==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER KETOLISOMERASE 28-NOV-97 1A0D . COMPND 2 MOLECULE: XYLOSE ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR O.GALLAY,R.CHOPRA,E.CONTI,P.BRICK,D.BLOW . 1748 4 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 55317.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1279 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 160 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 2.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 108 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 175 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 672 38.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 44 2.5 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 4 8 0 4 8 8 0 0 8 0 0 0 0 0 8 0 8 0 0 0 0 4 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 8 16 8 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 . 10 8 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 12 0 0 0 0 0 0 4 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 P 0 0 119 0, 0.0 3,-0.2 0, 0.0 81,-0.1 0.000 360.0 360.0 360.0 -74.9 27.2 28.1 84.6 2 2 A Y + 0 0 37 1,-0.2 2,-0.7 79,-0.1 3,-0.2 0.888 360.0 31.2 -97.4 -50.4 25.8 27.4 81.1 3 3 A F + 0 0 7 1,-0.2 -1,-0.2 3,-0.1 86,-0.0 -0.774 69.1 151.9-110.4 81.6 28.7 25.9 79.1 4 4 A D S S+ 0 0 119 -2,-0.7 -1,-0.2 -3,-0.2 -2,-0.1 0.804 70.7 54.0 -80.1 -38.0 30.6 24.1 81.8 5 5 A N S S+ 0 0 121 -3,-0.2 2,-0.3 2,-0.0 -1,-0.1 0.944 100.1 74.8 -58.9 -49.9 32.1 21.4 79.6 6 6 A I - 0 0 6 3,-0.0 2,-0.2 1,-0.0 -3,-0.1 -0.493 64.9-167.8 -75.6 125.9 33.5 24.1 77.3 7 7 A S - 0 0 90 -2,-0.3 -2,-0.0 1,-0.1 -3,-0.0 -0.676 51.0 -61.0-101.1 164.1 36.5 26.1 78.4 8 8 A T - 0 0 93 -2,-0.2 2,-0.4 1,-0.1 82,-0.2 -0.205 61.8-119.3 -49.7 125.6 37.6 29.3 76.6 9 9 A I - 0 0 7 80,-2.7 2,-0.3 -3,-0.1 12,-0.2 -0.575 35.0-167.5 -73.8 127.6 38.4 28.4 72.9 10 10 A A E -a 21 0A 52 10,-0.5 12,-2.1 -2,-0.4 2,-0.6 -0.777 28.6-103.6-119.8 158.5 42.0 29.1 71.9 11 11 A Y E +a 22 0A 81 -2,-0.3 12,-0.2 10,-0.2 15,-0.1 -0.694 41.4 166.5 -75.7 117.5 44.0 29.2 68.6 12 12 A E - 0 0 93 10,-2.5 11,-0.2 -2,-0.6 -1,-0.1 0.463 40.5-117.0-113.3 -4.1 46.1 26.0 68.5 13 13 A G - 0 0 7 9,-1.3 11,-0.2 1,-0.1 -1,-0.2 0.059 37.5 -63.5 89.2 161.9 47.3 25.9 64.9 14 14 A P S S+ 0 0 64 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 0.791 122.2 58.0 -51.1 -51.7 46.8 23.5 61.9 15 15 A A S S+ 0 0 96 -3,-0.1 2,-0.3 8,-0.1 1730,-0.0 -0.762 79.7 116.6 -89.9 88.1 48.4 20.4 63.3 16 16 A S - 0 0 20 -2,-1.4 5,-0.1 5,-0.1 -4,-0.1 -0.887 52.3-157.2-156.3 123.3 46.2 20.1 66.3 17 17 A K + 0 0 102 -2,-0.3 -2,-0.0 2,-0.0 -1,-0.0 0.322 59.0 117.1 -86.8 9.6 43.8 17.2 67.0 18 18 A N > - 0 0 59 1,-0.2 3,-0.7 4,-0.1 -6,-0.1 -0.685 50.9-161.0 -87.4 110.7 41.7 19.3 69.3 19 19 A P T 3 S+ 0 0 41 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 0.760 87.4 59.5 -57.4 -29.5 38.1 19.7 68.1 20 20 A L T 3 S+ 0 0 29 2,-0.1 -10,-0.5 334,-0.0 2,-0.3 -0.333 93.3 80.1-100.7 55.0 37.5 22.7 70.3 21 21 A A E < S-a 10 0A 0 -3,-0.7 2,-0.5 -2,-0.5 -10,-0.2 -0.989 81.7-103.0-152.7 154.1 40.3 25.0 69.0 22 22 A F E -a 11 0A 1 -12,-2.1 -10,-2.5 -2,-0.3 -9,-1.3 -0.697 26.9-175.0 -79.3 127.1 40.9 27.4 66.2 23 23 A K S S+ 0 0 9 -2,-0.5 -1,-0.2 -11,-0.2 -8,-0.1 0.750 85.2 6.7 -91.0 -25.6 43.2 25.8 63.6 24 24 A F S S+ 0 0 35 -11,-0.2 2,-0.9 1,-0.1 -2,-0.1 0.623 105.0 90.0-128.7 -27.2 43.5 28.9 61.4 25 25 A Y + 0 0 0 329,-0.1 -3,-0.1 -12,-0.1 -12,-0.1 -0.702 44.2 171.5 -84.0 106.9 41.9 31.9 63.2 26 26 A N > - 0 0 26 -2,-0.9 3,-2.6 1,-0.1 10,-0.5 -0.909 24.9-150.0-116.8 99.5 44.5 33.5 65.3 27 27 A P T 3 S+ 0 0 15 0, 0.0 10,-2.4 0, 0.0 11,-0.4 0.742 94.2 35.5 -37.3 -40.8 42.9 36.8 66.6 28 28 A E T 3 S+ 0 0 146 8,-0.2 2,-0.2 7,-0.2 -3,-0.0 0.391 83.7 119.0-105.9 4.9 46.2 38.6 66.8 29 29 A E < - 0 0 75 -3,-2.6 7,-2.5 1,-0.1 2,-0.4 -0.495 65.1-125.5 -66.9 135.1 48.0 37.2 63.8 30 30 A K E -B 35 0B 138 5,-0.3 2,-0.5 -2,-0.2 5,-0.3 -0.716 26.5-176.5 -87.8 134.7 48.8 40.0 61.4 31 31 A V E > S-B 34 0B 10 3,-2.9 3,-1.0 -2,-0.4 2,-0.3 -0.914 73.1 -40.8-127.5 98.7 47.7 39.8 57.8 32 32 A G T 3 S- 0 0 44 -2,-0.5 336,-0.0 1,-0.2 -2,-0.0 -0.620 123.0 -25.1 77.9-136.2 49.1 42.9 56.2 33 33 A D T 3 S+ 0 0 136 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.435 128.9 61.3 -93.1 1.4 48.7 45.9 58.5 34 34 A K E < S-B 31 0B 75 -3,-1.0 -3,-2.9 2,-0.0 2,-0.1 -0.939 81.4-115.8-125.9 151.5 45.7 44.6 60.5 35 35 A T E > -B 30 0B 26 -2,-0.3 4,-2.3 -5,-0.3 3,-0.4 -0.405 35.2-105.1 -77.1 161.7 45.3 41.6 62.7 36 36 A M H > S+ 0 0 3 -7,-2.5 4,-2.9 -10,-0.5 5,-0.3 0.865 122.1 54.0 -54.5 -39.2 42.8 38.8 61.8 37 37 A E H > S+ 0 0 52 -10,-2.4 4,-1.7 -11,-0.2 -1,-0.2 0.885 