==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE/DNA 14-AUG-09 2WQ6 . COMPND 2 MOLECULE: RE11660P; . SOURCE 2 ORGANISM_SCIENTIFIC: DROSOPHILA MELANOGASTER; . AUTHOR A.F.GLAS,E.KAYA,S.SCHNEIDER,M.J.MAUL,T.CARELL . 508 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 327 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 24 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 2 3 1 2 0 0 5 1 1 1 0 1 1 0 0 1 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 2 A D 0 0 118 0, 0.0 3,-0.5 0, 0.0 34,-0.0 0.000 360.0 360.0 360.0 16.2 -56.9 -48.5 17.7 2 3 A S + 0 0 104 1,-0.2 0, 0.0 185,-0.0 0, 0.0 0.390 360.0 57.8 -88.4 0.4 -58.8 -46.3 20.1 3 4 A Q S S+ 0 0 170 2,-0.1 -1,-0.2 34,-0.0 2,-0.1 0.282 77.7 123.0-111.9 5.1 -56.7 -47.9 22.8 4 5 A R - 0 0 15 -3,-0.5 2,-0.2 33,-0.1 33,-0.2 -0.358 50.9-139.6 -73.7 151.3 -53.2 -47.2 21.8 5 6 A S E -a 37 0A 31 31,-1.6 33,-2.1 -2,-0.1 2,-0.5 -0.637 22.6-120.1 -98.6 162.2 -50.6 -45.3 23.8 6 7 A T E -ab 38 101A 4 94,-2.4 96,-2.4 -2,-0.2 97,-1.0 -0.921 12.6-155.1-113.0 130.8 -48.3 -42.8 22.2 7 8 A L E -ab 39 103A 2 31,-3.0 33,-2.6 -2,-0.5 2,-0.4 -0.893 21.0-161.2 -97.1 127.9 -44.5 -42.9 22.1 8 9 A V E -ab 40 104A 0 95,-2.9 97,-2.5 -2,-0.5 2,-0.5 -0.933 16.6-169.4-118.5 132.8 -42.9 -39.5 21.7 9 10 A H E -ab 41 105A 3 31,-1.2 33,-2.6 -2,-0.4 2,-0.6 -0.971 16.8-149.5-113.9 130.8 -39.5 -38.3 20.6 10 11 A W E -ab 42 106A 6 95,-3.2 97,-0.6 -2,-0.5 2,-0.5 -0.895 5.3-156.8-109.8 112.9 -38.8 -34.7 21.2 11 12 A F E +a 43 0A 1 31,-2.7 33,-0.6 -2,-0.6 3,-0.2 -0.718 36.7 138.3 -83.0 124.5 -36.4 -33.0 18.7 12 13 A R S S- 0 0 31 1,-1.3 2,-0.2 -2,-0.5 -1,-0.2 0.493 85.5 -7.4-124.2 -58.5 -34.6 -29.9 20.0 13 14 A K S S+ 0 0 29 94,-0.2 -1,-1.3 1,-0.1 254,-0.2 -0.418 113.5 71.7-116.3-168.0 -31.1 -30.4 18.7 14 15 A G + 0 0 2 -2,-0.2 2,-2.3 1,-0.2 253,-0.3 0.910 59.2 177.3 59.1 44.0 -30.3 -33.7 17.0 15 16 A L + 0 0 2 251,-1.8 208,-0.4 -3,-0.1 2,-0.3 -0.430 45.9 88.6 -81.9 67.5 -32.4 -32.9 14.0 16 17 A R - 0 0 2 -2,-2.3 253,-0.1 -3,-0.2 252,-0.1 -0.965 68.2-141.1-154.2 159.8 -31.5 -36.0 12.2 17 18 A L S > S+ 0 0 4 -2,-0.3 3,-0.5 251,-0.2 7,-0.1 0.791 80.2 83.6 -91.4 -39.4 -32.5 -39.7 11.8 18 19 A H T 3 S+ 0 0 11 1,-0.2 157,-0.2 250,-0.2 158,-0.2 -0.332 101.6 4.3 -67.5 150.9 -29.0 -41.2 11.7 19 20 A D T 3 S+ 0 0 0 155,-1.1 -1,-0.2 156,-0.2 253,-0.1 0.904 88.4 138.0 40.1 59.8 -27.2 -42.0 15.0 20 21 A N <> + 0 0 2 155,-0.5 4,-3.2 -3,-0.5 3,-0.3 -0.743 