==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 11-APR-13 4K3W . COMPND 2 MOLECULE: ENOYL-COA HYDRATASE/ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MARINOBACTER AQUAEOLEI; . AUTHOR S.ESWARAMOORTHY,S.CHAMALA,B.EVANS,F.FOTI,A.GIZZI,B.HILLERICH . 794 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31590.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 628 79.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 3.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 44 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 41.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.9 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 0 0 0 6 3 6 0 3 0 3 3 0 1 6 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 5 1 5 1 3 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 . 0 0 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 3 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 7 A C 0 0 89 0, 0.0 5,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 124.3 104.4 105.6 17.6 2 8 A E + 0 0 150 1,-0.1 28,-0.1 27,-0.1 3,-0.0 0.795 360.0 34.5 -76.5 -32.2 107.4 103.2 17.4 3 9 A T S S+ 0 0 3 26,-0.1 15,-2.8 1,-0.1 2,-0.3 0.626 114.3 47.7-107.5 -19.5 105.8 100.8 15.0 4 10 A L E -A 17 0A 7 13,-0.2 2,-0.6 15,-0.0 13,-0.2 -0.955 62.1-137.6-131.1 145.6 103.6 102.8 12.7 5 11 A I E -A 16 0A 66 11,-2.3 11,-2.6 -2,-0.3 2,-0.3 -0.916 25.8-159.9 -95.2 119.4 103.8 106.0 10.6 6 12 A L E +A 15 0A 67 -2,-0.6 2,-0.3 9,-0.2 9,-0.2 -0.776 12.8 176.0 -95.3 142.7 100.6 108.1 10.9 7 13 A E E -A 14 0A 104 7,-1.2 7,-3.2 -2,-0.3 2,-0.1 -0.892 21.5-143.4-147.1 119.9 99.6 110.7 8.3 8 14 A K + 0 0 117 -2,-0.3 5,-0.2 5,-0.2 39,-0.0 -0.414 21.2 175.0 -67.3 154.6 96.4 112.8 8.2 9 15 A Q > - 0 0 106 1,-0.7 3,-0.9 3,-0.4 -1,-0.0 -0.382 61.1 -61.3-167.4 70.9 95.1 113.4 4.7 10 16 A G T 3 S- 0 0 52 1,-0.2 -1,-0.7 37,-0.0 255,-0.0 -0.641 117.1 -17.2 76.0-134.9 91.8 115.2 4.7 11 17 A P T 3 S+ 0 0 33 0, 0.0 37,-5.0 0, 0.0 38,-1.4 0.398 125.0 82.7 -82.0 4.9 89.2 113.2 6.5 12 18 A T E < - b 0 49A 5 -3,-0.9 2,-0.5 35,-0.2 -3,-0.4 -0.942 65.7-147.2-122.9 122.5 91.3 110.0 6.3 13 19 A L E - b 0 50A 14 36,-2.3 38,-2.5 -2,-0.5 2,-0.7 -0.749 13.6-148.6 -80.7 120.8 94.1 108.8 8.5 14 20 A V E -Ab 7 51A 14 -7,-3.2 -7,-1.2 -2,-0.5 2,-0.6 -0.832 11.8-167.1 -93.2 114.7 96.8 106.7 6.7 15 21 A I E -Ab 6 52A 0 36,-3.1 38,-2.0 -2,-0.7 2,-0.5 -0.904 2.2-167.9-101.9 115.7 98.4 104.2 9.0 16 22 A T E -Ab 5 53A 7 -11,-2.6 -11,-2.3 -2,-0.6 2,-0.6 -0.922 21.7-131.4-106.1 129.0 101.5 102.6 7.6 17 23 A I E -Ab 4 54A 2 36,-2.7 38,-2.8 -2,-0.5 2,-0.6 -0.731 26.7-158.7 -80.2 122.0 102.9 99.5 9.3 18 24 A N + 0 0 62 -15,-2.8 -1,-0.1 -2,-0.6 38,-0.1 -0.718 58.6 91.1-121.8 77.6 106.6 100.4 9.7 19 25 A R > > + 0 0 47 -2,-0.6 5,-2.7 36,-0.3 3,-1.2 -0.226 34.2 152.2-153.6 50.5 108.9 97.4 10.2 20 26 A P G > 5 + 0 0 59 0, 0.0 3,-1.0 0, 0.0 -2,-0.0 0.657 67.2 71.4 -59.6 -22.1 109.9 96.6 6.6 21 27 A D G 3 5S+ 0 0 132 1,-0.2 35,-0.0 2,-0.1 -3,-0.0 0.868 110.5 28.9 -59.4 -45.8 113.2 95.1 8.0 22 28 A V G X 5S- 0 0 65 -3,-1.2 3,-1.9 3,-0.1 39,-0.3 -0.100 120.9-103.5-105.3 32.2 111.3 92.1 9.4 23 29 A R T < 5S- 0 0 143 -3,-1.0 38,-0.8 1,-0.3 39,-0.1 0.736 71.8 -64.8 55.2 27.4 108.5 92.3 6.7 24 30 A N T 3 > - 0 0 3 -2,-0.7 4,-2.4 36,-0.2 3,-0.6 -0.615 38.8-108.0-100.8 161.3 104.4 92.4 17.7 28 34 A L H 3> S+ 0 0 61 1,-0.3 4,-2.3 -2,-0.2 5,-0.1 0.832 121.2 58.1 -48.7 -39.7 102.5 92.9 20.9 29 35 A Q H 3> S+ 0 0 104 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.896 106.5 46.5 -61.6 -43.8 103.8 96.5 20.8 30 36 A X H <> S+ 0 0 0 -3,-0.6 4,-3.1 2,-0.2 5,-0.3 0.921 108.7 55.5 -62.6 -45.0 102.2 97.1 17.4 31 37 A V H X S+ 0 0 6 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.946 109.3 47.4 -53.1 -51.0 99.0 95.5 18.5 32 38 A A H X S+ 0 0 52 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.840 110.9 50.3 -61.0 -39.1 98.8 98.0 21.4 33 39 A E H X S+ 0 0 28 -4,-1.8 4,-3.1 2,-0.2 -1,-0.2 0.929 112.2 47.8 -66.9 -43.6 99.6 101.0 19.2 34 40 A L H X S+ 0 0 1 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.964 112.0 49.9 -58.4 -50.2 96.9 99.9 16.8 35 41 A S H X S+ 0 0 38 -4,-3.1 4,-2.0 -5,-0.3 -1,-0.2 0.899 113.6 47.1 -52.9 -42.1 94.5 99.4 19.7 36 42 A T H X S+ 0 0 85 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.952 110.4 49.3 -68.4 -52.2 95.5 102.9 20.9 37 43 A I H X S+ 0 0 23 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.938 