109.5 46.3 -64.3 -40.3 40.5 40.1 64.5 38 38 A E H 4 S+ 0 0 104 -3,-0.4 -1,-0.2 -11,-0.4 -2,-0.2 0.843 116.8 45.8 -70.2 -36.1 40.5 43.6 63.1 39 39 A H H < S+ 0 0 16 -4,-2.3 289,-0.4 1,-0.1 -2,-0.2 0.927 118.4 38.5 -68.6 -51.7 40.0 42.3 59.6 40 40 A L H < S- 0 0 0 -4,-2.9 293,-0.9 -5,-0.2 -2,-0.2 0.748 74.9-167.8 -79.7 -27.6 37.2 39.8 60.2 41 41 A R < - 0 0 46 -4,-1.7 292,-1.4 -5,-0.3 -3,-0.1 0.859 22.6-154.0 36.9 56.3 35.1 41.6 62.8 42 42 A F E -c 333 0C 1 -5,-0.2 52,-1.2 290,-0.2 2,-0.3 -0.240 16.3-174.9 -61.1 147.5 33.1 38.5 63.7 43 43 A S E -cd 334 94C 0 290,-1.8 292,-2.9 50,-0.2 2,-0.4 -0.994 16.8-136.0-144.2 143.3 29.6 38.8 65.1 44 44 A V E -cd 335 95C 0 50,-1.6 52,-2.2 -2,-0.3 2,-0.7 -0.864 18.9-126.3-108.3 139.6 27.1 36.2 66.4 45 45 A A E > - d 0 96C 0 290,-0.9 4,-2.0 -2,-0.4 5,-0.3 -0.740 13.2-156.7 -82.1 114.6 23.4 36.2 65.5 46 46 A Y H >>S+ 0 0 2 50,-2.7 4,-3.1 -2,-0.7 5,-0.8 0.916 87.0 58.8 -56.2 -47.0 21.4 36.2 68.7 47 47 A W H >>S+ 0 0 20 49,-0.3 4,-1.9 1,-0.2 5,-1.1 0.937 112.9 32.0 -50.5 -63.0 18.3 34.8 67.0 48 48 A H H >5S+ 0 0 42 3,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.930 124.3 45.5 -64.6 -45.1 19.8 31.5 65.7 49 49 A T H <5S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.876 129.1 17.2 -71.8 -40.3 22.3 31.0 68.5 50 50 A F H <5S+ 0 0 1 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.652 135.1 30.2-110.6 -17.7 20.1 31.7 71.6 51 51 A T H < -K 59 0D 40 3,-2.3 3,-1.2 963,-0.1 -1,-0.0 -0.892 39.8 -96.5-155.2 150.8 11.6 22.6 60.7 57 57 A P T 3 S+ 0 0 93 0, 0.0 962,-0.1 0, 0.0 -2,-0.0 0.722 131.1 26.1 -54.6 -19.3 8.5 22.9 58.4 58 58 A F T 3 S+ 0 0 41 960,-0.1 2,-0.4 2,-0.1 960,-0.1 0.272 118.9 69.4-124.3 6.4 7.9 19.2 59.2 59 59 A G B < S-K 56 0D 8 -3,-1.2 -3,-2.3 962,-0.0 961,-0.2 -0.965 70.2-126.9-134.8 147.9 9.7 19.0 62.6 60 60 A A - 0 0 41 959,-2.9 2,-0.1 -2,-0.4 -2,-0.1 -0.317 55.2 -71.5 -78.8 167.0 9.2 20.2 66.2 61 61 A G + 0 0 35 1,-0.1 -7,-0.2 -6,-0.1 -1,-0.2 -0.420 54.6 169.4 -61.8 129.6 11.9 22.0 68.0 62 62 A N + 0 0 16 -9,-1.4 -8,-0.2 -2,-0.1 -1,-0.1 0.424 27.3 125.9-121.8 -4.6 14.7 19.5 68.8 63 63 A M - 0 0 20 -10,-1.9 2,-0.7 1,-0.1 282,-0.1 -0.334 51.7-140.3 -62.5 138.0 17.6 21.6 70.1 64 64 A I + 0 0 90 280,-2.5 -1,-0.1 -2,-0.1 -2,-0.0 -0.888 32.9 162.7-101.7 111.7 19.1 20.8 73.5 65 65 A R > - 0 0 13 -2,-0.7 3,-1.6 1,-0.1 4,-0.2 -0.991 42.8-132.0-132.9 141.9 19.9 24.0 75.5 66 66 A P G > S+ 0 0 48 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.809 105.6 56.4 -58.0 -32.6 20.6 24.6 79.2 67 67 A W G > S+ 0 0 2 1,-0.2 3,-1.1 2,-0.1 12,-0.1 0.345 77.5 99.4 -84.4 8.5 18.3 27.6 79.5 68 68 A N G < + 0 0 87 -3,-1.6 -1,-0.2 1,-0.2 7,-0.1 0.711 66.0 71.4 -68.2 -23.5 15.3 25.6 78.2 69 69 A K G < S+ 0 0 164 -3,-0.7 -1,-0.2 -4,-0.2 2,-0.1 0.773 88.9 81.9 -62.3 -26.7 13.9 25.0 81.7 70 70 A Y < - 0 0 89 -3,-1.1 2,-0.3 4,-0.1 -3,-0.0 -0.408 59.2-163.9 -84.7 159.1 12.9 28.7 81.9 71 71 A S >> - 0 0 86 -2,-0.1 4,-1.8 4,-0.0 3,-1.0 -0.802 51.6 -10.5-129.5 171.0 9.9 30.6 80.6 72 72 A G H 3> S- 0 0 46 -2,-0.3 4,-1.9 1,-0.2 3,-0.4 0.026 126.7 -7.6 41.9-138.0 9.0 34.2 80.0 73 73 A M H 3> S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.777 132.7 61.4 -62.7 -28.4 11.4 36.9 81.4 74 74 A D H <> S+ 0 0 98 -3,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.927 107.4 45.7 -63.0 -42.5 13.4 34.3 83.2 75 75 A L H X S+ 0 0 29 -4,-1.8 4,-2.5 -3,-0.4 -2,-0.2 0.893 111.6 51.7 -63.9 -42.3 14.2 32.8 79.9 76 76 A A H X S+ 0 0 5 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.942 114.8 42.2 -60.9 -46.4 15.0 36.2 78.4 77 77 A K H X S+ 0 0 82 -4,-2.9 4,-2.2 2,-0.2 3,-0.3 0.926 111.5 55.0 -66.2 -46.2 17.4 37.0 81.2 78 78 A A H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.923 106.6 52.4 -53.4 -46.6 18.9 33.5 81.2 79 79 A R H X S+ 0 0 48 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.861 105.8 53.5 -60.4 -36.7 19.7 33.9 77.5 80 80 A V H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.3 5,-0.2 0.948 110.8 45.8 -65.0 -47.0 21.4 37.2 78.1 81 81 A E H X S+ 0 0 80 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.942 116.9 45.6 -56.2 -50.6 23.7 35.6 80.8 82 82 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.909 109.1 56.9 -58.2 -44.8 24.3 32.6 78.4 83 83 A A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.951 109.2 43.6 -54.8 -55.0 24.9 35.0 75.5 84 84 A F H X S+ 0 0 11 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.805 111.3 54.3 -64.9 -29.4 27.7 36.8 77.2 85 85 A E H X S+ 0 0 19 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.948 110.5 47.2 -66.2 -45.5 29.2 33.6 78.4 86 86 A F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.924 110.1 52.9 -60.7 -46.4 29.3 32.3 