==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-AUG-09 3IRU . COMPND 2 MOLECULE: PHOSHONOACETALDEHYDE HYDROLASE LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: OLEISPIRA ANTARCTICA; . AUTHOR C.CHANG,E.EVDOKIMOVA,O.KAGAN,A.SAVCHENKO,A.EDWARDS,A.JOACHIM . 552 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 386 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 2 0.4 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 . 9 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 216 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.9 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 2 2 0 1 3 4 4 2 2 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 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 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 0 A H 0 0 153 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -68.3 10.4 106.8 26.5 2 1 A X - 0 0 59 1,-0.0 2,-0.3 520,-0.0 517,-0.0 -0.487 360.0-149.5 -87.9 140.1 12.4 103.9 25.1 3 2 A L - 0 0 129 -2,-0.2 2,-0.3 516,-0.0 520,-0.1 -0.706 17.4-169.6 -91.6 153.3 12.2 102.3 21.6 4 3 A K - 0 0 134 -2,-0.3 2,-0.4 519,-0.1 519,-0.2 -0.939 8.4-138.8-139.5 162.6 12.9 98.6 21.2 5 4 A A - 0 0 32 517,-1.8 2,-0.5 -2,-0.3 519,-0.1 -0.939 9.7-152.2-125.9 145.6 13.5 96.3 18.3 6 5 A N - 0 0 138 -2,-0.4 2,-0.5 517,-0.1 519,-0.1 -0.995 26.2-156.1-106.7 119.9 12.5 92.8 17.1 7 6 A V + 0 0 78 -2,-0.5 2,-0.3 518,-0.2 517,-0.0 -0.842 18.1 175.5-102.7 128.0 15.3 91.7 14.8 8 7 A F - 0 0 104 -2,-0.5 2,-0.5 262,-0.0 472,-0.1 -0.904 37.4 -99.5-133.5 161.1 14.4 89.1 12.3 9 8 A C - 0 0 14 -2,-0.3 264,-0.2 1,-0.1 265,-0.0 -0.646 29.5-172.5 -78.4 123.7 15.8 87.2 9.4 10 9 A A - 0 0 52 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.298 34.8-177.8-104.5 11.7 14.5 88.7 6.1 11 10 A G - 0 0 28 1,-0.2 -1,-0.3 259,-0.2 2,-0.2 -0.190 56.8-156.3 71.0-166.6 15.9 86.1 3.8 12 11 A P - 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.600 66.2 -87.6 -76.5 175.3 16.3 85.2 1.1 13 12 A V - 0 0 9 250,-0.2 175,-0.2 -2,-0.2 3,-0.1 -0.193 39.4-169.1 -50.6 130.8 16.8 81.4 1.8 14 13 A E + 0 0 48 173,-2.5 114,-2.6 1,-0.2 2,-0.3 0.830 58.9 1.1 -89.0 -40.8 20.4 80.6 2.5 15 14 A A E -ab 128 188A 0 172,-1.2 174,-2.0 112,-0.2 2,-0.4 -0.970 49.8-140.2-153.3 155.4 20.5 76.7 2.5 16 15 A L E -ab 129 189A 0 112,-2.5 114,-2.7 -2,-0.3 2,-0.5 -0.998 12.3-163.4-124.2 130.3 18.6 73.5 1.9 17 16 A I E -ab 130 190A 0 172,-2.8 174,-3.4 -2,-0.4 2,-0.4 -0.969 17.8-172.9-113.2 116.0 19.1 70.4 4.1 18 17 A L E -ab 131 191A 0 112,-2.5 114,-1.4 -2,-0.5 174,-0.2 -0.917 21.5-131.4-119.3 132.6 17.7 67.3 2.5 19 18 A D E -a 132 0A 7 172,-2.4 5,-0.3 -2,-0.4 114,-0.2 -0.140 20.3-139.8 -57.2 167.7 17.3 63.7 3.7 20 19 A W S >>>S+ 0 0 1 112,-0.5 5,-2.4 3,-0.2 4,-2.2 0.876 73.9 65.0 -98.0 -73.9 18.5 61.0 1.3 21 20 A A B 345S-f 25 0B 8 1,-0.3 172,-0.3 2,-0.2 195,-0.2 -0.372 122.8 -1.1 -65.0 122.6 16.3 57.9 