113.5 47.8 -53.8 -48.0 95.1 104.7 17.6 38 44 A F H X S+ 0 0 3 -4,-2.7 4,-0.9 1,-0.2 -1,-0.2 0.874 111.2 50.0 -63.8 -38.3 91.7 103.2 17.0 39 45 A S H < S+ 0 0 77 -4,-2.0 4,-0.5 -5,-0.3 -1,-0.2 0.893 112.6 48.6 -63.7 -37.0 90.5 104.0 20.5 40 46 A E H < S+ 0 0 149 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.900 114.9 41.9 -72.4 -44.3 91.7 107.7 20.0 41 47 A I H >< S+ 0 0 14 -4,-2.5 3,-1.6 -5,-0.2 -1,-0.2 0.634 91.1 92.1 -75.6 -11.3 90.1 108.2 16.7 42 48 A E T 3< S+ 0 0 53 -4,-0.9 2,-0.2 1,-0.3 -1,-0.2 0.856 97.9 28.9 -56.0 -45.5 86.9 106.5 17.7 43 49 A N T 3 S+ 0 0 149 -4,-0.5 2,-0.4 -3,-0.4 -1,-0.3 -0.537 97.3 118.6-112.4 54.7 85.1 109.6 18.9 44 50 A D < - 0 0 66 -3,-1.6 -3,-0.0 -2,-0.2 -4,-0.0 -0.978 48.4-158.6-122.6 146.4 86.9 112.0 16.5 45 51 A I S S+ 0 0 143 -2,-0.4 -1,-0.1 1,-0.2 -4,-0.0 0.855 84.4 55.1 -95.0 -42.0 85.1 114.1 13.9 46 52 A S S S+ 0 0 55 2,-0.1 2,-0.6 1,-0.0 -1,-0.2 0.709 95.4 77.1 -70.0 -24.9 87.7 115.0 11.4 47 53 A I + 0 0 10 -6,-0.2 -35,-0.2 1,-0.2 -3,-0.2 -0.826 45.7 157.3 -92.9 118.5 88.7 111.4 10.8 48 54 A R + 0 0 29 -37,-5.0 56,-2.1 -2,-0.6 2,-0.3 0.724 65.1 25.4-107.3 -34.8 86.2 109.5 8.6 49 55 A A E -bc 12 104A 0 -38,-1.4 -36,-2.3 54,-0.2 2,-0.4 -0.943 59.6-150.6-133.5 153.4 88.3 106.7 7.2 50 56 A A E -bc 13 105A 0 54,-2.5 56,-2.9 -2,-0.3 2,-0.5 -0.995 12.1-156.4-126.2 121.9 91.5 104.7 8.3 51 57 A V E -bc 14 106A 0 -38,-2.5 -36,-3.1 -2,-0.4 2,-0.5 -0.870 4.7-158.6 -99.6 130.6 93.7 103.2 5.6 52 58 A L E +bc 15 107A 0 54,-3.2 56,-3.4 -2,-0.5 2,-0.3 -0.929 24.8 152.2-110.4 126.2 96.0 100.3 6.6 53 59 A R E -b 16 0A 77 -38,-2.0 -36,-2.7 -2,-0.5 2,-0.4 -0.985 35.9-125.2-150.8 152.8 99.0 99.6 4.5 54 60 A G E > -b 17 0A 1 54,-0.4 3,-0.7 -2,-0.3 2,-0.4 -0.844 21.7-124.6-103.0 140.4 102.4 98.1 5.0 55 61 A A T 3 S+ 0 0 18 -38,-2.8 -36,-0.3 -2,-0.4 3,-0.2 -0.664 91.9 27.7 -74.0 132.7 105.7 99.8 4.2 56 62 A G T 3 S- 0 0 64 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.587 125.1 -70.5 99.0 14.2 107.9 97.8 1.9 57 63 A G S < S+ 0 0 27 -3,-0.7 2,-0.4 1,-0.2 -1,-0.2 0.657 109.6 98.1 77.2 17.5 105.4 95.7 -0.2 58 64 A H - 0 0 46 -3,-0.2 53,-0.3 53,-0.2 -1,-0.2 -0.999 51.0-166.7-136.9 134.0 104.4 93.4 2.7 59 65 A F S S- 0 0 2 51,-1.7 2,-0.2 53,-1.3 54,-0.2 0.912 75.7 -22.4 -83.8 -51.0 101.4 93.8 5.0 60 66 A C B -g 113 0C 0 52,-2.7 54,-1.8 50,-0.2 -1,-0.2 -0.776 44.1-161.5-167.5 121.9 102.4 91.3 7.7 61 67 A A - 0 0 44 -38,-0.8 2,-0.3 -39,-0.3 54,-0.2 0.627 62.4 -86.1 -79.9 -16.0 104.8 88.3 7.8 62 68 A G - 0 0 13 52,-0.4 -36,-3.3 -38,-0.3 -1,-0.2 -0.971 69.1 -30.7 141.8-160.7 103.3 86.7 10.9 63 69 A G B -f 26 0B 51 -2,-0.3 2,-0.7 -38,-0.2 -36,-0.2 -0.244 67.3 -96.0 -82.5-179.8 103.9 87.2 14.6 64 70 A D >> - 0 0 22 -38,-0.8 4,-1.2 1,-0.1 3,-0.9 -0.909 21.0-149.7-102.0 115.4 107.2 88.2 16.2 65 71 A I H 3> S+ 0 0 138 -2,-0.7 4,-2.8 1,-0.2 5,-0.1 0.806 94.6 66.4 -51.4 -29.1 109.2 85.2 17.4 66 72 A K H 3> S+ 0 0 155 2,-0.2 4,-3.8 1,-0.2 -1,-0.2 0.881 94.9 52.6 -65.2 -40.9 110.5 87.5 20.1 67 73 A D H <> S+ 0 0 38 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.878 111.9 48.3 -62.6 -38.8 107.2 88.0 21.9 68 74 A X H X S+ 0 0 35 -4,-1.2 4,-3.1 2,-0.2 5,-0.3 0.964 112.1 47.3 -62.7 -52.6 106.9 84.2 22.0 69 75 A A H X S+ 0 0 56 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.976 112.7 51.2 -54.4 -52.1 110.5 83.9 23.3 70 76 A G H X S+ 0 0 30 -4,-3.8 4,-0.7 1,-0.2 -1,-0.2 0.889 111.3 47.5 -44.6 -47.8 109.7 86.6 25.8 71 77 A A H >< S+ 0 0 4 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.867 108.2 53.2 -72.4 -37.8 106.5 84.7 26.9 72 78 A R H 3< S+ 0 0 117 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.894 107.0 55.0 -55.9 -39.5 108.2 81.3 27.3 73 79 A S H 3< S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.680 95.6 84.0 -73.8 -18.9 110.8 83.0 29.5 74 80 A Q S << S- 0 0 107 -4,-0.7 2,-0.2 -3,-0.6 -3,-0.0 -0.236 98.1 -74.4 -79.0 172.9 108.1 84.3 31.9 75 81 A K - 0 0 166 1,-0.1 2,-0.5 7,-0.0 -1,-0.1 -0.482 50.5-115.4 -70.9 133.8 106.5 82.4 34.7 76 82 A A + 0 0 62 -2,-0.2 2,-0.2 6,-0.1 6,-0.1 -0.559 34.9 178.1 -70.4 114.1 104.0 79.7 33.7 77 83 A G - 0 0 15 -2,-0.5 0, 0.0 4,-0.1 0, 0.0 -0.574 23.0-142.3 -93.3 176.8 100.5 80.4 34.9 78 84 A E S S+ 0 0 194 -2,-0.2 -1,-0.1 4,-0.1 693,-0.0 0.591 75.3 32.4-113.8 -14.5 97.8 77.9 33.8 79 85 A G S S- 0 0 33 691,-0.0 6,-0.2 6,-0.0 3,-0.2 0.489 129.4 -36.5-110.2-119.9 94.7 80.0 33.1 