26.6 176.5-136.3 85.2 -30.1 -41.0 17.2 21 22 A P H > S+ 0 0 11 0, 0.0 4,-3.0 0, 0.0 5,-0.3 0.904 82.3 55.5 -57.7 -47.7 -30.6 -43.5 20.0 22 23 A A H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 111,-0.1 0.901 116.2 39.5 -53.6 -40.9 -33.5 -41.5 21.6 23 24 A L H > S+ 0 0 0 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.913 113.7 52.1 -76.1 -45.2 -35.3 -41.8 18.3 24 25 A S H X S+ 0 0 13 -4,-3.2 4,-2.9 1,-0.2 5,-0.3 0.889 104.9 57.3 -60.2 -39.5 -34.3 -45.3 17.4 25 26 A H H X S+ 0 0 77 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.919 106.2 50.4 -58.4 -43.1 -35.5 -46.6 20.8 26 27 A I H X S+ 0 0 0 -4,-1.0 4,-1.9 -5,-0.3 -1,-0.2 0.932 112.9 44.1 -60.3 -47.2 -39.0 -45.1 20.0 27 28 A F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.880 114.2 49.7 -68.3 -38.7 -39.2 -46.8 16.6 28 29 A T H X S+ 0 0 69 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.912 109.3 52.7 -64.0 -42.6 -37.9 -50.1 17.8 29 30 A A H X S+ 0 0 28 -4,-2.5 4,-1.5 -5,-0.3 -2,-0.2 0.918 109.2 48.9 -59.5 -44.2 -40.3 -50.1 20.7 30 31 A A H < S+ 0 0 7 -4,-1.9 6,-0.3 1,-0.2 7,-0.3 0.923 112.8 46.6 -64.1 -45.7 -43.3 -49.5 18.3 31 32 A N H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 107.6 57.8 -67.8 -29.0 -42.3 -52.3 16.0 32 33 A A H < S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.880 114.9 37.4 -65.7 -37.4 -41.7 -54.7 18.9 33 34 A A S >X S- 0 0 18 -4,-1.5 3,-1.8 -3,-0.2 4,-0.6 -0.691 87.9-160.7-120.0 76.2 -45.3 -54.2 20.1 34 35 A P T 34 S+ 0 0 83 0, 0.0 -3,-0.1 0, 0.0 148,-0.1 -0.306 75.1 11.3 -64.8 133.4 -47.4 -54.0 16.9 35 36 A G T 34 S+ 0 0 36 146,-0.3 -4,-0.1 147,-0.3 147,-0.0 0.402 107.9 95.1 81.5 -10.0 -50.8 -52.4 17.1 36 37 A R T <4 S+ 0 0 144 -3,-1.8 -31,-1.6 -6,-0.3 2,-0.3 0.826 81.1 33.8 -74.6 -40.1 -49.9 -51.2 20.6 37 38 A Y E < -a 5 0A 17 -4,-0.6 2,-0.3 -7,-0.3 -2,-0.2 -0.793 51.8-145.5-129.4 163.6 -48.6 -47.7 19.9 38 39 A F E -a 6 0A 11 -33,-2.1 -31,-3.0 -2,-0.3 2,-0.5 -0.898 27.2-140.8-117.1 147.7 -48.8 -44.5 18.0 39 40 A V E -a 7 0A 2 -2,-0.3 -31,-0.2 -33,-0.2 -33,-0.1 -0.962 16.7-176.7-120.6 123.7 -45.5 -42.6 17.3 40 41 A R E -a 8 0A 3 -33,-2.6 -31,-1.2 -2,-0.5 2,-0.6 -0.847 4.6-170.5-121.6 97.5 -45.2 -38.8 17.5 41 42 A P E -a 9 0A 0 0, 0.0 41,-2.3 0, 0.0 2,-0.3 -0.746 27.9-173.7 -83.8 123.7 -41.9 -37.3 16.6 42 43 A I E -ac 10 82A 0 -33,-2.6 -31,-2.7 -2,-0.6 2,-0.4 -0.894 34.1-164.4-131.5 154.1 -42.2 -33.6 17.5 43 44 A F E -ac 11 83A 22 39,-2.3 41,-1.9 -2,-0.3 2,-0.6 -1.000 23.4-140.5-128.2 130.6 -40.6 -30.3 17.4 44 45 A I E - c 0 84A 21 -33,-0.6 2,-0.6 -2,-0.4 41,-0.2 -0.834 17.1-167.9 -99.3 119.4 -41.9 -27.5 19.7 45 46 A L E - c 0 85A 13 39,-2.5 41,-1.9 -2,-0.6 42,-0.0 -0.900 13.5-151.4-112.6 107.8 -42.0 -24.1 18.1 46 47 A D > - 0 0 43 -2,-0.6 3,-1.2 39,-0.2 4,-0.3 -0.661 8.8-160.5 -73.1 107.4 -42.6 -21.0 20.2 47 48 A P T 3 S+ 0 0 67 0, 0.0 3,-0.4 0, 0.0 -1,-0.2 0.595 84.1 65.7 -70.4 -9.8 -44.4 -18.7 17.7 48 49 A G T > S+ 0 0 54 1,-0.2 3,-0.9 2,-0.1 4,-0.2 0.771 89.0 64.9 -79.3 -27.5 -43.5 -15.6 19.9 49 50 A I G X S+ 0 0 68 -3,-1.2 3,-1.9 1,-0.2 -1,-0.2 0.598 72.8 93.9 -73.8 -11.3 -39.7 -16.0 19.4 50 51 A L G 3 S+ 0 0 13 -3,-0.4 159,-0.4 -4,-0.3 -1,-0.2 0.731 89.4 44.1 -59.3 -25.0 -39.9 -15.2 15.7 51 52 A D G < S+ 0 0 103 -3,-0.9 -1,-0.3 -4,-0.1 -2,-0.1 0.498 79.0 122.5 -95.8 -6.8 -39.2 -11.5 16.3 52 53 A W X - 0 0 130 -3,-1.9 3,-1.2 1,-0.2 -3,-0.0 -0.380 58.8-146.2 -54.5 126.0 -36.5 -12.0 18.9 53 54 A M T 3 S+ 0 0 121 1,-0.3 -1,-0.2 -2,-0.1 -3,-0.0 0.553 87.3 79.9 -82.7 -3.2 -33.6 -10.1 17.2 54 55 A Q T 3 S+ 0 0 32 1,-0.1 2,-0.5 2,-0.1 -1,-0.3 0.410 86.7 67.3 -79.4 1.8 -31.0 -12.5 18.6 55 56 A V S < S- 0 0 15 -3,-1.2 337,-0.2 -6,-0.1 338,-0.1 -0.968 80.9-146.7-123.3 115.0 -31.9 -14.8 15.7 56 57 A G > - 0 0 6 336,-1.6 4,-1.8 -2,-0.5 3,-0.3 -0.342 24.8-109.9 -77.1 160.4 -31.1 -13.6 12.3 57 58 A A H > S+ 0 0 5 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.853 115.6 58.0 -58.2 -41.5 -33.1 -14.3 9.2 58 59 A N H > S+ 0 0 10 155,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.900 105.9 48.0 -60.5 -42.9 -30.5 -16.6 7.7 59 60 A R H > S+ 0 0 14 333,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.886 109.2 54.1 -65.5 -37.0 -30.6 -18.9 10.8 60 61 A W H X S+ 0 0 18 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.902 108.9 49.5 -59.3 -43.3 -34.4 -19.0 10.6 61 62 A R H X S+ 0 0 25 -4,-2.3 4,-2.5 2,-0.2 160,-0.2 0.902 108.3 53.2 -61.6 -42.6 -34.2 -20.1 7.0 62 63 A F H X S+ 0 0 4 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.912 111.6 45.5 -60.6 -43.7 -31.7 -22.8 8.0 63 64 A L H X S+ 0 0 16 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.903 110.0 54.7 -65.0 -41.3 -34.1 -24.1 10.6 64 65 A Q H X S+ 0 0 9 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 111.8 44.1 -56.9 -46.9 -37.0 -24.0 8.2 65 66 A Q H X S+ 0 0 40 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.885 111.8 53.4 -67.8 -37.1 -35.1 -26.1 5.7 66 67 A T H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 157,-0.3 0.916 107.7 50.0 -62.6 -47.6 -33.9 -28.5 8.4 67 68 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.923 110.9 49.9 -61.2 -41.1 -37.5 -29.1 9.6 68 69 A E H X S+ 0 0 92 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.906 112.1 47.4 -63.4 -42.7 -38.7 -29.8 6.1 69 70 A D H X S+ 0 0 21 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.930 111.0 51.6 -65.6 -42.4 -35.8 -32.3 5.5 70 71 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.887 109.8 49.3 -60.8 -41.7 -36.5 -34.0 8.8 71 72 A D H X S+ 0 0 23 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.897 110.4 51.7 -62.7 -41.6 -40.2 -34.4 7.9 72 73 A N H X S+ 0 0 61 -4,-2.1 4,-1.1 2,-0.2 -2,-0.2 0.904 111.4 46.2 -62.1 -42.7 -39.2 -35.8 4.5 73 74 A Q H X S+ 0 0 33 -4,-2.4 4,-0.5 1,-0.2 3,-0.5 0.909 111.6 50.8 -67.1 -41.7 -36.9 -38.4 6.1 74 75 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.2 1,-0.2 3,-1.2 0.852 102.5 63.0 -63.4 -33.6 -39.5 -39.3 8.7 75 76 A R H ><5S+ 0 0 135 -4,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.865 96.3 57.9 -57.8 -37.6 -42.0 -39.8 5.8 76 77 A K H 3<5S+ 0 0 132 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.674 101.5 55.4 -69.0 -18.8 -39.9 -42.6 4.4 77 78 A L T <<5S- 0 0 17 -3,-1.2 103,-2.2 -4,-0.5 -1,-0.3 0.150 126.4-101.1 -95.0 18.6 -40.2 -44.4 7.8 78 79 A N T < 5S+ 0 0 85 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.2 0.702 97.8 89.0 65.7 22.9 -44.0 -44.3 7.4 79 80 A S < - 0 0 16 -5,-2.2 2,-0.3 -6,-0.1 -1,-0.2 -0.281 58.6-153.5-122.2-151.1 -44.0 -41.4 9.9 80 81 A R - 0 0 68 -2,-0.1 2,-0.4 -3,-0.1 -9,-0.1 -0.946 26.9 -89.2-177.5 167.6 -43.7 -37.6 9.9 81 82 A L - 0 0 0 -2,-0.3 2,-0.6 -14,-0.1 -39,-0.2 -0.740 27.5-154.4 -91.8 139.8 -42.7 -34.6 11.9 82 83 A F E -c 42 0A 6 -41,-2.3 -39,-2.3 -2,-0.4 2,-1.0 -0.957 5.0-162.9-113.4 109.6 -45.2 -32.9 14.1 83 84 A V E -c 43 0A 0 116,-2.7 2,-0.6 -2,-0.6 -39,-0.2 -0.815 12.1-163.8 -92.2 99.5 -44.3 -29.2 14.6 84 85 A V E -c 44 0A 0 -41,-1.9 -39,-2.5 -2,-1.0 2,-0.4 -0.762 10.6-139.1 -91.0 119.3 -46.3 -28.3 17.7 85 86 A R E +c 45 0A 64 -2,-0.6 2,-0.3 113,-0.3 -39,-0.2 -0.636 60.3 52.5 -78.7 132.0 -46.7 -24.6 18.3 86 87 A G S S- 0 0 7 -41,-1.9 -38,-0.0 -2,-0.4 -2,-0.0 -0.924 86.5 -57.8 145.6-165.1 -46.4 -23.4 21.9 87 88 A K >> - 0 0 97 -2,-0.3 4,-2.6 -41,-0.1 3,-1.7 -0.924 42.2-119.3-115.1 141.8 -44.2 -23.6 24.9 88 89 A P H 