1.2 22 21 A G T 345S+ 0 0 0 3,-2.8 -1,-0.3 4,-0.5 6,-0.2 0.447 133.1 60.7 83.5 3.3 12.9 58.8 -0.3 23 22 A T T <45S- 0 0 0 -3,-2.0 233,-0.5 2,-0.6 -2,-0.2 0.662 124.9 -0.8-126.8 -62.2 13.9 62.5 -0.7 24 23 A T T <5S+ 0 0 0 -4,-2.2 88,-2.6 -5,-0.3 2,-0.3 0.737 134.6 18.0-108.9 -30.9 16.9 62.8 -3.0 25 24 A I B S- 0 0 5 84,-1.4 3,-2.4 82,-0.4 -4,-0.5 0.991 73.1-130.2 62.5 76.6 15.6 55.7 -3.6 27 26 A F T 3 S+ 0 0 25 1,-0.3 3,-0.4 83,-0.2 188,-0.2 -0.350 93.9 15.2 -55.7 125.3 12.0 56.4 -4.8 28 27 A G T 3 S- 0 0 0 186,-3.0 -1,-0.3 1,-0.2 187,-0.2 0.382 108.8-106.3 87.7 -4.0 9.6 54.9 -2.3 29 28 A S < + 0 0 1 -3,-2.4 4,-0.5 185,-0.5 -1,-0.2 0.932 69.1 150.5 47.7 55.2 12.3 54.6 0.4 30 29 A L > + 0 0 9 -3,-0.4 4,-2.4 1,-0.2 5,-0.3 0.735 44.4 82.3 -90.1 -19.5 12.5 50.8 -0.1 31 30 A A H > S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.920 94.9 44.7 -58.3 -47.3 16.2 50.2 0.8 32 31 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.893 113.0 54.7 -64.1 -29.8 15.6 50.2 4.5 33 32 A V H > S+ 0 0 1 -4,-0.5 4,-2.5 2,-0.2 3,-0.3 0.993 111.0 40.3 -65.1 -62.0 12.5 48.0 4.1 34 33 A Y H X S+ 0 0 100 -4,-2.4 4,-2.3 1,-0.3 -1,-0.2 0.847 116.6 52.8 -53.9 -38.3 14.2 45.2 2.1 35 34 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -1,-0.3 0.882 109.3 47.7 -65.9 -41.2 17.2 45.4 4.4 36 35 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 -3,-0.3 5,-0.2 0.871 110.7 52.7 -68.4 -33.3 15.0 45.1 7.5 37 36 A X H X S+ 0 0 62 -4,-2.5 4,-2.2 2,-0.2 10,-0.2 0.941 111.3 46.0 -63.2 -48.4 13.2 42.1 6.0 38 37 A E H X S+ 0 0 92 -4,-2.3 4,-1.8 -5,-0.2 -2,-0.2 0.955 112.2 51.6 -59.0 -50.6 16.5 40.4 5.3 39 38 A L H < S+ 0 0 3 -4,-2.5 3,-0.2 1,-0.2 -2,-0.2 0.928 116.3 38.5 -50.6 -54.8 17.8 41.2 8.8 40 39 A F H ><>S+ 0 0 1 -4,-2.5 5,-2.8 1,-0.2 3,-1.4 0.778 108.5 63.3 -72.3 -26.0 14.8 39.8 10.6 41 40 A K H ><5S+ 0 0 140 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.904 98.7 55.8 -62.4 -39.8 14.4 36.8 8.2 42 41 A Q T 3<5S+ 0 0 145 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.350 106.3 51.3 -76.1 5.9 17.8 35.6 9.3 43 42 A E T < 5S- 0 0 20 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.242 124.5-105.5-114.7 5.3 16.5 35.5 12.9 44 43 A G T < 5S+ 0 0 51 -3,-1.7 2,-0.5 1,-0.2 -3,-0.2 0.691 83.3 120.3 78.5 22.3 13.4 33.5 11.8 45 44 A I < - 0 0 5 -5,-2.8 2,-0.9 -8,-0.1 -2,-0.2 -0.974 53.4-147.8-119.8 125.9 10.9 36.4 11.9 46 45 A E - 0 0 171 -2,-0.5 2,-0.2 -3,-0.1 -9,-0.1 -0.816 20.2-165.7 -92.5 103.8 9.0 37.6 8.9 47 46 A V - 0 0 7 -2,-0.9 2,-0.2 -10,-0.2 -6,-0.0 -0.588 12.3-131.0 -85.7 148.5 8.4 41.4 9.2 48 47 A T > - 0 0 69 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.564 23.8-109.9 -91.1 161.2 5.9 43.3 7.1 49 48 A Q H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.896 119.5 54.2 -54.2 -42.4 6.5 46.5 5.1 50 49 A A H > S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.919 108.3 48.5 -62.4 -43.4 4.3 48.5 7.6 51 50 