80 86 A R S S+ 0 0 127 1,-0.2 6,-0.1 5,-0.1 -3,-0.0 0.277 133.1 73.5 -86.0 1.0 94.3 83.5 31.8 81 87 A D S S+ 0 0 119 4,-0.1 -1,-0.2 5,-0.0 -4,-0.1 0.748 70.5 105.9 -85.5 -24.1 97.4 83.9 33.8 82 88 A D S >> S- 0 0 6 -3,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.341 72.8-137.0 -54.6 121.6 99.4 82.0 31.2 83 89 A P H 3> S+ 0 0 8 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.670 104.6 57.5 -58.6 -22.3 101.7 84.4 29.2 84 90 A F H 3> S+ 0 0 2 2,-0.2 4,-2.3 3,-0.2 5,-0.2 0.843 105.7 49.6 -74.6 -38.0 100.8 82.6 26.0 85 91 A Y H <> S+ 0 0 16 -3,-0.9 4,-3.1 2,-0.2 5,-0.3 0.977 113.2 46.1 -57.2 -56.8 97.1 83.3 26.7 86 92 A K H X S+ 0 0 124 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.902 113.9 49.3 -58.8 -42.2 97.7 87.0 27.3 87 93 A L H < S+ 0 0 13 -4,-1.7 4,-0.5 -5,-0.2 -1,-0.2 0.959 116.7 39.8 -59.7 -53.6 99.9 87.2 24.3 88 94 A N H >X S+ 0 0 16 -4,-2.3 3,-1.9 1,-0.2 4,-1.0 0.938 109.6 58.5 -64.5 -44.3 97.5 85.6 21.9 89 95 A R H 3X S+ 0 0 12 -4,-3.1 4,-2.1 1,-0.3 -1,-0.2 0.815 95.2 63.7 -60.8 -34.4 94.3 87.2 23.3 90 96 A A H 3X S+ 0 0 30 -4,-1.4 4,-1.6 -5,-0.3 -1,-0.3 0.735 96.2 59.7 -65.5 -21.9 95.5 90.7 22.6 91 97 A F H <> S+ 0 0 23 -3,-1.9 4,-2.4 -4,-0.5 -1,-0.2 0.969 107.5 45.0 -68.8 -47.7 95.5 89.9 18.9 92 98 A G H X S+ 0 0 0 -4,-1.0 4,-2.6 2,-0.2 5,-0.2 0.875 110.0 54.7 -59.2 -41.6 91.8 89.1 19.0 93 99 A Q H X S+ 0 0 113 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.931 112.3 43.6 -57.4 -49.8 90.9 92.2 21.1 94 100 A X H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.918 113.5 49.5 -66.1 -42.7 92.5 94.5 18.6 95 101 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.925 113.4 47.3 -62.1 -41.3 91.1 92.8 15.6 96 102 A Q H X S+ 0 0 32 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.916 110.1 53.1 -65.6 -44.5 87.6 92.9 17.0 97 103 A Q H < S+ 0 0 49 -4,-2.4 4,-0.4 -5,-0.2 -1,-0.2 0.925 109.6 47.9 -57.7 -47.5 88.0 96.5 18.0 98 104 A V H >< S+ 0 0 1 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.873 108.5 55.7 -61.9 -36.5 89.0 97.4 14.4 99 105 A N H 3< S+ 0 0 8 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.915 113.8 40.1 -59.7 -42.6 86.0 95.4 13.0 100 106 A E T 3< S+ 0 0 101 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.286 85.2 129.6 -94.9 8.0 83.6 97.5 15.1 101 107 A S < - 0 0 5 -3,-0.8 4,-0.1 -4,-0.4 -62,-0.1 -0.311 62.8-130.8 -63.6 147.6 85.3 100.9 14.7 102 108 A S S S+ 0 0 35 -60,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.524 83.6 89.6 -78.6 -3.1 83.0 103.7 13.6 103 109 A K S S- 0 0 15 -5,-0.1 2,-0.6 -65,-0.1 -54,-0.2 -0.605 90.8-107.3 -93.8 151.8 85.5 104.6 10.9 104 110 A V E -c 49 0A 5 -56,-2.1 -54,-2.5 -2,-0.2 2,-0.5 -0.731 41.0-150.9 -71.6 119.6 85.5 103.2 7.4 105 111 A V E -c 50 0A 0 -2,-0.6 20,-2.2 -56,-0.2 21,-1.7 -0.856 14.6-172.8-107.9 121.5 88.5 100.9 7.4 106 112 A I E -cd 51 126A 0 -56,-2.9 -54,-3.2 -2,-0.5 2,-0.5 -0.966 6.0-160.1-118.1 130.5 90.4 100.2 4.2 107 113 A A E -cd 52 127A 0 19,-2.4 21,-2.6 -2,-0.4 2,-0.6 -0.941 5.0-161.0-115.8 124.6 93.1 97.7 4.0 108 114 A I E - d 0 128A 4 -56,-3.4 2,-0.6 -2,-0.5 -54,-0.4 -0.934 19.2-159.6-106.3 120.7 95.7 97.8 1.3 109 115 A T E + d 0 129A 0 19,-2.7 21,-2.5 -2,-0.6 2,-0.4 -0.877 17.6 166.9-123.0 105.4 97.1 94.4 1.2 110 116 A E - 0 0 31 -2,-0.6 -51,-1.7 2,-0.2 -50,-0.2 -0.944 50.8 -28.0-125.5 142.6 100.5 93.7 -0.4 111 117 A G S S+ 0 0 4 -2,-0.4 23,-3.5 -53,-0.3 2,-0.2 -0.302 116.3 24.9 61.6-131.1 102.9 90.8 -0.3 112 118 A A E - h 0 134C 20 21,-0.2 -52,-2.7 -55,-0.2 -53,-1.3 -0.488 60.9-179.2 -69.2 130.1 102.8 88.6 2.8 113 119 A V E +gh 60 135C 0 21,-2.3 23,-1.3 -2,-0.2 2,-0.3 -0.849 27.0 137.0-131.1 97.1 99.4 88.7 4.7 114 120 A X E >> - h 0 136C 19 -54,-1.8 3,-2.1 -2,-0.4 4,-0.8 -0.845 49.7 -8.5-136.6 170.7 99.6 86.5 7.7 115 121 A G H >> S+ 0 0 11 21,-0.5 4,-1.8 -2,-0.3 3,-1.1 -0.085 129.7 3.6 43.1-133.6 98.7 86.2 11.3 116 122 A G H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.725 133.2 56.8 -53.6 -29.1 97.4 89.5 12.7 117 123 A G H <> S+ 0 0 0 -3,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.850 104.1 50.6 -75.1 -36.9 97.6 91.1 9.3 118 124 A F H < S+ 0 0 0 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.866 108.5 51.8 -58.9 -41.3 92.9 92.9 9.9 121 127 A A H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.887 105.1 58.6 -60.0 -35.8 92.2 92.3 6.3 122 128 A C T 3< S+ 0 0 4 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.564 108.5 44.7 -75.0 -5.2 89.3 90.2 7.4 123 129 A V T < S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.251 86.7 114.5-123.3 15.0 87.8 93.0 9.3 124 130 A S < - 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0 0 27 -5,-2.