==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-JUL-01 1JMK . COMPND 2 MOLECULE: SURFACTIN SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR S.D.BRUNER,T.WEBER,R.M.KOHLI,D.SCHWARZER,M.A.MARAHIEL, . 452 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20925.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 324 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 4.9 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 32 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 127 28.1 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+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 2 1 1 0 0 0 2 0 1 3 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 0 6 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 PARALLEL BRIDGES PER LADDER . 1 2 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 0 0 0 0 0 0 0 1 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 C G > 0 0 91 0, 0.0 2,-1.3 0, 0.0 3,-0.7 0.000 360.0 360.0 360.0-132.6 39.0 27.9 -49.5 2 3 C G T 3 + 0 0 93 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.648 360.0 17.1 84.0 -92.6 39.0 28.7 -53.2 3 4 C S T 3 S- 0 0 117 -2,-1.3 2,-0.3 1,-0.3 -1,-0.3 0.905 136.1 -29.5 -80.3 -45.4 40.2 32.3 -53.4 4 5 C D < - 0 0 83 -3,-0.7 3,-0.4 1,-0.1 -1,-0.3 -0.972 37.9-134.8-169.4 156.9 41.7 32.4 -49.9 5 6 C G S S+ 0 0 34 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.701 98.5 71.1 -90.1 -22.3 41.5 31.1 -46.3 6 7 C L S > S+ 0 0 87 2,-0.0 3,-1.1 3,-0.0 2,-0.3 -0.057 70.2 145.3 -84.7 34.4 41.9 34.4 -44.6 7 8 C Q T 3 + 0 0 105 -3,-0.4 3,-0.1 1,-0.2 42,-0.1 -0.576 65.8 13.3 -76.6 133.5 38.4 35.4 -45.8 8 9 C D T 3 S+ 0 0 41 -2,-0.3 41,-2.3 1,-0.2 2,-0.3 0.663 109.6 94.9 77.0 19.6 36.5 37.6 -43.4 9 10 C V E < -A 48 0A 15 -3,-1.1 2,-0.4 39,-0.2 39,-0.2 -0.999 51.6-162.6-143.8 144.5 39.4 38.4 -41.2 10 11 C T E -A 47 0A 40 37,-2.2 37,-3.0 -2,-0.3 2,-0.5 -0.995 16.9-145.0-125.5 123.8 42.0 41.3 -41.0 11 12 C I E -A 46 0A 33 -2,-0.4 2,-0.3 35,-0.2 3,-0.2 -0.776 17.4-173.4 -94.3 130.1 45.2 40.8 -39.1 12 13 C M E +A 45 0A 4 33,-3.0 33,-1.9 -2,-0.5 22,-0.0 -0.907 65.7 16.6-121.3 149.9 46.7 43.7 -37.1 13 14 C N S > S- 0 0 43 -2,-0.3 3,-1.8 31,-0.2 -1,-0.2 0.956 74.8-177.7 54.2 53.6 50.1 44.1 -35.3 14 15 C Q T 3 + 0 0 131 1,-0.3 -1,-0.1 -3,-0.2 30,-0.1 0.600 68.3 61.8 -61.8 -15.8 51.2 41.0 -37.2 15 16 C D T 3 S+ 0 0 135 28,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.376 85.5 97.0 -93.6 6.1 54.7 40.7 -35.6 16 17 C Q < - 0 0 60 -3,-1.8 27,-0.1 1,-0.1 26,-0.1 -0.561 62.5-148.8 -92.6 159.2 53.3 40.2 -32.1 17 18 C E S S+ 0 0 184 25,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.841 72.8 78.3 -96.0 -40.3 52.8 36.8 -30.4 18 19 C Q E S-b 43 0A 105 24,-0.5 26,-3.7 1,-0.0 2,-0.4 -0.630 71.3-151.5 -76.2 123.4 49.8 