A E H 4 S+ 0 0 26 1,-0.2 3,-0.2 2,-0.2 -1,-0.2 0.892 113.5 48.2 -57.6 -39.6 6.3 47.2 10.6 52 51 A A H < S+ 0 0 0 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 112.7 47.7 -74.4 -30.5 9.5 48.2 8.8 53 52 A R H >< S+ 0 0 20 -4,-2.0 3,-1.2 -5,-0.2 -1,-0.2 0.608 88.2 86.6 -86.8 -18.0 8.3 51.7 7.9 54 53 A E T 3< S+ 0 0 145 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.918 100.0 29.0 -55.1 -53.2 6.9 52.7 11.3 55 54 A P T > S+ 0 0 5 0, 0.0 3,-1.7 0, 0.0 -1,-0.3 0.251 86.3 151.7 -92.7 15.8 10.1 54.1 12.8 56 55 A X T < + 0 0 7 -3,-1.2 139,-0.1 1,-0.2 3,-0.1 -0.064 58.8 36.9 -44.4 138.4 11.6 55.2 9.4 57 56 A G T 3 S+ 0 0 6 1,-0.4 110,-0.4 139,-0.1 -1,-0.2 0.134 89.6 109.1 101.8 -20.8 14.0 58.2 9.8 58 57 A T S < S- 0 0 0 -3,-1.7 -1,-0.4 1,-0.1 76,-0.1 -0.398 85.7 -80.4 -79.1 164.9 15.6 57.3 13.1 59 58 A E > - 0 0 41 108,-0.4 4,-2.6 1,-0.1 3,-0.2 -0.351 51.7-111.6 -58.5 148.4 19.2 56.1 13.5 60 59 A K H > S+ 0 0 7 74,-1.0 4,-2.2 1,-0.2 5,-0.2 0.831 114.3 50.4 -69.2 -36.4 19.3 52.4 12.6 61 60 A S H > S+ 0 0 22 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.901 114.1 48.7 -65.0 -35.7 20.1 50.9 16.0 62 61 A E H > S+ 0 0 55 2,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.933 109.0 53.0 -61.2 -47.8 17.1 53.0 17.3 63 62 A H H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.878 111.0 46.7 -52.0 -44.7 15.0 51.7 14.4 64 63 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.934 109.9 52.9 -65.2 -46.3 15.9 48.1 15.4 65 64 A R H < S+ 0 0 106 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.886 112.0 46.0 -56.5 -41.7 15.1 48.8 19.1 66 65 A R H X S+ 0 0 103 -4,-2.5 4,-0.5 2,-0.2 3,-0.5 0.868 109.5 53.1 -70.3 -40.7 11.7 50.1 18.1 67 66 A X H >< S+ 0 0 2 -4,-2.0 3,-1.2 1,-0.2 6,-0.2 0.917 108.2 50.6 -61.3 -43.6 10.9 47.3 15.7 68 67 A L T 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.688 105.1 60.7 -64.9 -17.6 11.7 44.8 18.5 69 68 A G T 34 S+ 0 0 61 -4,-0.5 -1,-0.2 -3,-0.5 -2,-0.2 0.549 76.8 105.9 -86.6 -14.0 9.3 46.9 20.6 70 69 A N S S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.847 103.5 48.7 -64.8 -35.0 4.1 43.7 20.2 72 71 A R H > S+ 0 0 106 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.917 115.8 43.8 -66.4 -44.7 3.8 41.1 17.3 73 72 A I H > S+ 0 0 0 -6,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.928 111.3 53.8 -66.2 -45.4 7.6 41.1 16.7 74 73 A A H X S+ 0 0 36 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.902 111.1 47.6 -53.1 -44.6 8.3 41.0 20.4 75 74 A N H X S+ 0 0 106 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.849 110.6 50.6 -62.7 -41.0 6.0 37.9 20.6 76 75 A A H < S+ 0 0 25 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.854 111.0 50.5 -66.2 -34.9 7.7 36.3 17.6 77 76 A W H >X S+ 0 0 3 -4,-2.6 4,-3.1 1,-0.2 3,-1.0 0.905 113.1 44.0 -67.1 -44.7 11.1 36.9 19.3 78 77 A L H 3X S+ 0 0 89 -4,-2.1 4,-1.3 1,-0.3 -2,-0.2 0.894 109.5 55.6 -69.4 -40.0 