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.844 60.4-125.2-112.0 146.6 99.9 75.8 16.5 145 151 A I - 0 0 3 -2,-0.3 2,-2.3 624,-0.1 3,-0.2 -0.788 13.3-139.4 -87.1 126.7 96.2 76.8 16.6 146 152 A P > + 0 0 6 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.410 47.6 159.6 -77.0 66.1 95.3 79.9 14.4 147 153 A A T 4 + 0 0 3 -2,-2.3 619,-0.1 1,-0.3 618,-0.1 0.791 60.5 32.6 -72.4 -40.1 93.2 80.8 17.3 148 154 A Q T 4 S+ 0 0 3 -3,-0.2 4,-0.3 617,-0.1 -1,-0.3 0.584 123.5 45.0 -92.0 -13.2 92.6 84.5 17.0 149 155 A I T >> S+ 0 0 10 -3,-0.3 4,-1.5 2,-0.1 3,-0.7 0.857 99.1 61.3 -99.4 -47.7 92.6 84.6 13.2 150 156 A A H 3X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.3 3,-0.2 0.865 98.3 58.9 -56.4 -40.0 90.5 81.7 11.9 151 157 A P H 3> S+ 0 0 2 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.901 107.8 46.3 -58.3 -37.7 87.4 83.0 13.6 152 158 A F H <> S+ 0 0 3 -3,-0.7 4,-2.2 -4,-0.3 -2,-0.2 0.798 108.2 57.0 -72.4 -24.4 87.6 86.2 11.6 153 159 A V H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.4 0.893 104.5 52.7 -70.2 -38.5 88.3 84.2 8.5 154 160 A V H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.933 113.0 43.3 -62.2 -42.7 85.0 82.4 9.1 155 161 A E H < S+ 0 0 61 -4,-1.7 271,-0.4 2,-0.2 -1,-0.2 0.891 115.1 51.3 -68.1 -37.7 83.0 85.7 9.3 156 162 A R H < S+ 0 0 8 -4,-2.2 270,-0.2 1,-0.2 -2,-0.2 0.961 133.6 4.3 -65.9 -54.5 84.9 87.1 6.4 157 163 A I H < S- 0 0 23 -4,-2.8 4,-0.4 1,-0.1 -3,-0.2 0.466 107.3-104.6-116.1 -3.5 84.3 84.3 3.9 158 164 A G X - 0 0 31 -4,-2.3 4,-2.5 -5,-0.4 5,-0.2 0.127 33.6 -80.1 90.8 154.5 82.1 81.8 5.6 159 165 A L H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 121.0 58.6 -60.0 -41.3 82.6 78.4 7.2 160 166 A T H > S+ 0 0 11 526,-0.4 4,-0.8 1,-0.2 -1,-0.2 0.912 115.3 32.5 -58.9 -48.7 82.6 76.4 3.9 161 167 A Q H > S+ 0 0 36 -4,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.857 117.4 56.2 -78.9 -34.7 85.6 78.3 2.4 162 168 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.3 0.868 99.9 60.2 -61.7 -42.0 87.3 78.9 5.7 163 169 A R H X S+ 0 0 5 -4,-2.6 4,-1.9 -5,-0.2 5,-0.3 0.854 107.1 45.4 -46.6 -52.9 87.4 75.1 6.5 164 170 A R H X S+ 0 0 24 -4,-0.8 4,-1.6 -5,-0.2 6,-0.3 0.943 116.7 44.5 -63.9 -47.2 89.4 74.4 3.5 165 171 A L H <>S+ 0 0 4 -4,-1.8 5,-1.8 1,-0.2 -28,-0.3 0.896 120.0 38.5 -63.7 -45.6 91.9 77.2 4.0 166 172 A A H ><5S+ 0 0 1 -4,-3.0 3,-0.7 3,-0.2 -26,-0.3 0.920 117.8 44.3 -78.5 -44.8 92.4 76.7 7.7 167 173 A L H 3<5S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.762 118.7 41.6 -82.3 -25.7 92.4 73.0 8.0 168 174 A L T 3<5S- 0 0 6 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.316 105.3-130.6 -92.6 4.3 94.7 72.3 5.0 169 175 A G T < 5 - 0 0 5 -3,-0.7 -3,-0.2 1,-0.1 -4,-0.1 0.878 42.4-179.2 51.6 47.3 96.9 75.3 6.0 170 176 A L < - 0 0 32 -5,-1.8 -33,-1.5 -6,-0.3 2,-0.5 -0.325 27.3-147.6 -82.5 158.1 96.8 76.7 2.5 171 177 A R E -I 136 0C 169 -35,-0.2 2,-0.3 -2,-0.1 -35,-0.3 -0.997 24.7-172.7-119.6 125.7 98.5 79.8 1.2 172 178 A I E -I 135 0C 9 -37,-3.3 -37,-3.2 -2,-0.5 2,-0.1 -0.828 15.4-121.7-123.7 165.7 96.5 81.6 -1.6 173 179 A D E > -I 134 0C 76 -2,-0.3 4,-2.7 -39,-0.2 5,-0.2 -0.298 36.7 -91.0 -98.4-179.0 97.1 84.4 -4.0 174 180 A A H > S+ 0 0 3 -41,-0.7 4,-1.7 -43,-0.3 5,-0.2 0.854 121.4 51.6 -64.0 -40.4 95.3 87.7 -4.7 175 181 A T H > S+ 0 0 101 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.879 113.3 43.5 -68.0 -38.3 93.0 86.4 -7.3 176 182 A E H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 111.2 55.3 -73.9 -40.2 91.8 83.5 -5.2 177 183 A A H X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 6,-1.3 0.821 109.5 47.7 -57.2 -35.3 91.4 85.8 -2.1 178 184 A C H <5S+ 0 0 26 -4,-1.7 3,-0.5 4,-0.2 -1,-0.2 0.926 108.9 52.4 -74.4 -46.2 89.2 88.1 -4.1 179 185 A K H <5S+ 0 0 152 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.890 114.2 44.5 -54.9 -37.1 87.0 85.3 -5.4 180 186 A L H <5S- 0 0 21 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.680 116.7-112.4 -83.8 -19.5 86.5 84.1 -1.8 181 187 A G T <5S+ 0 0 4 -4,-1.0 -3,-0.2 -3,-0.5 -4,-0.1 0.586 82.6 121.7 95.2 15.5 85.9 87.5 -0.4 182 188 A I S S- 0 0 49 1,-0.1 4,-1.6 0, 0.0 5,-0.1 -0.981 81.7-103.2-158.3 167.5 