74.9 87 87 A F H X>S+ 0 0 1 -4,-2.6 5,-1.8 1,-0.2 4,-1.5 0.900 111.7 46.3 -54.9 -46.5 30.8 35.6 73.6 88 88 A E H <5S+ 0 0 136 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.946 113.3 47.0 -63.6 -50.3 33.6 35.4 76.1 89 89 A K H <5S+ 0 0 30 -4,-2.6 -80,-2.7 1,-0.2 -1,-0.2 0.797 119.5 39.8 -64.1 -30.4 34.4 31.7 75.5 90 90 A L H <5S- 0 0 0 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.630 104.7-130.3 -94.5 -18.7 34.4 32.1 71.7 91 91 A N T <5 + 0 0 48 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.897 41.0 172.5 74.6 44.3 36.1 35.5 71.8 92 92 A I < - 0 0 2 -5,-1.8 -1,-0.2 -6,-0.2 -49,-0.1 -0.725 29.6-155.2 -93.1 130.4 33.7 37.3 69.5 93 93 A P S S+ 0 0 13 0, 0.0 40,-2.3 0, 0.0 2,-0.3 0.703 72.9 18.7 -69.4 -28.1 34.0 41.1 69.1 94 94 A F E -de 43 133C 17 -52,-1.2 -50,-1.6 38,-0.3 2,-0.3 -0.931 53.0-168.6-142.1 166.9 30.3 41.6 68.1 95 95 A F E -de 44 134C 0 38,-1.5 40,-2.4 -52,-0.3 41,-0.8 -0.946 10.0-151.6-149.7 168.4 26.7 40.4 68.1 96 96 A C E +de 45 136C 0 -52,-2.2 -50,-2.7 -2,-0.3 2,-0.3 -0.966 14.7 176.0-138.8 157.2 23.4 41.3 66.4 97 97 A F E - e 0 137C 2 39,-1.0 41,-1.6 -2,-0.3 2,-0.3 -0.997 28.6-128.4-160.7 157.3 19.7 40.9 67.3 98 98 A H E >> - e 0 138C 22 -2,-0.3 3,-1.9 39,-0.2 4,-0.9 -0.818 41.0-112.2 -97.2 151.0 16.1 41.6 66.5 99 99 A D H >> S+ 0 0 9 39,-1.8 4,-1.4 -2,-0.3 3,-0.8 0.885 117.8 53.6 -48.4 -45.0 14.0 43.2 69.2 100 100 A V H 34 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.581 99.0 65.1 -71.3 -11.1 11.9 40.0 69.6 101 101 A D H <4 S+ 0 0 13 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.839 107.8 37.4 -76.8 -36.3 15.1 37.9 70.1 102 102 A I H << S+ 0 0 2 -4,-0.9 -2,-0.2 -3,-0.8 -22,-0.1 0.774 123.1 24.3 -91.6 -29.0 16.0 39.5 73.3 103 103 A A S < S- 0 0 8 -4,-1.4 -1,-0.2 16,-0.0 2,-0.2 -0.990 80.8-105.0-140.6 147.8 12.7 40.1 75.1 104 104 A P - 0 0 47 0, 0.0 11,-0.1 0, 0.0 12,-0.1 -0.469 39.5-114.9 -71.6 137.4 9.2 38.6 74.9 105 105 A E - 0 0 65 -2,-0.2 2,-0.1 -5,-0.1 4,-0.1 -0.379 31.6-133.6 -69.5 148.3 6.5 40.6 73.2 106 106 A G - 0 0 21 2,-0.2 -1,-0.1 3,-0.1 3,-0.1 -0.313 22.2-106.9 -96.2-178.8 3.6 41.9 75.3 107 107 A E S S+ 0 0 183 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.795 107.9 27.8 -79.1 -25.1 -0.1 41.9 74.8 108 108 A T S > S- 0 0 66 1,-0.1 4,-2.3 744,-0.0 3,-0.4 -0.917 88.6-110.2-130.1 158.9 0.1 45.6 74.1 109 109 A L H > S+ 0 0 3 741,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.870 117.6 56.7 -54.4 -41.3 2.8 47.9 72.7 110 110 A K H > S+ 0 0 61 738,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.909 108.6 47.8 -58.6 -42.4 3.4 49.6 76.1 111 111 A E H >> S+ 0 0 90 -3,-0.4 4,-2.1 2,-0.2 3,-0.5 0.964 108.3 53.2 -61.0 -54.9 4.0 46.1 77.6 112 112 A T H 3X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.3 -2,-0.2 0.894 108.3 51.8 -45.7 -48.3 6.5 45.1 74.8 113 113 A Y H 3X S+ 0 0 25 -4,-2.5 4,-2.8 2,-0.2 -1,-0.3 0.880 108.0 52.0 -57.4 -40.9 8.4 48.4 75.5 114 114 A K H 4 S+ 0 0 69 -2,-1.6 3,-1.0 -3,-0.3 4,-0.2 -0.009 101.0 61.0-174.3 -42.2 27.2 43.6 80.8 127 127 A M H >< S+ 0 0 33 -4,-1.7 3,-1.1 -3,-0.3 -2,-0.2 0.800 94.2 71.9 -62.0 -32.2 28.7 45.3 77.8 128 128 A K T 3< S+ 0 0 153 -4,-1.1 -1,-0.2 1,-0.3 -3,-0.1 0.795 109.6 26.9 -50.2 -36.1 30.2 47.3 80.6 129 129 A T T < S+ 0 0 126 -3,-1.0 2,-0.3 3,-0.0 -1,-0.3 0.222 111.5 82.2-117.2 14.5 32.5 44.3 81.4 130 130 A S < - 0 0 29 -3,-1.1 -4,-0.1 -4,-0.2 -46,-0.0 -0.858 66.0-142.1-124.9 152.3 32.7 42.7 78.0 131 131 A K S S+ 0 0 86 -2,-0.3 2,-0.1 -39,-0.1 -1,-0.1 0.702 77.8 102.1 -78.5 -21.1 34.8 43.2 74.9 132 132 A T - 0 0 0 -48,-0.1 2,-0.3 -38,-0.1 -38,-0.3 -0.404 53.1-175.2 -69.5 136.5 31.7 42.3 72.8 133 133 A K E -e 94 0C 118 -40,-2.3 -38,-1.5 -2,-0.1 2,-0.7 -0.855 33.7 -93.9-129.9 161.7 29.8 45.2 71.2 134 134 A L E -e 95 0C 1 43,-0.4 46,-0.9 -2,-0.3 -38,-0.2 -0.701 31.0-176.7 -79.9 115.2 26.6 45.6 69.3 135 135 A L E - 0 0 0 -40,-2.4 46,-1.7 -2,-0.7 45,-1.1 0.962 69.0 -30.2 -73.0 -57.0 27.4 45.5 65.5 136 136 A W E -ef 96 181C 3 -41,-0.8 -39,-1.0 44,-0.2 -1,-0.3 -0.983 53.5-157.8-158.7 153.4 23.8 46.1 64.6 137 137 A N E -ef 97 182C 2 44,-0.8 46,-1.7 -2,-0.3 2,-0.3 -0.770 15.5-170.6-122.4 175.1 20.2 45.6 65.8 138 138 A T E -ef 98 183C 6 -41,-1.6 -39,-1.8 -2,-0.3 2,-0.5 -0.982 26.2-104.4-161.9 164.4 16.9 45.5 63.9 139 139 A A - 0 0 9 44,-0.5 2,-1.2 -2,-0.3 46,-0.3 -0.864 29.6-132.6-102.1 127.3 13.1 45.4 64.2 140 140 A N + 0 0 9 -2,-0.5 4,-0.3 1,-0.1 44,-0.0 -0.667 34.5 165.9 -80.8 100.1 11.4 42.1 63.4 141 141 A L + 0 0 18 -2,-1.2 47,-0.3 44,-0.3 -1,-0.1 -0.113 64.2 52.0-108.2 40.2 8.6 43.1 61.1 142 142 A F S S+ 0 0 16 45,-0.1 -1,-0.1 792,-0.1 792,-0.1 0.588 86.9 67.9-141.8 -28.3 7.6 39.7 59.8 143 143 A T S S+ 0 0 48 792,-0.2 