10.0 35.3 22.6 79 78 A S H 3< S+ 0 0 85 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.1 0.057 121.6 30.4 -84.2 26.1 8.3 32.3 20.9 80 79 A I H <4 S+ 0 0 91 -3,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.377 124.3 38.4-140.2 -51.4 11.6 31.6 19.1 81 80 A K H < S- 0 0 75 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.1 0.519 98.6-127.9 -87.7 -6.5 14.6 32.7 21.2 82 81 A G S < S+ 0 0 64 -4,-1.3 2,-0.3 -5,-0.3 -4,-0.2 0.357 81.2 54.2 79.2 -5.0 12.8 31.5 24.4 83 82 A Q S S- 0 0 116 -6,-0.4 -2,-0.3 1,-0.0 -3,-0.2 -0.952 92.4 -75.8-151.8 166.9 13.4 34.9 26.1 84 83 A A - 0 0 68 -2,-0.3 2,-0.1 1,-0.1 -9,-0.1 -0.153 52.2 -93.8 -61.1 153.3 12.8 38.6 25.7 85 84 A S - 0 0 40 -17,-0.2 2,-0.3 -11,-0.1 -1,-0.1 -0.450 49.1-170.9 -55.6 140.1 14.8 41.0 23.4 86 85 A N >> - 0 0 57 -2,-0.1 4,-1.7 -3,-0.1 3,-0.8 -0.885 39.6 -99.8-135.5 174.1 17.7 42.7 25.1 87 86 A E H 3> S+ 0 0 73 -2,-0.3 4,-2.4 1,-0.3 5,-0.1 0.788 119.7 60.6 -60.9 -30.1 20.2 45.5 24.5 88 87 A E H 3> S+ 0 0 140 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.839 105.1 47.7 -63.6 -39.1 22.9 42.8 23.7 89 88 A D H <> S+ 0 0 20 -3,-0.8 4,-3.0 2,-0.2 5,-0.2 0.879 109.6 51.7 -71.3 -42.4 20.7 41.6 20.8 90 89 A I H X S+ 0 0 18 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.932 111.0 50.1 -56.2 -48.9 20.1 45.1 19.4 91 90 A K H X S+ 0 0 148 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.915 113.9 43.3 -54.5 -48.5 23.9 45.5 19.6 92 91 A R H X S+ 0 0 98 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.922 115.3 49.0 -65.0 -44.1 24.6 42.3 17.7 93 92 A L H X S+ 0 0 2 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.853 107.4 55.4 -67.3 -35.7 21.8 43.0 15.1 94 93 A Y H X S+ 0 0 69 -4,-2.6 4,-1.0 -5,-0.2 3,-0.3 0.940 107.1 48.9 -62.5 -46.4 23.1 46.5 14.5 95 94 A D H < S+ 0 0 101 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.882 112.3 49.0 -65.2 -36.5 26.5 45.2 13.6 96 95 A L H X S+ 0 0 81 -4,-1.9 4,-1.0 1,-0.2 -1,-0.3 0.811 102.5 67.6 -60.9 -33.1 25.0 42.6 11.2 97 96 A F H X S+ 0 0 0 -4,-1.6 4,-2.8 -3,-0.3 5,-0.2 0.865 84.4 64.2 -67.1 -42.9 22.8 45.3 9.6 98 97 A A H X S+ 0 0 28 -4,-1.0 4,-2.6 1,-0.2 -1,-0.2 0.903 103.3 45.7 -55.3 -50.9 25.4 47.6 7.8 99 98 A P H > S+ 0 0 96 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.925 115.3 49.8 -57.7 -39.5 26.7 45.0 5.3 100 99 A I H X S+ 0 0 41 -4,-1.0 4,-1.2 1,-0.2 3,-0.3 0.937 113.9 44.5 -59.7 -48.5 23.0 44.0 4.6 101 100 A Q H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.2 0.858 102.9 65.0 -65.0 -38.7 21.9 47.6 4.1 102 101 A T H X S+ 0 0 37 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.874 101.2 50.6 -57.6 -40.4 24.9 48.6 1.9 103 102 A R H X S+ 0 0 172 -4,-1.2 4,-2.0 -3,-0.3 -1,-0.2 0.947 112.9 43.5 -59.3 -54.3 23.8 46.2 -0.8 104 103 A I H X S+ 0 0 4 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.915 111.2 56.0 -63.1 -41.4 20.2 47.4 -1.0 105 104 A V H < S+ 0 0 4 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.890 108.2 48.5 -53.9 -40.6 21.5 51.0 -0.8 106 105 A A H >< S+ 0 0 49 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.841 108.1 54.4 -70.1 -35.3 23.7 50.3 -3.9 107 106 A Q H 3< S+ 0 0 125 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.820 114.4 41.8 -62.8 -30.5 20.7 48.7 -5.7 108 107 A R T 3< S+ 0 0 47 -4,-1.6 -82,-0.4 -3,-0.2 -1,-0.2 -0.187 72.1 117.7-119.4 43.7 18.6 51.9 -5.2 109 108 A S < + 0 0 13 -3,-0.8 2,-0.2 -84,-0.1 -1,-0.2 0.235 34.7 126.5-101.4 16.4 20.9 54.9 -5.7 110 109 A Q - 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0 0 5 -5,-2.8 2,-0.9 -8,-0.1 -2,-0.2 -0.947 51.7-150.1-115.6 130.6 50.1 104.2 19.1 323 45 B E - 0 0 170 -2,-0.4 2,-0.2 -3,-0.1 -9,-0.1 -0.851 20.2-167.3 -98.7 100.0 48.1 105.3 22.1 324 46 B V - 0 0 9 -2,-0.9 2,-0.2 -10,-0.2 -6,-0.0 -0.578 13.0-130.8 -83.1 149.2 44.5 103.9 21.7 325 47 B T > - 0 0 70 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.559 24.1-109.5 -90.8 163.1 41.6 105.1 23.9 326 48 B Q H > S+ 0 0 83 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.908 119.1 55.3 -54.1 -43.6 39.1 102.9 25.8 327 49 B A H > S+ 0 0 74 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.897 108.2 46.7 -61.5 -43.1 36.3 104.0 23.4 328 50 B E H 4 S+ 0 0 24 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.909 113.3 50.3 -60.9 -41.2 38.4 102.8 20.3 329 51 B A H < S+ 0 0 0 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.831 111.7 48.2 -68.8 -31.0 39.2 99.5 22.1 330 52 B R H >< S+ 0 0 18 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.626 86.6 86.2 -86.5 -18.1 35.5 98.9 23.0 331 53 B E T 3< S+ 0 0 158 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.900 100.4 30.7 -57.9 -46.4 33.9 99.5 19.6 332 54 B P T > S+ 0 0 6 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 0.343 84.3 150.5 -95.3 14.5 34.4 96.0 18.2 333 55 B X T < + 0 0 8 -3,-1.2 139,-0.1 1,-0.2 3,-0.1 -0.037 62.0 36.2 -41.6 136.9 34.1 94.2 21.6 334 56 B G T 3 S+ 0 0 8 1,-0.4 110,-0.4 139,-0.1 -1,-0.2 0.084 88.7 108.1 102.7 -26.5 32.7 90.7 21.0 335 57 B T S < S- 0 0 1 -3,-2.0 -1,-0.4 1,-0.1 76,-0.1 -0.380 86.4 -85.5 -74.6 162.7 34.3 89.8 17.7 336 58 B E > - 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k 0 487C 0 17,-2.2 19,-1.7 -2,-0.4 23,-0.1 -0.984 46.0-146.0-156.5 157.7 25.9 88.7 26.4 470 192 B D S S+ 0 0 1 -172,-0.3 2,-0.4 -2,-0.3 24,-0.3 0.261 81.0 73.5-107.2 6.6 27.2 92.3 27.1 471 193 B T S > S- 0 0 3 1,-0.1 4,-2.4 22,-0.1 5,-0.2 -0.926 78.9-126.6-127.0 147.3 28.0 93.0 23.4 472 194 B L H > S+ 0 0 51 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.916 113.4 52.1 -52.6 -44.8 26.0 93.8 20.3 473 195 B P H > S+ 0 0 20 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.892 108.1 51.4 -62.6 -36.0 27.8 91.0 18.4 474 196 B G H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.921 109.2 50.9 -62.6 -45.1 26.9 