3> S+ 0 0 24 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.796 109.9 65.7 -46.9 -34.8 -43.2 -26.9 26.6 89 90 A A H 34 S+ 0 0 81 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.834 116.9 23.9 -60.5 -37.5 -44.9 -25.8 29.8 90 91 A E H <> S+ 0 0 117 -3,-1.7 4,-1.2 2,-0.1 -1,-0.2 0.727 119.4 59.1 -97.6 -30.7 -48.4 -25.8 28.2 91 92 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.960 103.6 48.4 -66.4 -51.9 -47.8 -28.2 25.4 92 93 A F H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.3 0.906 108.1 50.9 -63.5 -46.2 -46.7 -31.3 27.4 93 94 A P H > S+ 0 0 45 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.927 116.1 45.8 -56.1 -39.0 -49.5 -31.3 30.0 94 95 A R H X S+ 0 0 73 -4,-1.2 4,-2.8 1,-0.2 -2,-0.2 0.952 118.9 37.7 -67.2 -51.0 -52.0 -31.1 27.1 95 96 A I H X S+ 0 0 1 -4,-2.9 4,-2.5 2,-0.2 6,-0.3 0.777 107.2 63.8 -80.3 -25.7 -50.4 -33.7 24.8 96 97 A F H <>S+ 0 0 6 -4,-2.9 5,-1.7 -5,-0.3 4,-0.4 0.940 116.8 31.8 -56.1 -45.6 -49.5 -36.1 27.6 97 98 A K H <5S+ 0 0 150 -4,-1.1 -2,-0.2 -5,-0.3 3,-0.2 0.905 121.5 49.5 -74.8 -48.1 -53.2 -36.4 28.3 98 99 A S H <5S+ 0 0 47 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.2 0.889 121.8 31.8 -61.1 -46.6 -54.4 -35.9 24.7 99 100 A W T <5S- 0 0 12 -4,-2.5 -1,-0.2 -5,-0.1 -93,-0.2 0.505 102.5-126.7 -91.6 -6.3 -52.1 -38.5 23.1 100 101 A R T 5 - 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0 0 10 -2,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.270 38.8 -87.1 -85.8 177.6 -56.3 -34.4 18.7 190 191 A E H > S+ 0 0 72 1,-0.2 4,-1.1 2,-0.2 5,-0.1 0.866 129.7 51.0 -60.0 -35.2 -58.5 -31.4 19.5 191 192 A V H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 111.6 46.2 -68.4 -41.1 -56.0 -29.0 17.8 192 193 A E H 4 S+ 0 0 16 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.847 104.5 61.9 -69.7 -34.7 -55.8 -31.0 14.6 193 194 A Q H < S+ 0 0 138 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.840 110.4 41.2 -60.9 -35.0 -59.6 -31.4 14.4 194 195 A K H < S+ 0 0 185 -4,-1.1 2,-0.4 1,-0.3 -2,-0.2 0.909 134.6 16.3 -74.8 -47.8 -59.9 -27.6 14.2 195 196 A D >< - 0 0 88 -4,-2.0 3,-2.3 -5,-0.1 -1,-0.3 -0.906 63.8-163.4-132.4 103.5 -56.9 -27.2 11.8 196 197 A S T 3 S+ 0 0 82 -2,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.791 95.0 50.8 -57.3 -27.0 -55.6 -30.3 10.0 197 198 A A T > S+ 0 0 44 1,-0.2 3,-1.3 2,-0.1 -1,-0.3 0.090 74.7 116.0 -98.2 22.2 -52.4 -28.6 9.1 198 199 A A T < S+ 0 0 17 -3,-2.3 -113,-0.3 