793,-2.9 790,-0.1 789,-0.1 0.853 81.2 83.0 -73.1 -37.3 7.0 37.1 62.5 144 144 A H S > S- 0 0 64 -4,-0.3 3,-2.1 791,-0.2 794,-0.1 -0.432 82.8-123.9 -73.7 144.9 3.8 38.5 64.0 145 145 A P G > S+ 0 0 39 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.715 107.5 71.2 -56.6 -21.0 0.4 37.8 62.4 146 146 A R G 3 S+ 0 0 20 1,-0.3 3,-0.4 2,-0.1 13,-0.1 0.768 92.5 55.3 -69.9 -25.7 -0.2 41.5 62.1 147 147 A F G X S+ 0 0 1 -3,-2.1 3,-2.4 1,-0.2 -1,-0.3 0.199 70.2 120.3 -94.9 18.8 2.5 41.7 59.4 148 148 A V T < S+ 0 0 18 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.1 0.775 82.8 35.5 -54.2 -33.9 0.7 39.1 57.2 149 149 A H T 3 S- 0 0 23 1,-0.5 -1,-0.3 -3,-0.4 2,-0.2 0.130 131.6 -80.0-107.3 17.5 0.2 41.6 54.3 150 150 A G < - 0 0 0 -3,-2.4 -1,-0.5 4,-0.1 39,-0.2 -0.610 34.6-110.6 113.6-177.2 3.6 43.3 54.9 151 151 A A S > S+ 0 0 0 -2,-0.2 3,-1.2 -3,-0.1 5,-0.1 0.534 107.4 7.3-115.8 -82.1 4.7 46.0 57.3 152 152 A A T 3 S+ 0 0 0 1,-0.3 57,-0.1 11,-0.1 8,-0.1 0.722 138.4 50.6 -74.5 -20.8 5.4 49.3 55.5 153 153 A T T 3 S+ 0 0 0 52,-0.1 -1,-0.3 53,-0.1 49,-0.1 0.257 86.4 125.3 -97.5 9.5 3.9 47.7 52.4 154 154 A S < - 0 0 1 -3,-1.2 -4,-0.1 2,-0.1 -3,-0.1 -0.344 63.9-138.0 -69.4 149.6 0.8 46.5 54.3 155 155 A C S S+ 0 0 8 -6,-0.1 2,-0.7 1,-0.1 669,-0.6 0.482 89.1 81.8 -84.0 -4.3 -2.6 47.5 53.0 156 156 A N >> - 0 0 22 -5,-0.1 4,-1.4 1,-0.1 3,-1.0 -0.899 68.7-157.8-106.3 109.8 -3.6 48.2 56.6 157 157 A A H 3> S+ 0 0 2 -2,-0.7 4,-2.3 1,-0.3 -1,-0.1 0.747 91.9 63.4 -58.8 -26.2 -2.4 51.7 57.6 158 158 A D H 3> S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -1,-0.3 0.903 102.3 50.3 -63.6 -39.2 -2.6 50.6 61.3 159 159 A V H <> S+ 0 0 0 -3,-1.0 4,-2.8 2,-0.2 5,-0.2 0.877 106.7 54.4 -67.2 -36.4 0.1 48.1 60.6 160 160 A F H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.965 110.6 47.0 -59.6 -47.4 2.2 50.8 58.9 161 161 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.929 112.5 48.7 -58.5 -49.1 1.9 52.8 62.2 162 162 A Y H X S+ 0 0 10 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.905 111.1 49.7 -58.6 -45.7 2.8 49.8 64.4 163 163 A A H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.917 109.0 53.5 -60.5 -43.6 5.8 48.9 62.2 164 164 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.889 107.9 50.6 -57.6 -40.9 7.0 52.6 62.5 165 165 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.934 110.0 48.9 -65.4 -45.8 6.7 52.4 66.3 166 166 A K H X S+ 0 0 7 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.808 113.4 47.1 -66.1 -27.0 8.8 49.3 66.5 167 167 A V H X S+ 0 0 1 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.859 110.2 53.7 -79.5 -33.4 11.4 50.8 64.2 168 168 A K H X S+ 0 0 15 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.947 112.6 42.5 -63.0 -51.7 11.4 54.0 66.3 169 169 A K H X S+ 0 0 21 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.888 111.4 58.9 -59.9 -39.4 12.1 52.1 69.5 170 170 A G H X S+ 0 0 3 -4,-1.4 4,-2.1 -5,-0.3 -2,-0.2 0.926 106.0 45.9 -56.1 -47.9 14.6 50.1 67.4 171 171 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.845 110.0 54.8 -65.8 -34.2 16.6 53.2 66.6 172 172 A E H X S+ 0 0 54 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.926 109.3 46.9 -65.3 -43.6 16.5 54.4 70.2 173 173 A I H X S+ 0 0 7 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.900 111.1 53.0 -63.9 -38.5 17.9 51.1 71.4 174 174 A A H X>S+ 0 0 0 -4,-2.1 5,-2.3 -5,-0.2 4,-0.8 0.958 111.1 45.6 -60.7 -50.7 20.6 51.4 68.7 175 175 A K H <5S+ 0 0 107 -4,-2.7 3,-0.5 3,-0.2 -2,-0.2 0.904 114.4 50.2 -56.5 -44.5 21.5 54.9 69.8 176 176 A R H <5S+ 0 0 95 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 117.4 36.0 -64.9 -46.4 21.6 53.8 73.4 177 177 A L H <5S- 0 0 13 -4,-2.8 -43,-0.4 -5,-0.1 -1,-0.2 0.382 111.8-117.2 -90.4 0.4 23.8 50.7 73.0 178 178 A G T <5 - 0 0 52 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.909 38.6-169.2 66.4 44.9 25.9 52.4 70.4 179 179 A A < - 0 0 5 -5,-2.3 -44,-0.2 -6,-0.2 -43,-0.2 -0.393 19.2-145.5 -61.9 141.4 25.1 50.1 67.4 180 180 A E S S+ 0 0 58 -45,-1.1 45,-2.8 -46,-0.9 2,-0.3 0.745 80.1 13.3 -79.8 -25.5 27.4 50.7 64.5 181 181 A N E -fg 136 225C 0 -46,-1.7 -44,-0.8 43,-0.3 2,-0.4 -0.910 62.7-142.1-143.1 166.7 24.7 49.9 62.0 182 182 A Y E -fg 137 226C 0 43,-2.5 45,-2.9 -2,-0.3 2,-0.4 -0.979 23.6-148.1-136.4 123.3 20.9 49.4 61.8 183 183 A V E -fg 138 227C 2 -46,-1.7 -44,-0.5 -2,-0.4 2,-0.5 -0.762 10.3-165.1-101.6 137.9 19.5 46.7 59.5 184 184 A F E - g 0 228C 22 43,-2.6 45,-2.7 -2,-0.4 2,-0.4 -0.974 7.7-179.3-113.9 126.3 16.3 46.6 57.6 185 185 A W - 0 0 32 -2,-0.5 2,-2.1 -46,-0.3 -44,-0.3 -0.946 19.4-149.5-125.9 115.2 15.1 43.3 56.1 186 186 A G > + 0 0 10 -2,-0.4 3,-1.1 43,-0.4 54,-0.2 -0.300 33.0 