99.8 97.3 -10.7 190 196 A E H > S+ 0 0 123 -2,-0.3 4,-1.3 1,-0.2 -1,-0.1 0.787 121.6 55.8 -59.8 -27.4 101.0 99.8 -8.1 191 197 A E H > S+ 0 0 133 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 103.4 48.9 -71.7 -48.7 99.2 102.4 -10.2 192 198 A Q H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.865 106.4 59.8 -64.2 -33.9 95.8 100.8 -10.2 193 199 A L H X S+ 0 0 9 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.927 104.8 49.0 -54.0 -51.4 96.1 100.5 -6.5 194 200 A S H X S+ 0 0 51 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.919 112.4 46.7 -57.3 -47.7 96.4 104.3 -6.2 195 201 A D H X S+ 0 0 81 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.954 114.3 47.9 -60.6 -48.7 93.4 104.9 -8.4 196 202 A X H X S+ 0 0 28 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.907 112.7 48.6 -59.8 -44.6 91.3 102.3 -6.5 197 203 A L H X S+ 0 0 31 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.935 112.8 48.1 -62.2 -42.1 92.3 103.8 -3.2 198 204 A N H X S+ 0 0 87 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.926 109.0 52.7 -66.0 -46.1 91.5 107.3 -4.4 199 205 A Q H X S+ 0 0 126 -4,-3.2 4,-1.6 1,-0.2 -1,-0.2 0.842 111.2 47.9 -53.3 -36.3 88.1 106.3 -5.7 200 206 A A H X S+ 0 0 6 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.886 111.0 48.9 -78.8 -39.8 87.3 104.8 -2.4 201 207 A L H X S+ 0 0 23 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.860 106.9 57.5 -66.3 -35.0 88.4 107.8 -0.5 202 208 A E H X S+ 0 0 88 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.939 106.9 49.8 -53.1 -46.5 86.3 109.9 -2.9 203 209 A R H X S+ 0 0 70 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.876 107.7 52.4 -62.6 -38.8 83.4 107.7 -1.7 204 210 A V H < S+ 0 0 5 -4,-1.7 3,-0.3 1,-0.2 -1,-0.2 0.883 106.3 54.4 -64.6 -39.4 84.2 108.3 2.0 205 211 A R H < S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.883 109.1 48.0 -61.9 -38.4 84.3 112.1 1.4 206 212 A L H < S+ 0 0 33 -4,-1.7 2,-0.3 -5,-0.2 -1,-0.2 0.721 98.4 84.0 -78.2 -19.4 80.8 112.0 -0.1 207 213 A C S < S- 0 0 2 -4,-1.1 200,-0.3 -3,-0.3 199,-0.1 -0.624 85.4-113.7 -91.2 144.7 79.3 109.8 2.7 208 214 A A > - 0 0 0 198,-2.1 4,-2.4 -2,-0.3 5,-0.2 -0.589 18.3-141.8 -82.4 131.0 78.1 111.4 5.9 209 215 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.851 96.4 42.8 -61.7 -47.4 80.1 110.4 9.0 210 216 A D H > S+ 0 0 96 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.955 117.9 46.1 -66.2 -47.7 77.4 110.1 11.6 211 217 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.868 112.3 52.6 -59.4 -36.9 75.1 108.2 9.3 212 218 A T H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.974 110.3 47.1 -66.8 -48.0 78.0 106.0 8.2 213 219 A A H X S+ 0 0 23 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.889 112.9 48.1 -60.3 -42.5 78.8 105.1 11.8 214 220 A E H X S+ 0 0 64 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.888 112.3 50.3 -68.0 -34.6 75.2 104.3 12.7 215 221 A T H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.2 3,-0.3 0.958 107.3 52.9 -67.4 -46.1 74.8 102.2 9.6 216 222 A K H X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.3 -2,-0.2 0.915 107.4 51.2 -58.5 -46.6 78.0 100.2 10.3 217 223 A A H X S+ 0 0 51 -4,-2.0 4,-0.8 1,-0.2 -1,-0.3 0.852 108.8 52.9 -59.5 -33.5 76.9 99.3 13.9 218 224 A L H >X S+ 0 0 8 -4,-1.5 3,-0.7 -3,-0.3 4,-0.6 0.918 104.8 55.5 -69.1 -39.3 73.5 98.1 12.4 219 225 A L H >< S+ 0 0 3 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.848 102.3 55.1 -58.6 -41.6 75.3 95.9 10.0 220 226 A H H 3< S+ 0 0 30 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.751 104.1 56.7 -68.8 -21.4 77.3 94.1 12.7 221 227 A R H X< S+ 0 0 65 -4,-0.8 3,-1.8 -3,-0.7 4,-0.4 0.648 79.2 109.6 -80.8 -15.2 74.0 93.2 14.5 222 228 A V T << S+ 0 0 15 -3,-0.9 203,-0.1 -4,-0.6 4,-0.1 -0.411 86.2 14.3 -69.2 132.0 72.5 91.4 11.6 223 229 A G T 3 S+ 0 0 43 2,-0.6 -1,-0.3 -2,-0.2 -2,-0.1 0.257 112.0 78.9 92.1 -10.0 72.2 87.7 12.1 224 230 A H S < S+ 0 0 122 -3,-1.8 2,-0.3 1,-0.1 -2,-0.2 0.312 101.0 23.7-111.0 1.1 72.9 87.9 15.9 225 231 A E S S- 0 0 71 -4,-0.4 -2,-0.6 0, 0.0 -1,-0.1 -0.951 104.6 -69.8-155.1 163.4 69.4 88.9 17.0 226 232 A A > - 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R 0 437F 2 -23,-1.3 -21,-0.4 -2,-0.5 35,-0.2 -0.983 35.6-162.6-139.0 149.4 72.4 101.4 -5.2 403 143 B X + 0 0 2 33,-1.6 3,-0.4 -2,-0.4 4,-0.2 -0.719 30.0 154.9-118.8 76.3 72.6 102.5 -1.6 404 144 B P >> + 0 0 54 