1,-0.3 -1,-0.2 0.789 82.3 37.5 -63.3 -31.0 -51.8 -27.4 12.7 199 200 A Y T 3 S+ 0 0 5 -3,-0.4 -116,-2.7 -4,-0.2 -1,-0.3 0.176 89.4 125.4-108.7 18.4 -48.6 -29.5 13.1 200 201 A D S < S- 0 0 69 -3,-1.3 3,-0.1 -118,-0.2 -118,-0.1 -0.340 73.2 -82.8 -74.4 156.6 -47.2 -29.0 9.6 201 202 A C - 0 0 24 -120,-0.1 -1,-0.1 1,-0.1 -137,-0.1 -0.313 54.5-102.8 -55.9 136.3 -43.7 -27.7 8.9 202 203 A P - 0 0 1 0, 0.0 -134,-0.1 0, 0.0 -1,-0.1 -0.347 32.6-126.1 -65.9 144.0 -43.5 -24.0 9.0 203 204 A T > - 0 0 65 1,-0.1 4,-2.0 -3,-0.1 5,-0.2 -0.373 23.4-110.2 -77.3 162.8 -43.3 -22.1 5.8 204 205 A M H > S+ 0 0 61 1,-0.2 4,-3.1 2,-0.2 -1,-0.1 0.927 123.0 54.6 -58.2 -45.2 -40.6 -19.6 5.0 205 206 A K H 4 S+ 0 0 177 1,-0.2 -1,-0.2 2,-0.2 0, 0.0 0.815 110.6 47.7 -58.5 -35.1 -43.2 -16.8 5.3 206 207 A Q H 4 S+ 0 0 89 1,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.842 120.4 32.4 -71.4 -40.1 -44.0 -18.2 8.7 207 208 A L H < S+ 0 0 1 -4,-2.0 2,-0.7 1,-0.2 -2,-0.2 0.769 112.1 63.9 -91.1 -29.3 -40.5 -18.5 10.2 208 209 A V < + 0 0 7 -4,-3.1 -1,-0.2 -5,-0.2 -157,-0.1 -0.840 49.3 168.4-107.0 102.7 -38.8 -15.6 8.4 209 210 A K S S+ 0 0 97 -2,-0.7 -1,-0.2 -159,-0.4 3,-0.1 0.812 78.7 41.8 -79.7 -31.7 -40.2 -12.1 9.3 210 211 A R > + 0 0 53 1,-0.1 3,-2.1 2,-0.0 -1,-0.2 -0.668 61.9 168.3-121.5 77.8 -37.5 -10.1 7.7 211 212 A P G > S+ 0 0 73 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.628 71.4 73.5 -64.9 -16.3 -36.7 -11.8 4.3 212 213 A E G 3 S+ 0 0 144 1,-0.2 -2,-0.0 -3,-0.1 -3,-0.0 0.666 89.7 59.2 -72.8 -17.3 -34.7 -8.7 3.3 213 214 A E G < S+ 0 0 71 -3,-2.1 -155,-0.3 2,-0.0 -1,-0.2 0.542 83.5 109.3 -82.9 -10.2 -32.0 -9.9 5.8 214 215 A L < - 0 0 42 -3,-1.0 3,-0.1 -4,-0.2 145,-0.1 -0.470 49.5-174.3 -68.5 132.4 -31.7 -13.1 3.8 215 216 A G - 0 0 20 1,-0.2 144,-0.1 -2,-0.2 -1,-0.1 -0.356 45.5 -36.5-107.8-163.7 -28.5 -13.5 1.8 216 217 A P - 0 0 70 0, 0.0 2,-2.2 0, 0.0 3,-0.3 -0.338 57.7-123.3 -57.2 135.0 -27.4 -16.2 -0.7 217 218 A N + 0 0 72 1,-0.2 142,-0.1 -3,-0.1 -3,-0.0 -0.416 56.2 148.2 -80.1 65.1 -28.5 -19.7 0.3 218 219 A K + 0 0 61 -2,-2.2 -1,-0.2 1,-0.2 142,-0.1 0.803 66.9 37.5 -72.7 -31.2 -25.0 -21.0 0.4 219 220 A F S S- 0 0 11 -3,-0.3 -1,-0.2 140,-0.2 6,-0.0 -0.740 78.9-157.9-127.6 83.3 -25.6 -23.6 3.2 220 221 A P - 0 0 43 0, 0.0 -158,-0.1 0, 0.0 2,-0.1 -0.245 23.0-114.3 -60.3 145.6 -29.0 -25.3 3.0 221 222 A G + 0 0 8 -160,-0.2 4,-0.3 4,-0.1 3,-0.1 -0.281 60.9 67.0 -79.4 163.1 -30.3 -26.8 6.2 222 223 