88.5 21.2 475 197 B I H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.4 0.970 110.1 48.2 -56.1 -53.3 23.2 89.5 21.0 476 198 B E H X S+ 0 0 68 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.800 105.3 61.0 -59.0 -30.9 23.1 89.0 17.2 477 199 B E H X S+ 0 0 0 -4,-1.5 4,-0.9 -5,-0.2 -1,-0.2 0.934 106.6 44.8 -62.3 -48.9 24.8 85.7 17.7 478 200 B G H ><>S+ 0 0 0 -4,-1.8 5,-2.5 -3,-0.4 3,-0.5 0.928 112.6 52.6 -56.2 -49.1 21.8 84.4 19.8 479 201 B L H ><5S+ 0 0 17 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.926 110.0 46.7 -54.1 -45.1 19.3 85.9 17.4 480 202 B R H 3<5S+ 0 0 63 -4,-2.5 -295,-2.4 1,-0.3 -1,-0.2 0.728 106.1 60.5 -76.9 -14.8 20.8 84.1 14.4 481 203 B A T <<5S- 0 0 0 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.497 118.7-108.2 -90.1 2.6 21.0 80.9 16.3 482 204 B G T < 5S+ 0 0 3 -3,-1.5 -17,-0.2 -4,-0.4 -3,-0.2 0.662 77.9 131.3 79.5 19.8 17.2 80.8 16.8 483 205 B X < - 0 0 1 -5,-2.5 -1,-0.2 -6,-0.2 -17,-0.2 -0.551 64.2-105.8-102.9 169.5 17.6 81.6 20.5 484 206 B W E -k 466 0C 1 -19,-2.6 -17,-2.7 -22,-0.3 2,-0.4 -0.547 42.1-143.7 -77.9 157.4 16.2 84.0 23.1 485 207 B T E -k 467 0C 0 -19,-0.2 43,-1.4 -2,-0.2 42,-0.9 -0.991 17.6-169.0-130.6 138.1 18.6 86.8 24.0 486 208 B V E -kl 468 528C 0 -19,-3.2 -17,-2.2 -2,-0.4 2,-0.3 -0.990 10.3-155.7-119.4 126.3 19.5 88.6 27.2 487 209 B G E -kl 469 529C 0 41,-3.0 43,-2.5 -2,-0.5 2,-0.5 -0.739 7.8-145.8 -89.1 144.6 21.7 91.7 27.3 488 210 B V E - l 0 530C 0 -19,-1.7 6,-0.3 -2,-0.3 43,-0.2 -0.972 16.5-178.4-111.2 131.3 23.6 92.7 30.4 489 211 B S + 0 0 0 41,-2.5 6,-0.3 -2,-0.5 3,-0.3 0.891 68.3 35.5 -99.0 -45.7 23.8 96.4 30.9 490 212 B C S S+ 0 0 4 41,-1.0 7,-0.3 40,-0.3 6,-0.2 0.866 111.8 48.7 -88.4 -38.0 25.9 97.2 34.0 491 213 B S S S+ 0 0 0 40,-1.7 -186,-3.2 -192,-0.1 -185,-0.4 0.454 108.2 48.6 -84.2 0.2 28.6 94.6 34.4 492 214 B G S >> S- 0 0 0 -3,-0.3 4,-2.2 -187,-0.2 3,-1.0 -0.150 103.3 -48.5-123.2-148.2 30.0 94.8 30.8 493 215 B N T 34 S+ 0 0 13 1,-0.2 -22,-0.1 -195,-0.2 -4,-0.1 0.677 115.3 67.3 -67.9 -21.7 31.2 96.6 27.8 494 216 B E T 34 S+ 0 0 22 -6,-0.3 -1,-0.2 -24,-0.3 -4,-0.1 0.829 118.8 20.6 -71.4 -30.4 28.3 99.1 27.7 495 217 B V T <4 S- 0 0 11 -3,-1.0 -2,-0.2 -6,-0.3 -5,-0.1 0.841 84.9-164.7 -99.0 -56.1 29.4 100.7 30.9 496 218 B G < + 0 0 2 -4,-2.2 2,-0.3 1,-0.3 -3,-0.1 0.605 38.5 129.1 87.0 14.0 33.0 99.7 31.1 497 219 B L - 0 0 31 -7,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 -0.787 58.0-118.5-102.6 144.8 33.8 100.5 34.7 498 220 B D > - 0 0 41 -2,-0.3 4,-1.9 -193,-0.1 5,-0.1 -0.214 40.0 -96.3 -69.5 174.5 35.3 98.1 37.2 499 221 B R H > S+ 0 0 113 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.848 123.1 51.6 -64.8 -37.4 33.3 97.2 40.3 500 222 B E H > S+ 0 0 151 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.937 111.4 46.7 -67.1 -45.2 34.8 99.8 42.5 501 223 B D H > S+ 0 0 83 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.802 