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.527 41.1 105.0 -79.4 0.6 73.0 106.3 -1.9 405 145 B E G >4>S+ 0 0 28 1,-0.3 3,-2.4 2,-0.2 5,-2.2 0.864 73.6 49.5 -52.6 -52.2 71.4 106.9 1.5 406 146 B T G >45S+ 0 0 2 -3,-0.4 -198,-2.1 1,-0.3 3,-1.4 0.788 101.5 67.1 -63.6 -27.2 74.5 107.8 3.6 407 147 B T G <45S+ 0 0 33 -3,-0.9 -1,-0.3 -200,-0.3 -2,-0.2 0.706 104.7 42.8 -55.6 -26.1 75.4 110.2 0.9 408 148 B L G <<5S- 0 0 59 -3,-2.4 -1,-0.2 -4,-0.6 -2,-0.2 0.171 125.5-100.5-106.5 12.1 72.3 112.3 1.8 409 149 B G T < 5S+ 0 0 1 -3,-1.4 2,-0.3 1,-0.3 -3,-0.2 0.745 83.8 132.1 72.9 24.3 72.9 111.9 5.6 410 150 B V < - 0 0 29 -5,-2.2 -1,-0.3 -6,-0.2 -2,-0.2 -0.842 57.6-129.7-112.8 147.1 70.3 109.2 5.7 411 151 B I - 0 0 1 -2,-0.3 2,-2.3 -173,-0.1 3,-0.3 -0.817 12.9-141.0 -90.8 124.2 70.5 105.7 7.4 412 152 B P >> + 0 0 5 0, 0.0 4,-2.4 0, 0.0 3,-0.7 -0.321 45.7 158.6 -79.3 64.3 69.5 102.9 5.0 413 153 B A T 34 + 0 0 2 -2,-2.3 -178,-0.1 1,-0.3 -179,-0.1 0.800 63.0 33.6 -70.3 -41.9 67.8 101.4 8.1 414 154 B Q T 34 S+ 0 0 3 -3,-0.3 -1,-0.3 -180,-0.1 4,-0.2 0.548 124.5 42.9 -90.7 -7.2 65.2 99.0 6.7 415 155 B I T X> S+ 0 0 9 -3,-0.7 4,-1.7 2,-0.1 3,-0.9 0.827 100.0 60.5-104.9 -49.1 67.3 98.0 3.5 416 156 B A H 3X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.3 3,-0.2 0.889 99.3 58.7 -54.1 -42.1 70.9 97.4 4.5 417 157 B P H 3> S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.890 107.4 47.4 -54.4 -40.0 70.0 94.6 7.0 418 158 B F H <> S+ 0 0 1 -3,-0.9 4,-1.9 1,-0.2 -2,-0.2 0.815 107.9 56.4 -71.9 -27.6 68.4 92.6 4.2 419 159 B V H X S+ 0 0 0 -4,-1.7 4,-2.8 -3,-0.2 5,-0.3 0.897 107.8 48.8 -63.5 -38.4 71.4 93.3 2.0 420 160 B V H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.912 113.0 46.1 -71.1 -42.9 73.6 91.7 4.7 421 161 B E H < S+ 0 0 53 -4,-2.1 270,-0.3 -5,-0.2 -1,-0.2 0.862 115.5 48.8 -63.3 -35.0 71.3 88.7 4.9 422 162 B R H < S+ 0 0 8 -4,-1.9 -2,-0.2 -5,-0.2 269,-0.2 0.933 132.4 7.9 -77.6 -45.3 71.2 88.5 1.2 423 163 B I H < S- 0 0 23 -4,-2.8 4,-0.4 1,-0.2 -3,-0.2 0.433 107.8-100.0-118.7 -1.1 75.0 88.7 0.3 424 164 B G X - 0 0 32 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.092 35.2 -84.7 92.7 151.8 76.9 88.5 3.7 425 165 B L H > S+ 0 0 34 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.884 121.4 60.1 -58.6 -42.2 78.4 91.2 5.9 426 166 B T H > S+ 0 0 11 -271,-0.4 4,-0.9 -270,-0.2 -1,-0.2 0.947 114.2 33.1 -56.3 -52.5 81.7 91.3 4.0 427 167 B Q H > S+ 0 0 34 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.890 118.7 54.4 -75.5 -34.6 80.1 92.2 0.6 428 168 B A H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 5,-0.4 0.830 99.9 59.1 -65.2 -36.2 77.4 94.4 2.2 429 169 B R H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.885 108.6 46.9 -63.3 -34.8 79.7 96.6 4.3 430 170 B R H X S+ 0 0 25 -4,-0.9 4,-1.7 -5,-0.3 6,-0.3 0.952 115.0 43.6 -70.2 -48.7 81.4 97.7 1.1 431 171 B L H <>S+ 0 0 4 -4,-1.7 5,-2.0 1,-0.2 -28,-0.3 0.924 122.5 37.9 -61.4 -44.2 78.1 98.4 -0.9 432 172 B A H ><5S+ 0 0 1 -4,-2.6 3,-1.0 3,-0.2 -26,-0.3 0.911 117.0 45.9 -77.7 -47.1 76.5 100.2 2.0 433 173 B L H 3<5S+ 0 0 1 -4,-2.0 -3,-0.2 -5,-0.4 -1,-0.2 0.796 120.0 39.8 -79.0 -25.3 79.3 102.1 3.6 434 174 B L T 3<5S- 0 0 8 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.288 104.7-131.2 -94.4 7.4 80.7 103.4 0.3 435 175 B G T < 5 + 0 0 6 -3,-1.0 -3,-0.2 1,-0.1 -4,-0.1 0.884 42.1 179.3 43.0 55.9 77.2 104.0 -1.1 436 176 B L < - 0 0 32 -5,-2.0 -33,-1.6 -6,-0.3 2,-0.5 -0.380 28.1-147.0 -87.6 161.9 78.0 102.3 -4.4 437 177 B R E -R 402 0F 174 -35,-0.2 2,-0.3 -2,-0.1 -35,-0.3 -0.999 24.1-169.8-127.5 122.1 75.8 101.7 -7.3 438 178 B I E -R 401 0F 6 -37,-2.7 -37,-2.7 -2,-0.5 2,-0.1 -0.845 16.3-121.4-120.8 156.4 76.5 98.5 -9.2 439 179 B D E > -R 400 0F 73 -2,-0.3 4,-2.1 -39,-0.2 -39,-0.2 -0.172 38.8 -92.7 -85.8-178.1 75.4 96.9 -12.4 440 180 B A H > S+ 0 0 3 -41,-0.5 4,-2.6 -43,-0.4 9,-0.2 0.887 120.0 54.1 -69.5 -42.6 73.6 93.6 -13.0 441 181 B T H > S+ 0 0 100 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.868 112.3 44.2 -57.1 -43.9 76.7 91.5 -13.6 442 182 B E H > S+ 0 0 48 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.864 111.2 54.9 -71.3 -34.2 78.2 92.6 -10.3 443 183 B A H X>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 6,-1.0 0.892 111.4 45.0 -65.5 -36.8 74.8 92.1 -8.6 444 184 B C H ><5S+ 0 0 35 -4,-2.6 3,-1.1 3,-0.2 -2,-0.2 0.949 109.3 54.0 -69.5 -48.8 74.7 88.5 -9.8 445 185 B K H 3<5S+ 