A G S > S- 0 0 0 2,-0.1 4,-1.9 1,-0.1 -156,-0.1 0.003 80.4 -85.9 109.8 153.8 -31.0 -30.4 7.0 223 224 A E H > S+ 0 0 9 -208,-0.4 4,-2.7 -157,-0.3 5,-0.3 0.838 118.7 60.3 -59.5 -38.0 -29.4 -33.8 7.6 224 225 A T H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.953 110.2 39.8 -58.1 -52.8 -29.5 -34.7 3.9 225 226 A E H > S+ 0 0 37 -4,-0.3 4,-2.8 2,-0.2 5,-0.2 0.847 112.3 60.2 -63.3 -34.1 -27.2 -31.8 3.0 226 227 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.949 109.7 40.0 -57.2 -52.3 -25.2 -32.5 6.2 227 228 A L H X S+ 0 0 49 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.896 115.5 51.2 -67.6 -41.2 -24.3 -36.0 5.0 228 229 A R H X S+ 0 0 104 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.919 112.6 47.1 -61.5 -43.0 -23.8 -34.9 1.4 229 230 A R H X S+ 0 0 38 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.897 112.1 49.3 -68.2 -41.8 -21.5 -32.1 2.6 230 231 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 3,-0.2 0.961 109.9 51.5 -57.8 -51.6 -19.6 -34.4 4.9 231 232 A E H < S+ 0 0 90 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.881 109.7 50.0 -55.7 -41.1 -19.1 -37.0 2.2 232 233 A E H >< S+ 0 0 117 -4,-2.0 3,-0.6 1,-0.2 4,-0.5 0.863 110.3 50.4 -65.9 -37.3 -17.7 -34.4 -0.2 233 234 A S H 3< S+ 0 0 24 -4,-1.9 3,-0.4 1,-0.2 -2,-0.2 0.853 111.6 47.2 -67.5 -35.6 -15.3 -33.1 2.5 234 235 A L T 3< S+ 0 0 11 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.437 87.8 91.1 -88.3 0.3 -14.0 -36.7 3.2 235 236 A K S < S+ 0 0 176 -3,-0.6 2,-1.3 -4,-0.4 -1,-0.2 0.939 81.3 56.1 -60.2 -49.6 -13.6 -37.4 -0.5 236 237 A D > - 0 0 91 -4,-0.5 4,-2.2 -3,-0.4 -1,-0.2 -0.676 69.1-178.1 -87.1 90.2 -10.0 -36.2 -0.5 237 238 A E H > S+ 0 0 51 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.765 78.2 57.7 -66.4 -24.0 -8.4 -38.3 2.2 238 239 A I H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.960 107.6 45.9 -67.2 -52.4 -5.0 -36.7 1.8 239 240 A W H 4 S+ 0 0 88 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.911 115.4 49.1 -55.3 -42.4 -6.4 -33.2 2.5 240 241 A V H >< S+ 0 0 4 -4,-2.2 3,-0.8 1,-0.2 55,-0.5 0.926 111.8 46.7 -64.3 -46.3 -8.3 -34.7 5.5 241 242 A A H 3< S+ 0 0 1 -4,-2.4 48,-2.5 1,-0.2 -2,-0.2 0.870 117.3 41.9 -68.1 -37.3 -5.4 -36.5 7.0 242 243 A R T 3< S+ 0 0 110 -4,-2.4 -1,-0.2 46,-0.3 -2,-0.2 0.336 82.0 142.0 -95.1 11.2 -2.9 -33.5 6.7 243 244 A F < + 0 0 7 -3,-0.8 2,-0.4 -4,-0.4 52,-0.2 -0.209 23.5 177.9 -57.4 128.3 -5.4 -30.9 7.8 244 245 A E > - 0 0 85 50,-0.1 3,-1.1 1,-0.1 4,-0.4 -0.963 21.2-150.1-132.8 119.1 -3.9 -28.3 10.0 245 246 A K G > S+ 0 0 35 48,-1.9 3,-1.6 -2,-0.4 120,-0.1 0.852 92.4 58.1 -59.8 -40.9 -6.2 -25.6 11.1 246 247 A P G 3 S+ 0 0 74 0, 0.0 -1,-0.3 0, 0.0 47,-0.0 0.734 103.0 55.8 -63.3 -26.2 -3.7 -22.7 11.4 247 248 A N G < S+ 0 0 123 -3,-1.1 2,-0.3 2,-0.1 -2,-0.2 0.487 85.8 100.0 -84.8 -6.4 -2.7 -23.2 7.7 248 249 A T S < S- 0 0 17 -3,-1.6 117,-0.1 -4,-0.4 9,-0.1 -0.629 78.5-109.2 -82.6 138.5 -6.3 -22.7 6.4 249 250 A A - 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0 0 0 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 -0.670 8.0-154.2 -77.8 124.6 -23.8 -36.6 14.2 271 272 A A H > S+ 0 0 2 -2,-0.5 4,-2.4 -134,-0.3 -1,-0.2 0.801 98.9 54.6 -64.7 -28.2 -20.5 -35.6 15.7 272 273 A R H > S+ 0 0 16 -135,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.881 108.3 47.0 -76.0 -38.4 -20.0 -39.2 16.6 273 274 A L H > S+ 0 0 25 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.928 113.5 48.6 -62.8 -45.1 -20.6 -40.3 13.0 274 275 A F H X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.931 109.5 52.6 -64.9 -42.6 -18.2 -37.7 11.8 275 276 A N H X S+ 0 0 11 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.909 109.5 50.1 -57.1 -41.6 -15.6 -38.7 14.4 276 277 A Q H X S+ 0 0 77 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.925 109.1 50.1 -67.0 -46.6 -15.8 -42.3 13.2 277 278 A K H X S+ 0 0 59 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.899 111.5 49.7 -55.8 -44.4 -15.4 -41.4 9.5 278 279 A L H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 3,-0.3 0.944 108.5 51.4 -61.1 -51.8 -12.3 -39.4 10.4 279 280 A K H X S+ 0 0 97 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.886 107.9 52.5 -54.9 -42.5 -10.7 -42.2 12.4 280 281 A E H X S+ 0 0 80 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.856 110.7 48.9 -62.6 -35.5 -11.2 -44.7 9.6 281 282 A I H >X S+ 0 0 4 -4,-1.5 4,-0.8 -3,-0.3 3,-0.6 0.897 107.6 52.9 -70.4 -41.1 -9.4 -42.2 7.2 282 283 A I H >< S+ 0 0 35 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.867 104.2 57.2 -64.9 -35.4 -6.5 -41.6 9.6 283 284 A K H 3< S+ 0 0 190 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.764 109.2 46.5 -63.2 -28.0 -5.9 -45.4 9.8 284 285 A R H << S+ 0 0 133 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.573 105.4 67.2 -87.6 -13.6 -5.5 -45.5 6.0 285 286 A Q << - 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