109.6 56.1 -66.9 -29.9 34.2 102.6 40.0 502 224 B W H >< S+ 0 0 24 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.915 110.2 42.0 -70.2 -43.3 30.6 101.4 39.5 503 225 B Q H 3< S+ 0 0 123 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.730 104.0 65.8 -80.4 -15.4 29.6 101.6 43.1 504 226 B A H 3< S+ 0 0 85 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.776 89.0 90.5 -66.0 -27.7 31.4 104.9 43.7 505 227 B L S << S- 0 0 37 -4,-0.7 2,-0.2 -3,-0.5 -3,-0.0 -0.249 81.6-118.1 -65.2 156.0 28.8 106.4 41.2 506 228 B S > - 0 0 56 1,-0.1 4,-2.8 4,-0.0 3,-0.5 -0.517 32.3 -94.2 -91.9 166.3 25.5 107.8 42.6 507 229 B S H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.873 125.9 45.6 -39.4 -52.7 22.0 106.5 41.9 508 230 B D H > S+ 0 0 128 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.790 110.5 51.2 -69.6 -34.9 21.6 109.0 39.0 509 231 B E H > S+ 0 0 95 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.933 114.0 45.8 -67.6 -46.9 25.0 108.4 37.4 510 232 B Q H X S+ 0 0 38 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.956 111.2 51.9 -56.8 -51.7 24.3 104.7 37.4 511 233 B Q H X S+ 0 0 82 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.882 108.6 52.4 -54.2 -39.1 20.8 105.2 36.0 512 234 B S H X S+ 0 0 80 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.927 112.8 42.7 -65.5 -46.5 22.2 107.3 33.2 513 235 B Y H X S+ 0 0 91 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.939 113.9 51.4 -60.3 -51.0 24.7 104.6 32.2 514 236 B R H X S+ 0 0 39 -4,-3.1 4,-3.3 1,-0.2 5,-0.2 0.908 109.3 52.6 -52.2 -45.6 22.1 101.9 32.6 515 237 B Q H X S+ 0 0 75 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.906 110.4 44.9 -58.9 -51.0 19.8 103.9 30.4 516 238 B H H X S+ 0 0 109 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.938 115.3 49.6 -60.3 -46.2 22.2 104.3 27.6 517 239 B A H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.932 109.9 49.4 -58.2 -51.5 23.2 100.6 27.8 518 240 B E H X S+ 0 0 39 -4,-3.3 4,-2.8 1,-0.2 5,-0.3 0.883 108.5 54.2 -55.9 -41.8 19.6 99.3 27.7 519 241 B Q H X S+ 0 0 81 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.912 109.3 45.6 -68.0 -40.4 18.8 101.4 24.7 520 242 B R H X S+ 0 0 87 -4,-1.8 4,-0.7 2,-0.2 -1,-0.2 0.905 116.5 45.6 -66.2 -40.0 21.6 100.1 22.6 521 243 B L H ><>S+ 0 0 0 -4,-2.1 5,-2.1 2,-0.2 3,-1.1 0.952 113.0 48.9 -71.0 -48.0 21.0 96.5 23.5 522 244 B F H ><5S+ 0 0 16 -4,-2.8 -517,-1.8 1,-0.3 3,-1.2 0.838 110.3 52.6 -57.3 -35.7 17.2 96.7 23.0 523 245 B N H 3<5S+ 0 0 60 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.618 102.0 58.2 -84.7 -11.7 17.8 98.3 19.7 524 246 B A T <<5S- 0 0 26 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.347 129.5 -96.9 -84.1 0.2 20.1 95.5 18.7 525 247 B G T < 5 + 0 0 2 -3,-1.2 -518,-0.2 1,-0.2 -3,-0.2 0.584 63.4 165.6 95.0 10.9 17.1 93.1 19.3 526 248 B A < - 0 0 4 -5,-2.1 -1,-0.2 1,-0.2 -521,-0.2 -0.395 