157.9 -82.5 60.9 11.8 43.4 54.1 187 187 A G T 3 S+ 0 0 1 -2,-2.1 49,-0.9 1,-0.3 -1,-0.2 0.814 84.6 22.7 -50.8 -42.2 10.6 39.8 54.9 188 188 A R T 3 S+ 0 0 19 -47,-0.3 2,-1.7 -3,-0.3 -1,-0.3 0.280 96.5 107.5-106.5 6.8 7.0 40.6 54.2 189 189 A E S < S+ 0 0 12 -3,-1.1 51,-2.4 -39,-0.2 52,-0.4 -0.613 73.3 50.0 -89.5 79.7 7.8 43.6 52.0 190 190 A G E S-L 239 0E 5 -2,-1.7 2,-0.3 49,-0.3 49,-0.2 -0.778 91.1 -79.6-172.7-141.2 6.9 42.0 48.7 191 191 A Y E -L 238 0E 11 47,-2.4 47,-1.7 -2,-0.2 46,-1.6 -0.965 7.9-158.4-147.5 159.1 3.9 40.1 47.5 192 192 A E S S+ 0 0 71 1,-0.5 2,-0.3 -2,-0.3 -1,-0.1 0.634 94.1 4.0-103.5 -29.3 2.3 36.6 47.6 193 193 A T > - 0 0 12 1,-0.1 3,-0.8 45,-0.1 -1,-0.5 -0.960 56.3-144.4-156.8 136.2 0.2 37.3 44.5 194 194 A L G > S+ 0 0 7 -2,-0.3 3,-2.3 1,-0.2 5,-0.1 0.786 90.0 84.5 -66.8 -26.9 0.1 40.3 42.1 195 195 A L G 3 S+ 0 0 20 1,-0.3 -1,-0.2 -3,-0.1 623,-0.2 0.710 103.3 25.8 -49.4 -32.3 -3.7 39.7 41.7 196 196 A N G < S+ 0 0 9 -3,-0.8 2,-0.5 621,-0.1 -1,-0.3 0.129 102.8 112.2-117.7 17.4 -4.5 41.7 44.9 197 197 A T < - 0 0 4 -3,-2.3 2,-1.1 4,-0.0 3,-0.2 -0.827 49.5-164.0-108.7 126.9 -1.5 44.0 44.9 198 198 A D > + 0 0 57 -2,-0.5 4,-2.4 1,-0.2 5,-0.1 -0.820 22.1 179.3 -98.9 88.5 -1.2 47.7 44.3 199 199 A M H > S+ 0 0 4 -2,-1.1 4,-2.8 2,-0.2 5,-0.3 0.891 73.5 53.5 -61.0 -45.3 2.6 47.6 43.7 200 200 A K H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.915 111.7 46.8 -61.5 -39.2 3.2 51.3 43.1 201 201 A L H > S+ 0 0 27 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.962 112.0 50.0 -64.7 -50.7 1.4 52.2 46.3 202 202 A E H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.909 114.0 45.0 -53.8 -45.4 3.3 49.6 48.3 203 203 A L H X S+ 0 0 20 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.906 111.1 53.3 -67.2 -41.4 6.6 50.8 46.9 204 204 A D H X S+ 0 0 28 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.895 112.5 45.3 -56.1 -44.8 5.6 54.4 47.5 205 205 A N H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.855 107.3 56.5 -70.5 -36.2 4.8 53.6 51.1 206 206 A L H X S+ 0 0 10 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.912 110.5 46.9 -60.7 -40.3 8.0 51.6 51.6 207 207 A A H X S+ 0 0 3 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.877 110.7 50.7 -68.1 -40.9 9.9 54.8 50.5 208 208 A R H X S+ 0 0 62 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.922 111.0 50.9 -62.8 -42.3 7.8 57.0 52.8 209 209 A F H X S+ 0 0 3 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.966 110.9 46.3 -58.4 -55.8 8.6 54.6 55.7 210 210 A L H X S+ 0 0 6 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.846 110.3 54.8 -59.8 -34.0 12.4 54.6 55.0 211 211 A H H X S+ 0 0 66 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.949 106.0 50.7 -64.0 -45.2 12.3 58.4 54.7 212 212 A M H X S+ 0 0 17 -4,-2.3 4,-2.2 1,-0.2 628,-0.2 0.842 109.4 53.5 -58.9 -36.2 10.7 58.8 58.1 213 213 A A H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.958 107.4 46.8 -65.8 -51.4 13.4 56.5 59.6 214 214 A V H X S+ 0 0 7 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.798 113.5 52.7 -64.0 -24.7 16.4 58.5 58.3 215 215 A D H X S+ 0 0 93 -4,-1.7 4,-2.3 -5,-0.2 -1,-0.2 0.904 110.3 45.1 -73.4 -44.7 14.6 61.6 59.6 216 216 A Y H X S+ 0 0 17 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.886 108.1 58.5 -65.8 -40.5 14.1 60.2 63.1 217 217 A A H <>S+ 0 0 11 -4,-2.8 5,-3.3 1,-0.2 4,-0.4 0.878 109.7 44.6 -55.5 -38.6 17.7 58.9 63.1 218 218 A K H ><5S+ 0 0 132 -4,-1.1 3,-0.6 3,-0.2 -2,-0.2 0.924 110.1 54.6 -72.1 -43.9 18.8 62.6 62.5 219 219 A E H 3<5S+ 0 0 118 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.913 116.0 36.5 -56.3 -49.7 16.4 63.9 65.1 220 220 A I T 3<5S- 0 0 39 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.500 113.4-118.7 -82.0 -4.6 17.7 61.6 67.9 221 221 A G T < 5 + 0 0 32 -3,-0.6 -3,-0.2 -4,-0.4 -4,-0.1 0.941 53.9 159.7 69.4 50.1 21.3 61.9 66.6 222 222 A F < + 0 0 8 -5,-3.3 -4,-0.1 -6,-0.1 3,-0.1 0.991 12.7 179.0 -67.3 -63.3 21.8 58.2 65.7 223 223 A D + 0 0 134 1,-0.2 2,-0.2 -6,-0.2 -1,-0.1 0.688 33.8 127.4 66.5 21.6 24.7 58.5 63.2 224 224 A G S S- 0 0 13 -7,-0.1 2,-0.5 1,-0.0 -43,-0.3 -0.624 70.5 -86.8 -98.5 166.5 25.1 54.7 62.7 225 225 A Q E -g 181 0C 42 -45,-2.8 -43,-2.5 -2,-0.2 2,-0.3 -0.641 35.4-138.6 -81.6 121.0 25.0 53.1 59.2 226 226 A F E -gh 182 260C 10 33,-0.6 35,-1.3 -2,-0.5 2,-0.4 -0.600 26.0-168.0 -72.7 134.7 21.6 52.3 57.8 227 227 A L E -gh 183 261C 0 -45,-2.9 -43,-2.6 -2,-0.3 2,-0.4 -0.971 17.1-157.7-130.1 142.2 21.6 48.9 56.0 228 228 A I E -gh 184 262C 4 33,-2.2 35,-2.8 -2,-0.4 -43,-0.2 -0.962 10.8-152.6-117.4 131.3 19.2 47.1 53.7 229 229 A E - 0 0 9 -45,-2.7 -43,-0.4 -2,-0.4 35,-0.1 -0.891 16.0-148.9-106.5 104.0 