0 0 145 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.872 113.3 44.7 -53.9 -37.0 78.3 87.8 -8.9 446 186 B L H 3<5S- 0 0 21 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.604 117.0-112.5 -82.5 -16.0 77.5 89.0 -5.3 447 187 B G T <<5S+ 0 0 4 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.631 81.8 123.6 90.4 15.9 74.2 87.1 -5.0 448 188 B I S S- 0 0 46 1,-0.1 4,-2.2 -58,-0.0 -1,-0.2 -0.975 81.2-110.8-147.7 158.9 67.6 90.5 -23.6 456 196 B E H > S+ 0 0 103 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.896 121.2 54.3 -53.4 -39.3 63.9 90.9 -22.8 457 197 B E H > S+ 0 0 138 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 106.7 47.9 -61.9 -45.0 63.4 87.6 -24.6 458 198 B Q H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.878 109.5 56.6 -65.2 -34.2 66.0 85.8 -22.4 459 199 B L H X S+ 0 0 2 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.902 107.8 46.6 -64.7 -40.9 64.2 87.4 -19.4 460 200 B S H X S+ 0 0 42 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.890 111.8 50.3 -64.8 -46.8 60.9 85.9 -20.4 461 201 B D H X S+ 0 0 76 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.867 110.8 48.1 -59.9 -42.9 62.3 82.5 -21.0 462 202 B X H X S+ 0 0 38 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 112.6 49.9 -67.5 -42.5 64.1 82.4 -17.6 463 203 B L H X S+ 0 0 15 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.941 111.8 48.1 -58.9 -45.8 60.9 83.5 -15.9 464 204 B N H X S+ 0 0 92 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.847 109.9 51.7 -66.4 -37.3 58.9 80.8 -17.8 465 205 B Q H X S+ 0 0 133 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.883 110.5 49.4 -61.8 -41.2 61.4 78.1 -16.8 466 206 B A H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.931 110.0 49.9 -65.4 -43.3 61.2 79.2 -13.2 467 207 B L H X S+ 0 0 23 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.847 107.2 55.6 -66.5 -31.1 57.4 79.1 -13.3 468 208 B E H X S+ 0 0 83 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.888 106.4 50.6 -63.0 -40.5 57.5 75.6 -14.8 469 209 B R H X S+ 0 0 71 -4,-1.6 4,-0.9 1,-0.2 -2,-0.2 0.929 108.4 52.9 -65.0 -39.8 59.6 74.5 -11.9 470 210 B V H >< S+ 0 0 5 -4,-2.2 3,-0.5 1,-0.2 -2,-0.2 0.873 105.3 54.5 -60.6 -40.4 57.0 76.0 -9.6 471 211 B R H 3< S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.915 108.8 48.8 -59.4 -41.5 54.2 74.0 -11.3 472 212 B L H 3< S+ 0 0 30 -4,-1.7 2,-0.4 -5,-0.1 -1,-0.2 0.675 96.3 85.6 -74.7 -15.2 56.1 70.7 -10.7 473 213 B C S << S- 0 0 2 -4,-0.9 199,-0.3 -3,-0.5 198,-0.1 -0.695 85.6-114.2 -97.6 136.2 56.8 71.4 -7.0 474 214 B A > - 0 0 0 197,-2.4 4,-2.2 -2,-0.4 5,-0.2 -0.471 21.2-137.6 -74.4 133.2 54.1 70.5 -4.4 475 215 B P H > S+ 0 0 35 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.873 97.2 41.6 -61.4 -51.0 52.6 73.5 -2.7 476 216 B D H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.896 117.3 49.1 -65.5 -37.7 52.4 72.4 1.0 477 217 B A H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 110.7 51.0 -69.0 -37.5 55.9 70.7 0.8 478 218 B T H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.941 112.3 46.8 -62.6 -48.1 57.4 73.9 -0.8 479 219 B A H X S+ 0 0 18 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.858 113.5 47.2 -63.3 -40.0 55.9 76.1 2.0 480 220 B E H X S+ 0 0 53 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.888 113.3 49.1 -68.1 -40.9 57.0 73.8 4.8 481 221 B T H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.948 108.3 53.4 -64.1 -47.2 60.5 73.6 3.3 482 222 B K H X S+ 0 0 4 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.895 106.5 52.8 -52.0 -45.3 60.7 77.4 2.9 483 223 B A H X S+ 0 0 49 -4,-1.8 4,-0.7 1,-0.2 -1,-0.2 0.873 109.7 48.6 -65.3 -37.8 59.8 77.9 6.6 484 224 B L H >X S+ 0 0 8 -4,-1.6 4,-0.9 1,-0.2 3,-0.9 0.865 104.2 59.3 -66.8 -37.3 62.6 75.5 7.7 485 225 B L H >< S+ 0 0 5 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.927 103.8 52.9 -59.1 -39.9 65.1 77.2 5.4 486 226 B H H 3< S+ 0 0 30 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.709 103.7 57.2 -66.6 -22.0 64.5 80.5 7.3 487 227 B R H X< S+ 0 0 63 -3,-0.9 3,-2.1 -4,-0.7 4,-0.2 0.675 79.0 111.3 -84.7 -15.9 65.2 78.8 10.7 488 228 B V T << S+ 0 0 12 -3,-0.9 4,-0.1 -4,-0.9 202,-0.1 -0.335 84.6 13.4 -66.1 135.3 68.6 77.7 9.8 489 229 B G T 3 S+ 0 0 35 2,-0.4 -1,-0.3 -2,-0.0 -2,-0.1 0.436 110.9 82.0 80.6 1.5 71.3 79.5 11.8 490 230 B H S < S+ 0 0 115 -3,-2.1 2,-0.3 1,-0.1 -2,-0.2 0.221 