30.6-149.1 -56.5 131.1 17.9 91.9 22.8 527 249 B H S S+ 0 0 30 -42,-0.9 2,-0.3 1,-0.2 -41,-0.2 0.835 79.5 9.1 -70.6 -31.6 14.8 90.2 24.2 528 250 B Y E -l 486 0C 35 -43,-1.4 -41,-3.0 -7,-0.0 2,-0.4 -0.971 63.2-158.6-144.2 153.0 15.6 91.3 27.8 529 251 B V E +l 487 0C 15 -2,-0.3 2,-0.3 -43,-0.2 -41,-0.2 -0.990 17.5 170.9-134.2 131.2 18.2 93.5 29.4 530 252 B I E -l 488 0C 20 -43,-2.5 -41,-2.5 -2,-0.4 -40,-0.3 -0.877 43.0-111.0-132.4 165.1 19.2 93.2 33.0 531 253 B D S S- 0 0 50 -2,-0.3 -40,-1.7 -43,-0.2 -41,-1.0 0.886 90.1 -25.3 -61.5 -45.8 22.0 94.8 35.2 532 254 B S S > S- 0 0 18 -42,-0.2 3,-1.7 -43,-0.1 -1,-0.2 -0.926 73.8 -85.7-159.5 171.8 24.0 91.6 35.6 533 255 B V G > S+ 0 0 0 -233,-0.5 3,-1.6 -2,-0.3 4,-0.2 0.628 114.2 79.7 -67.3 -12.1 23.6 87.8 35.6 534 256 B A G 3 S+ 0 0 34 -144,-0.3 3,-0.4 1,-0.3 -1,-0.3 0.784 92.3 55.5 -61.6 -17.5 22.6 88.0 39.4 535 257 B D G X S+ 0 0 68 -3,-1.7 3,-0.5 1,-0.2 4,-0.5 0.254 74.7 105.8-101.0 14.0 19.2 89.1 37.9 536 258 B L T X> + 0 0 0 -3,-1.6 4,-1.8 1,-0.2 3,-0.9 0.759 55.9 80.7 -67.5 -28.1 18.5 86.1 35.6 537 259 B E H 3> S+ 0 0 103 -3,-0.4 4,-2.0 1,-0.3 -1,-0.2 0.863 92.2 47.8 -50.8 -47.7 15.8 84.3 37.6 538 260 B T H <> S+ 0 0 106 -3,-0.5 4,-2.1 1,-0.2 -1,-0.3 0.790 107.9 56.6 -70.3 -25.1 12.9 86.5 36.5 539 261 B V H <> S+ 0 0 4 -3,-0.9 4,-3.1 -4,-0.5 -1,-0.2 0.945 105.4 50.7 -68.2 -44.8 13.9 86.2 32.9 540 262 B I H X S+ 0 0 4 -4,-1.8 4,-3.3 1,-0.2 -250,-0.2 0.955 111.1 49.2 -55.3 -54.4 13.8 82.4 33.0 541 263 B T H X S+ 0 0 98 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.899 112.9 47.5 -49.0 -50.3 10.3 82.6 34.5 542 264 B D H X S+ 0 0 44 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.918 111.9 49.0 -60.2 -46.0 9.2 85.0 31.8 543 265 B V H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 5,-0.3 0.922 109.1 52.8 -64.9 -42.4 10.6 82.9 29.0 544 266 B N H X S+ 0 0 38 -4,-3.3 4,-2.4 -5,-0.2 -1,-0.2 0.943 109.6 50.3 -52.7 -46.1 8.9 79.8 30.4 545 267 B R H X S+ 0 0 130 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.894 111.8 47.2 -59.8 -43.9 5.6 81.8 30.4 546 268 B R H <>S+ 0 0 44 -4,-2.3 5,-3.0 2,-0.2 -1,-0.2 0.861 111.6 48.7 -69.6 -36.3 6.1 82.9 26.8 547 269 B L H ><5S+ 0 0 1 -4,-2.5 3,-2.1 3,-0.2 -2,-0.2 0.935 107.3 57.1 -70.0 -43.9 7.0 79.4 25.5 548 270 B A H 3<5S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 108.7 45.6 -53.6 -35.9 4.0 77.9 27.2 549 271 B R T 3<5S- 0 0 163 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.227 126.4-100.2 -95.3 13.8 1.6 80.2 25.4 550 272 B G T < 5 + 0 0 27 -3,-2.1 -3,-0.2 1,-0.2 2,-0.2 0.608 66.7 152.9 84.6 15.8 3.4 79.6 22.1 551 273 B E < - 0 0 46 -5,-3.0 -1,-0.2 -6,-0.1 -265,-0.1 -0.524 27.7-151.7 -79.3 146.4 5.6 82.7 21.6 552 274 B K 0 0 64 -2,-0.2 -69,-0.1 1,-0.1 -267,-0.0 -0.790 360.0 360.0-110.9 157.1 8.9 82.5 19.6 553 275 B P 0 0 32 0, 0.0 -69,-0.1 0, 0.0 -1,-0.1 -0.238 360.0 360.0 -51.7 360.0 12.1 84.5 19.8