19.4 43.4 53.4 230 230 A P + 0 0 5 0, 0.0 35,-0.3 0, 0.0 12,-0.2 -0.264 21.4 168.4 -70.8 157.5 18.2 42.1 50.0 231 231 A K - 0 0 1 10,-2.7 12,-0.2 12,-0.1 8,-0.1 -0.858 31.8-139.4-162.9 137.7 16.5 38.7 49.4 232 232 A P S S- 0 0 0 0, 0.0 7,-2.7 0, 0.0 2,-0.3 0.851 73.8 -37.8 -68.6 -38.7 14.6 37.4 46.3 233 233 A K + 0 0 32 5,-0.3 4,-0.2 1,-0.2 5,-0.1 -0.936 65.6 132.3-172.1-177.4 11.8 35.6 48.1 234 234 A E S S+ 0 0 14 2,-3.0 -1,-0.2 -2,-0.3 3,-0.1 0.859 92.6 17.5 69.1 108.7 10.8 33.5 51.1 235 235 A P S S+ 0 0 24 0, 0.0 -47,-0.1 0, 0.0 -48,-0.1 -0.940 130.4 55.2 -65.7 -36.3 8.4 34.0 52.9 236 236 A T S S- 0 0 12 -49,-0.9 -2,-3.0 1,-0.1 3,-0.2 -0.199 80.4-130.4 -60.8 152.1 7.1 36.2 50.0 237 237 A K S S+ 0 0 40 -46,-1.6 2,-0.3 1,-0.3 -45,-0.2 0.834 104.1 12.1 -67.9 -35.7 6.7 34.8 46.5 238 238 A H E S-L 191 0E 13 -47,-1.7 -47,-2.4 -5,-0.1 2,-0.4 -0.948 74.4-155.6-142.7 124.4 8.6 38.0 45.5 239 239 A Q E -L 190 0E 0 -7,-2.7 3,-0.3 -2,-0.3 -49,-0.3 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-2,-0.5 -1,-0.1 1,-0.3 3,-0.0 0.573 97.0 57.6 -81.1 -6.3 22.6 25.3 45.6 300 300 A L T 3 S+ 0 0 21 1,-0.1 2,-0.5 1287,-0.0 -1,-0.3 0.378 98.8 71.7 -95.7 -1.7 20.4 22.2 45.0 301 301 A L S < S- 0 0 17 -3,-1.5 2,-0.3 2,-0.1 -3,-0.3 -0.975 71.2-151.0-120.7 125.1 17.9 23.4 47.6 302 302 A G B S+N 1178 0G 23 876,-0.7 876,-0.7 -2,-0.5 2,-0.3 -0.027 70.3 67.6 -90.3 31.1 15.7 26.3 46.8 303 303 A W S S- 0 0 35 -2,-0.3 -5,-0.4 -5,-0.2 2,-0.3 -0.908 95.4 -79.3-139.3 166.0 15.2 27.7 50.3 304 304 A D + 0 0 13 -2,-0.3 -7,-0.1 1,-0.2 -2,-0.1 -0.554 41.6 171.7 -69.4 126.5 17.4 29.3 52.9 305 305 A T - 0 0 8 -2,-0.3 33,-0.2 -4,-0.1 -1,-0.2 0.604 25.0-152.2-108.3 -19.9 19.4 26.8 54.8 306 306 A D + 0 0 8 1,-0.2 32,-3.0 31,-0.1 -9,-0.2 0.869 27.7 174.9 50.5 46.5 21.6 29.2 56.7 307 307 A E B -M 296 0F 24 -11,-2.3 -11,-1.0 30,-0.2 -1,-0.2 -0.469 37.2 -98.4 -78.5 156.7 24.6 26.8 57.0 308 308 A F - 0 0 6 30,-0.3 2,-0.6 -13,-0.2 -13,-0.2 -0.463 46.9 -98.5 -72.1 142.5 27.9 27.8 58.5 309 309 A P + 0 0 3 0, 0.0 50,-0.3 0, 0.0 51,-0.2 -0.523 64.3 139.9 -66.8 108.3 30.6 28.8 55.9 310 310 A T + 0 0 7 -2,-0.6 2,-0.7 49,-0.1 -2,-0.0 0.569 38.9 102.5-119.6 -23.9 32.9 25.9 55.3 311 311 A D > - 0 0 42 1,-0.2 4,-1.8 2,-0.1 3,-0.2 -0.500 56.6-161.1 -66.0 110.8 33.4 26.2 51.6 312 312 A L H > S+ 0 0 3 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.706 84.3 61.3 -70.1 -23.3 36.8 27.7 51.2 313 313 A Y H > S+ 0 0 24 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.959 107.8 46.1 -66.9 -43.6 36.4 28.9 47.7 314 314 A S H > S+ 0 0 40 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.945 113.1 46.9 -61.4 -53.5 33.5 31.1 48.8 315 315 A T H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.930 115.8 46.3 -57.9 -46.0 35.2 32.5 51.8 316 316 A T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.959 115.7 45.5 -57.4 -53.8 38.4 33.3 49.8 317 317 A L H X S+ 0 0 24 -4,-3.2 4,-1.1 -5,-0.2 -2,-0.2 0.812 114.9 47.8 -62.7 -33.4 36.4 34.8 46.9 318 318 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 3,-0.5 0.943 110.7 50.6 -72.5 -48.2 34.2 36.9 49.4 319 319 A M H X S+ 0 0 1 -4,-2.9 4,-3.2 -5,-0.3 5,-0.3 0.829 103.7 59.9 -58.8 -34.0 37.2 38.1 51.3 320 320 A Y H X S+ 0 0 15 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.3 0.916 108.9 44.1 -59.7 -41.8 38.9 39.1 48.0 321 321 A E H X S+ 0 0 4 -4,-1.1 4,-1.2 -3,-0.5 -2,-0.2 0.907 113.9 50.0 -68.1 -42.9 35.9 41.4 47.4 322 322 A I H <>S+ 0 0 2 -4,-2.3 5,-2.7 2,-0.2 3,-0.3 0.913 110.3 49.0 -64.9 -43.3 35.9 42.7 51.0 323 323 A L H ><5S+ 0 0 30 -4,-3.2 3,-1.5 1,-0.2 -1,-0.2 0.905 110.1 51.8 -64.1 -39.9 39.6 43.5 51.0 324 324 A K H 3<5S+ 0 0 68 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.761 102.5 59.5 -68.6 -21.6 39.3 45.4 47.7 325 325 A N T 3<5S- 0 0 50 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.564 127.4-102.9 -80.3 -5.8 36.5 47.4 49.3 326 326 A G T < 5S- 0 0 66 -3,-1.5 3,-0.3 -4,-0.3 -3,-0.2 0.644 72.7 -64.0 89.2 20.1 39.0 48.5 51.8 327 327 A G S - 0 0 9 -289,-0.4 3,-2.4 1,-0.2 2,-0.6 0.608 63.8-173.4 -78.5 -14.6 34.2 45.9 56.1 329 329 A G T 3 S- 0 0 60 -3,-0.3 -1,-0.2 1,-0.3 -39,-0.1 -0.394 73.0 -1.2 60.7-104.1 34.7 49.3 57.6 330 330 A R T 3 S+ 0 0 87 -2,-0.6 -1,-0.3 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0.573 97.0 57.5 -81.1 -6.4 9.9 26.4 33.8 738 300 B L T 3 S+ 0 0 24 1,-0.1 2,-0.5 411,-0.0 -1,-0.3 0.378 98.8 71.7 -95.7 -1.7 11.5 23.0 34.3 739 301 B L S < S- 0 0 17 -3,-1.5 2,-0.3 2,-0.1 -3,-0.3 -0.975 71.2-151.0-120.7 125.1 14.2 23.8 31.7 740 302 B G B S+B 1616 0N 23 876,-0.6 876,-0.7 -2,-0.5 2,-0.3 -0.028 70.3 67.6 -90.3 31.1 16.8 26.4 32.6 741 303 B W S S- 0 0 34 -2,-0.3 -5,-0.4 -5,-0.2 2,-0.3 -0.908 