 1,-0.2 3,-1.2 0.889 107.5 52.7 -58.9 -41.5 20.8 72.3 25.9 538 536 A K H 3< S+ 0 0 159 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.794 105.0 55.1 -67.1 -31.5 19.3 72.0 22.3 539 537 A V T 3< S+ 0 0 104 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.277 111.5 44.8 -88.2 8.0 20.1 68.2 22.2 540 538 A K T <4 0 0 116 -3,-1.2 -2,-0.2 -5,-0.1 -1,-0.2 0.627 360.0 360.0-102.0 -42.6 18.1 67.7 25.4 541 539 A N < 0 0 169 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.324 360.0 360.0-107.5 360.0 15.3 69.9 24.1