98.5 21.7-117.7 10.6 68.9 81.0 14.3 491 231 B E S S- 0 0 81 -4,-0.2 -2,-0.4 0, 0.0 2,-0.1 -0.966 103.1 -63.3-163.3 166.7 68.6 78.0 16.6 492 232 B A > - 0 0 75 -2,-0.3 4,-1.7 1,-0.1 3,-0.2 -0.433 42.4-136.1 -61.6 132.7 70.5 74.9 17.5 493 233 B X H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.852 99.4 59.4 -54.4 -41.2 70.7 72.6 14.5 494 234 B A H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.918 109.3 42.7 -62.6 -43.5 69.9 69.4 16.4 495 235 B G H > S+ 0 0 30 -3,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.802 111.3 55.6 -71.2 -31.5 66.5 70.7 17.5 496 236 B L H X S+ 0 0 2 -4,-1.7 4,-3.2 2,-0.2 -2,-0.2 0.933 107.7 49.1 -63.3 -45.8 65.8 72.1 14.0 497 237 B L H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.821 108.5 54.4 -65.7 -31.9 66.4 68.6 12.6 498 238 B D H X S+ 0 0 42 -4,-1.4 4,-1.6 2,-0.2 -1,-0.2 0.948 112.8 41.7 -60.6 -54.0 64.0 67.2 15.2 499 239 B D H X S+ 0 0 61 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.919 113.3 54.7 -61.7 -40.1 61.3 69.6 14.1 500 240 B A H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.847 104.9 52.8 -63.3 -34.2 62.2 69.0 10.5 501 241 B A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.842 107.3 52.1 -72.2 -33.8 61.8 65.2 10.9 502 242 B E H X S+ 0 0 75 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.892 108.9 50.0 -62.9 -43.1 58.3 65.7 12.3 503 243 B K H X S+ 0 0 78 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.908 109.7 52.3 -61.6 -41.4 57.4 67.9 9.3 504 244 B F H X S+ 0 0 17 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.904 110.6 47.2 -55.0 -46.7 58.8 65.1 7.1 505 245 B A H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.957 112.2 48.7 -64.5 -52.3 56.6 62.5 8.9 506 246 B A H X S+ 0 0 66 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.874 111.0 50.9 -53.1 -43.4 53.4 64.7 8.7 507 247 B A H < S+ 0 0 14 -4,-2.3 6,-1.0 1,-0.2 7,-0.3 0.882 108.7 51.3 -66.3 -40.0 54.0 65.3 4.9 508 248 B I H < S+ 0 0 8 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.894 111.5 47.3 -62.3 -42.4 54.4 61.6 4.2 509 249 B R H < S+ 0 0 103 -4,-2.2 -2,-0.2 -5,-0.1 -1,-0.2 0.968 105.3 79.9 -61.1 -51.4 51.1 60.8 6.0 510 250 B G S X S- 0 0 21 -4,-2.4 4,-1.9 -5,-0.2 3,-0.4 0.261 96.9 -86.3 -63.7 175.2 49.2 63.6 4.2 511 251 B P H > S+ 0 0 116 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.786 118.7 49.8 -48.3 -46.2 47.6 64.1 0.7 512 252 B E H > S+ 0 0 36 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.864 109.4 49.9 -71.7 -40.8 50.6 65.3 -1.2 513 253 B G H > S+ 0 0 1 -6,-1.0 4,-2.2 -3,-0.4 5,-0.2 0.964 112.9 46.7 -60.2 -53.8 52.9 62.6 -0.2 514 254 B A H >X S+ 0 0 53 -4,-1.9 4,-1.9 -7,-0.3 3,-0.6 0.980 117.5 44.2 -47.4 -58.7 50.4 59.9 -1.0 515 255 B E H 3X S+ 0 0 57 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.876 112.0 53.4 -58.5 -40.9 49.8 61.6 -4.4 516 256 B G H 3X S+ 0 0 2 -4,-3.3 4,-1.7 2,-0.2 -1,-0.3 0.843 106.4 50.4 -65.0 -36.5 53.5 62.2 -5.0 517 257 B T H S+ 0 0 4 -4,-2.0 5,-2.8 -5,-0.2 -1,-0.2 0.934 111.3 43.9 -59.3 -45.6 52.8 59.9 -9.6 520 260 B F H ><5S+ 0 0 129 -4,-1.7 3,-1.4 3,-0.2 -2,-0.2 0.901 112.8 52.6 -65.4 -44.1 56.5 58.6 -9.6 521 261 B X H 3<5S+ 0 0 138 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.917 113.9 42.7 -55.9 -46.1 55.3 55.0 -9.6 522 262 B Q T 3<5S- 0 0 109 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.105 108.2-122.8 -89.8 22.5 53.1 55.6 -12.6 523 263 B K T < 5S+ 0 0 172 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.817 74.3 121.1 36.5 44.6 55.7 57.7 -14.5 524 264 B R S - 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0 0 90 -5,-2.4 -2,-0.2 -6,-0.3 -1,-0.2 -0.935 68.0 -95.8-125.2 147.3 113.1 69.3 9.4 790 265 C E - 0 0 89 -2,-0.3 2,-0.1 -3,-0.1 -53,-0.0 -0.236 43.9-115.1 -51.7 139.4 109.7 67.7 9.1 791 266 C P >> - 0 0 18 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.460 33.0-101.1 -74.7 161.5 107.8 67.3 12.5 792 267 C K G >4 S+ 0 0 131 1,-0.3 3,-1.4 2,-0.2 -2,-0.1 0.840 119.3 61.3 -60.1 -36.9 107.1 63.8 13.6 793 268 C W G 34 S+ 0 0 31 1,-0.3 -1,-0.3 -16,-0.1 -55,-0.1 0.737 102.2 54.3 -63.0 -19.6 103.4 63.8 12.5 794 269 C A G <4 S+ 0 0 0 -3,-1.8 -1,-0.3 -57,-0.1 -2,-0.2 0.735 82.1 137.9 -80.3 -20.0 104.6 64.4 9.0 795 270 C E << 0 0 142 -3,-1.4 -3,-0.1 -4,-0.7 -58,-0.0 0.085 360.0 360.0 -38.0 113.0 106.9 61.3 9.2 796 271 C L 0 0 181 -255,-0.0 -1,-0.1 0, 0.0 -255,-0.0 0.936 360.0 360.0 -66.7 360.0 106.8 59.1 6.0