95.4 -79.3-139.3 166.0 17.5 27.7 29.1 742 304 B D + 0 0 13 -2,-0.3 -7,-0.1 1,-0.2 -2,-0.1 -0.554 41.6 171.7 -69.4 126.5 15.6 29.7 26.5 743 305 B T - 0 0 7 -2,-0.3 33,-0.2 -4,-0.1 -1,-0.2 0.605 25.0-152.2-108.3 -19.9 13.2 27.5 24.6 744 306 B D + 0 0 10 1,-0.2 32,-3.0 31,-0.1 -9,-0.2 0.869 27.7 174.9 50.5 46.6 11.4 30.3 22.7 745 307 B E B -A 734 0M 21 -11,-2.3 -11,-1.0 30,-0.2 -1,-0.2 -0.469 37.2 -98.4 -78.5 156.7 8.1 28.5 22.4 746 308 B F - 0 0 7 30,-0.3 2,-0.6 -13,-0.2 -13,-0.2 -0.463 46.9 -98.5 -72.1 142.5 5.0 30.0 20.9 747 309 B P + 0 0 3 0, 0.0 50,-0.3 0, 0.0 51,-0.2 -0.523 64.3 139.9 -66.9 108.3 2.5 31.3 23.5 748 310 B T + 0 0 7 -2,-0.6 2,-0.7 49,-0.1 -2,-0.0 0.569 38.9 102.5-119.6 -24.0 -0.2 28.8 24.0 749 311 B D > - 0 0 43 1,-0.2 4,-1.8 2,-0.1 3,-0.2 -0.501 56.6-161.1 -66.1 110.8 -0.7 29.1 27.8 750 312 B L H > S+ 0 0 2 -2,-0.7 4,-2.1 1,-0.2 5,-0.2 0.706 84.3 61.3 -70.0 -23.4 -3.8 31.1 28.2 751 313 B Y H > S+ 0 0 22 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.959 107.8 46.2 -66.9 -43.5 -3.2 32.2 31.8 752 314 B S H > S+ 0 0 42 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.945 113.1 46.9 -61.3 -53.5 0.0 33.9 30.7 753 315 B T H X S+ 0 0 2 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.930 115.8 46.3 -57.9 -46.0 -1.5 35.7 27.6 754 316 B T H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.959 115.7 45.5 -57.4 -53.8 -4.5 36.8 29.7 755 317 B L H X S+ 0 0 24 -4,-3.2 4,-1.1 -5,-0.2 -2,-0.2 0.813 114.9 47.8 -62.7 -33.4 -2.3 38.0 32.6 756 318 B A H X S+ 0 0 0 -4,-2.9 4,-2.3 -5,-0.2 3,-0.5 0.943 110.7 50.6 -72.4 -48.2 0.2 39.7 30.2 757 319 B M H X S+ 0 0 1 -4,-2.9 4,-3.2 -5,-0.3 5,-0.3 0.829 103.7 59.9 -58.8 -34.1 -2.6 41.5 28.3 758 320 B Y H X S+ 0 0 12 -4,-2.1 4,-1.9 -5,-0.2 -1,-0.3 0.916 108.9 44.1 -59.7 -41.8 -4.1 42.7 31.6 759 321 B E H X S+ 0 0 4 -4,-1.1 4,-1.2 -3,-0.5 -2,-0.2 0.907 113.9 50.0 -68.1 -42.9 -0.8 44.5 32.2 760 322 B I H <>S+ 0 0 2 -4,-2.3 5,-2.7 2,-0.2 3,-0.3 0.913 110.3 49.0 -64.9 -43.3 -0.6 45.8 28.6 761 323 B L H ><5S+ 0 0 31 -4,-3.2 3,-1.5 1,-0.2 -1,-0.2 0.905 110.1 51.8 -64.1 -39.8 -4.2 47.1 28.7 762 324 B K H 3<5S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.761 102.5 59.5 -68.6 -21.6 -3.5 48.9 32.0 763 325 B N T 3<5S- 0 0 51 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.563 127.4-102.9 -80.3 -5.8 -0.4 50.5 30.5 764 326 B G T < 5S- 0 0 66 -3,-1.5 3,-0.3 -4,-0.3 -3,-0.2 0.644 72.7 -64.0 89.2 20.0 -2.8 52.0 27.9 765 327 B G S - 0 0 10 -289,-0.4 3,-2.4 1,-0.2 2,-0.6 0.608 63.8-173.4 -78.4 -14.6 1.6 48.7 23.6 767 329 B G T 3 S- 0 0 58 -3,-0.3 -1,-0.2 1,-0.3 -39,-0.1 -0.394 73.0 -1.2 60.7-104.1 1.7 52.2 22.2 768 330 B R T 3 S+ 0 0 95 -2,-0.6 -1,-0.3 -40,-0.2 -150,-0.1 0.609 127.5 68.0 -91.7 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-4,-0.2 2,-0.1 0.773 88.9 81.9 -62.3 -26.7 -10.2 28.2 72.4 946 70 C Y < - 0 0 86 -3,-1.1 2,-0.3 4,-0.1 -3,-0.0 -0.408 59.2-163.9 -84.7 159.1 -9.6 24.6 73.3 947 71 C S >> - 0 0 86 -2,-0.1 4,-1.8 4,-0.0 3,-1.0 -0.803 51.6 -10.5-129.6 171.0 -6.5 22.7 74.4 948 72 C G H 3> S- 0 0 47 -2,-0.3 4,-1.9 1,-0.2 3,-0.3 0.025 126.8 -7.6 41.9-137.9 -5.5 19.0 74.7 949 73 C M H 3> S+ 0 0 39 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.777 132.7 61.4 -62.7 -28.5 -8.2 16.4 74.3 950 74 C D H <> S+ 0 0 100 -3,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.927 107.4 45.7 -62.9 -42.5 -11.0 19.0 74.2 951 75 C L H X S+ 0 0 29 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.893 111.6 51.7 -63.9 -42.3 -9.3 20.4 71.1 952 76 C A H X S+ 0 0 6 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.942 114.8 42.2 -60.9 -46.4 -8.9 16.9 69.6 953 77 C K H X S+ 0 0 81 -4,-2.9 4,-2.2 2,-0.2 3,-0.3 0.925 111.5 55.0 -66.2 -46.2 -12.6 16.2 70.2 954 78 C A H X S+ 0 0 3 -4,-2.8 4,-2.8 1,-0.2 -2,-0.2 0.924 106.6 52.4 -53.4 -46.5 -13.6 19.7 69.0 955 79 C R H X S+ 0 0 46 -4,-2.5 4,-3.3 1,-0.2 -1,-0.2 0.861 105.8 53.5 -60.4 -36.7 -11.8 19.1 65.7 956 80 C V H X S+ 0 0 0 -4,-1.4 4,-2.4 -3,-0.3 5,-0.2 0.948 110.8 45.9 -65.0 -47.0 -13.6 15.8 65.1 957 81 C E H X S+ 0 0 80 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.942 116.9 45.6 -56.2 -50.6 -17.0 17.5 65.5 958 82 C A H X S+ 0 0 0 -4,-2.8 4,-2.8 -5,-0.2 -2,-0.2 0.909 109.0 56.9 -58.2 -44.8 -15.8 20.3 63.3 959 83 C A H X S+ 0 0 0 -4,-3.3 4,-2.6 1,-0.2 -2,-0.2 0.951 109.2 43.6 -54.8 -54.9 -14.3 17.9 60.8 960 84 C F H X S+ 0 0 9 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.805 111.3 54.3 -65.0 -29.3 -17.5 16.0 60.2 961 85 C E H X S+ 0 0 21 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.948 110.5 47.2 -66.2 -45.6 -19.5 19.3 60.0 962 86 C F H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.3 0.924 110.1 52.9 -60.7 -46.5 -17.1 20.5 57.3 963 87 C F H X>S+ 0 0 0 -4,-2.6 5,-1.8 1,-0.2 4,-1.5 0.900 111.7 46.3 -54.9 -46.6 -17.4 17.1 55.4 964 88 C E H <5S+ 0 0 139 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.946 113.3 47.0 -63.6 -50.3 -21.2 17.4 55.4 965 89 C K H <5S+ 0 0 31 -4,-2.6 -80,-2.7 1,-0.2 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4,-2.5 -2,-0.3 5,-0.2 0.870 117.6 56.7 -54.4 -41.3 3.8 5.2 74.0 986 110 C K H > S+ 0 0 62 738,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.910 108.6 47.9 -58.6 -42.3 1.0 3.7 76.2 987 111 C E H >> S+ 0 0 88 -3,-0.4 4,-2.1 2,-0.2 3,-0.5 0.964 108.3 53.2 -61.1 -54.8 -0.4 7.1 76.7 988 112 C T H 3X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.3 -2,-0.2 0.894 108.3 51.8 -45.7 -48.2 -0.3 8.0 73.0 989 113 C Y H 3X S+ 0 0 25 -4,-2.5 4,-2.8 2,-0.2 -1,-0.3 0.880 108.0 52.0 -57.4 -41.0 -2.3 4.8 72.3 990 114 C K H 4 S+ 0 0 70 -2,-1.6 3,-1.0 -3,-0.3 4,-0.2 -0.009 101.0 61.0-174.2 -42.2 -19.7 9.4 63.4 1003 127 C M H >< S+ 0 0 33 -4,-1.7 3,-1.1 -3,-0.3 -2,-0.2 0.800 94.2 71.8 -62.0 -32.3 -18.8 7.5 60.3 1004 128 C K T 3< S+ 0 0 152 -4,-1.1 -1,-0.2 1,-0.3 -3,-0.1 0.795 109.6 27.0 -50.2 -36.0 -21.9 5.7 61.5 1005 129 C T T < S+ 0 0 127 -3,-1.0 2,-0.3 3,-0.0 -1,-0.3 0.223 111.5 82.1-117.3 14.5 -24.0 8.6 60.5 1006 130 C S < - 0 0 29 -3,-1.1 -4,-0.1 -4,-0.2 -46,-0.0 -0.857 66.0-142.1-124.9 152.3 -21.9 10.2 57.7 1007 131 C K S S+ 0 0 92 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14.4 -12.1 63.5 1714 400 D A + 0 0 13 -6,-0.6 2,-0.3 -5,-0.2 -8,-0.0 -0.816 48.4 176.6-114.6 151.4 12.3 -9.1 64.5 1715 401 D D > - 0 0 60 -2,-0.3 4,-2.5 -624,-0.0 5,-0.3 -0.877 50.2 -86.8-140.3 177.1 8.6 -8.3 63.7 1716 402 D F H > S+ 0 0 2 -2,-0.3 4,-2.4 -628,-0.3 5,-0.2 0.813 123.4 58.0 -56.9 -29.9 6.1 -5.6 64.6 1717 403 D H H > S+ 0 0 70 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.970 110.9 37.6 -65.0 -54.8 5.2 -7.5 67.7 1718 404 D K H > S+ 0 0 86 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.897 117.3 52.2 -64.7 -43.2 8.7 -7.6 69.3 1719 405 D L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.927 112.6 44.8 -61.7 -43.2 9.5 -4.1 68.1 1720 406 D E H X S+ 0 0 28 -4,-2.4 4,-2.1 -5,-0.3 -2,-0.2 0.930 111.5 52.7 -65.2 -46.0 6.2 -2.7 69.6 1721 407 D A H X S+ 0 0 59 -4,-2.8 4,-0.8 1,-0.2 -2,-0.2 0.924 113.6 45.3 -53.3 -43.5 6.9 -4.7 72.8 1722 408 D H H >< S+ 0 0 35 -4,-2.7 3,-1.1 1,-0.2 4,-0.3 0.939 110.3 52.0 -65.6 -50.1 10.3 -3.1 72.9 1723 409 D A H >< S+ 0 0 0 -4,-3.0 3,-1.0 1,-0.3 -738,-0.3 0.790 102.6 62.4 -58.6 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-57.4 148.1 24.7 14.7 66.9 1734 420 D G - 0 0 4 -1392,-1.8 -1391,-0.2 -1394,-0.1 -1,-0.1 0.600 33.7-143.2 -79.2 -15.0 25.2 14.1 63.2 1735 421 D R > + 0 0 48 -1393,-0.3 4,-2.8 -1395,-0.1 5,-0.2 0.792 41.9 156.5 60.2 35.4 28.4 16.2 63.7 1736 422 D Q H > + 0 0 11 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 69.5 46.8 -59.7 -48.3 28.0 17.8 60.2 1737 423 D E H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 113.9 51.0 -63.5 -37.7 30.0 21.0 60.9 1738 424 D R H > S+ 0 0 37 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.949 110.8 46.8 -62.2 -53.3 32.7 18.9 62.5 1739 425 D L H X S+ 0 0 7 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.896 113.7 49.2 -55.6 -42.1 32.9 16.5 59.5 1740 426 D K H X S+ 0 0 42 -4,-2.6 4,-1.6 2,-0.2 -1,-0.2 0.883 110.6 50.0 -65.7 -40.5 33.0 19.5 57.1 1741 427 D T H X S+ 0 0 18 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.899 109.9 51.7 -63.2 -43.8 35.7 21.2 59.2 1742 428 D L H X S+ 0 0 28 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.920 104.5 55.5 -59.4 -48.3 37.7 17.9 59.1 1743 429 D L H X S+ 0 0 6 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.883 108.7 49.1 -50.8 -42.7 37.4 17.7 55.3 1744 430 D N H X S+ 0 0 10 -4,-1.6 4,-3.0 2,-0.2 -1,-0.2 0.896 106.9 54.2 -65.2 -43.8 38.9 21.2 55.1 1745 431 D Q H X S+ 0 0 30 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.956 111.5 45.3 -57.5 -47.4 41.8 20.3 57.4 1746 432 D Y H < S+ 0 0 30 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.852 110.6 54.0 -64.8 -34.6 42.6 17.3 55.2 1747 433 D L H >< S+ 0 0 5 -4,-1.9 3,-1.1 -5,-0.2 -2,-0.2 0.971 111.5 45.3 -61.3 -52.7 42.3 19.5 52.0 1748 434 D L H >< S+ 0 0 10 -4,-3.0 3,-0.6 1,-0.3 -1311,-0.2 0.630 100.3 69.7 -68.9 -14.6 44.8 22.0 53.5 1749 435 D E T 3< + 0 0 78 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.140 63.6 110.2 -88.8 21.9 47.2 19.2 54.6 1750 436 D V T < 0 0 38 -3,-1.1 -1,-0.2 -1316,-0.1 -2,-0.1 0.827 360.0 360.0 -66.6 -29.6 48.1 18.4 51.0 1751 437 D a < 0 0 109 -3,-0.6 -1316,-0.0 -1317,-0.2 -3,-0.0 -0.219 360.0 360.0 -47.4 360.0 51.6 19.9 51.4