37.1 -28.1 19 20 C I E -b 44 0A 28 -2,-0.5 2,-0.4 24,-0.2 55,-0.4 -0.780 16.1-169.4-104.9 140.2 46.6 36.9 -30.2 20 21 C I E -b 45 0A 4 24,-2.6 26,-2.6 -2,-0.4 2,-0.8 -0.993 15.6-147.2-121.2 126.9 43.2 38.4 -29.5 21 22 C F E -bc 46 75A 0 53,-2.7 55,-2.3 -2,-0.4 2,-0.5 -0.878 22.7-163.1 -98.0 113.2 40.3 37.3 -31.7 22 23 C A E -bc 47 76A 0 24,-2.1 26,-2.7 -2,-0.8 55,-0.2 -0.850 12.7-153.8-107.7 131.0 37.9 40.2 -32.1 23 24 C F E - c 0 77A 0 53,-2.9 55,-0.7 -2,-0.5 58,-0.1 -0.822 29.9-113.0 -99.3 135.7 34.3 40.2 -33.3 24 25 C P - 0 0 0 0, 0.0 54,-0.2 0, 0.0 60,-0.2 -0.040 22.6-104.6 -66.4 161.6 33.0 43.5 -34.9 25 26 C P > - 0 0 1 0, 0.0 3,-2.3 0, 0.0 54,-0.2 -0.216 59.7 -75.4 -74.6 179.7 30.4 46.0 -33.8 26 27 C V T 3 S+ 0 0 5 1,-0.3 122,-0.3 2,-0.1 121,-0.2 0.688 126.2 71.3 -53.9 -24.1 27.0 45.9 -35.5 27 28 C L T 3 S- 0 0 3 2,-0.1 -1,-0.3 120,-0.1 120,-0.1 0.821 103.4-130.9 -62.9 -28.2 28.3 47.5 -38.8 28 29 C G < + 0 0 0 -3,-2.3 22,-2.7 1,-0.2 2,-0.5 0.434 62.4 116.0 97.5 2.1 30.0 44.2 -39.4 29 30 C Y > - 0 0 13 20,-0.2 3,-1.7 1,-0.1 20,-0.2 -0.907 49.8-155.7-116.4 125.9 33.6 45.1 -40.3 30 31 C G G > S+ 0 0 0 -2,-0.5 3,-2.4 1,-0.3 18,-0.1 0.727 87.1 79.8 -62.8 -22.9 36.8 44.2 -38.3 31 32 C L G > S+ 0 0 59 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.709 74.0 78.7 -59.2 -18.1 38.7 47.2 -39.9 32 33 C M G < S+ 0 0 27 -3,-1.7 4,-0.3 1,-0.3 3,-0.3 0.645 86.3 61.2 -65.2 -11.8 36.8 49.4 -37.3 33 34 C Y G <> S+ 0 0 2 -3,-2.4 4,-2.5 1,-0.2 -1,-0.3 0.312 70.9 102.6 -96.9 8.1 39.4 48.1 -34.8 34 35 C Q H <> S+ 0 0 88 -3,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.925 84.9 44.2 -58.3 -44.0 42.4 49.5 -36.6 35 36 C N H >> S+ 0 0 77 -3,-0.3 3,-0.7 -4,-0.3 4,-0.6 0.919 111.1 53.6 -68.8 -39.9 42.7 52.4 -34.2 36 37 C L H >> S+ 0 0 1 -4,-0.3 3,-1.8 1,-0.2 4,-0.5 0.918 102.2 60.9 -57.7 -41.7 42.2 50.2 -31.2 37 38 C S H >< S+ 0 0 2 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.834 96.2 58.6 -57.2 -33.5 45.0 48.0 -32.4 38 39 C S H << S+ 0 0 66 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.709 105.3 51.5 -69.9 -17.5 47.5 50.9 -32.2 39 40 C R H << S+ 0 0 67 -3,-1.8 -1,-0.3 -4,-0.6 -2,-0.2 0.461 108.0 51.8 -94.9 -5.4 46.7 51.2 -28.5 40 41 C L X< + 0 0 2 -3,-1.1 3,-2.0 -4,-0.5 -1,-0.2 -0.463 68.1 159.4-125.7 57.2 47.3 47.5 -27.9 41 42 C P T 3 + 0 0 79 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.704 68.6 56.4 -54.5 -26.9 50.8 47.3 -29.5 42 43 C S T 3 S+ 0 0 48 -3,-0.1 -24,-0.5 -26,-0.1 2,-0.4 0.352 98.6 76.5 -90.9 8.0 51.9 44.1 -27.7 43 44 C Y E < S- b 0 18A 10 -3,-2.0 2,-0.6 -6,-0.2 -24,-0.2 -0.951 71.9-137.6-123.0 139.6 48.9 42.1 -29.1 44 45 C K E - b 0 19A 51 -26,-3.7 -24,-2.6 -2,-0.4 2,-0.5 -0.818 25.4-152.3 -91.0 124.7 48.2 40.6 -32.5 45 46 C L E -Ab 12 20A 1 -33,-1.9 -33,-3.0 -2,-0.6 2,-0.8 -0.883 15.2-167.1-105.2 125.1 44.6 41.3 -33.4 46 47 C C E -Ab 11 21A 2 -26,-2.6 -24,-2.1 -2,-0.5 2,-0.7 -0.904 20.0-164.7-106.6 98.0 42.6 39.0 -35.7 47 48 C A E -Ab 10 22A 0 -37,-3.0 -37,-2.2 -2,-0.8 -17,-0.2 -0.796 4.1-152.4 -93.2 112.5 39.6 41.2 -36.5 48 49 C F E -A 9 0A 0 -26,-2.7 2,-0.3 -2,-0.7 -39,-0.2 -0.401 6.3-139.7 -81.4 155.3 36.7 39.3 -38.0 49 50 C D - 0 0 27 -41,-2.3 2,-0.4 -20,-0.2 -20,-0.2 -0.664 44.9 -86.1-100.2 164.7 34.0 40.7 -40.3 50 51 C F - 0 0 0 -22,-2.7 2,-0.7 -2,-0.3 97,-0.1 -0.631 38.7-144.2 -75.6 128.2 30.5 39.4 -39.7 51 52 C I - 0 0 1 -2,-0.4 5,-0.2 1,-0.1 9,-0.1 -0.849 9.4-162.1 -93.8 117.5 29.9 36.2 -41.6 52 53 C E + 0 0 60 -2,-0.7 -1,-0.1 3,-0.1 4,-0.1 0.773 54.2 102.6 -74.6 -28.2 26.3 36.2 -42.8 53 54 C E S > S- 0 0 104 1,-0.1 3,-1.4 2,-0.1 -2,-0.1 -0.135 81.4-116.3 -57.3 151.6 25.8 32.5 -43.5 54 55 C E T 3 S+ 0 0 188 1,-0.3 3,-0.4 2,-0.1 -1,-0.1 0.754 114.1 55.4 -61.6 -26.5 23.9 30.3 -41.0 55 56 C D T >> + 0 0 70 1,-0.2 4,-1.7 2,-0.1 3,-0.7 -0.015 68.1 129.2 -97.8 32.1 26.9 28.2 -40.2 56 57 C R H <> + 0 0 38 -3,-1.4 4,-2.7 1,-0.2 -1,-0.2 0.836 67.2 58.0 -54.3 -36.1 29.0 31.3 -39.3 57 58 C L H 3> S+ 0 0 39 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.890 105.1 49.3 -65.9 -36.9 30.1 29.7 -36.0 58 59 C D H <> S+ 0 0 81 -3,-0.7 4,-1.8 1,-0.2 -1,-0.2 0.891 112.6 49.5 -67.4 -35.9 31.6 26.7 -37.7 59 60 C R H X S+ 0 0 112 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.894 111.3 47.6 -69.2 -41.8 33.4 29.1 -40.0 60 61 C Y H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.939 111.2 51.0 -65.7 -43.9 34.7 31.2 -37.2 61 62 C A H X S+ 0 0 4 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.885 110.1 50.8 -60.5 -37.5 35.9 28.2 -35.2 62 63 C D H X S+ 0 0 76 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.904 110.6 48.2 -66.6 -41.8 37.7 26.9 -38.4 63 64 C L H X S+ 0 0 11 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.913 113.1 48.0 -65.0 -41.9 39.5 30.3 -38.8 64 65 C I H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.910 108.0 54.6 -66.0 -40.5 40.5 30.4 -35.2 65 66 C Q H < S+ 0 0 74 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.859 113.1 43.9 -61.6 -33.5 41.8 26.8 -35.3 66 67 C K H < S+ 0 0 122 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.868 116.6 44.9 -78.0 -38.4 44.0 27.8 -38.3 67 68 C L H < S+ 0 0 45 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.794 136.2 9.5 -77.0 -31.8 45.2 31.1 -36.7 68 69 C Q < + 0 0 32 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 -0.573 68.1 175.2-149.0 79.7 45.9 29.6 -33.3 69 70 C P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 0.740 67.3 31.1 -59.3 -27.1 45.7 25.8 -33.3 70 71 C E S S+ 0 0 162 2,-0.1 27,-0.0 27,-0.0 0, 0.0 -0.860 89.9 37.3-132.5 166.5 46.8 25.4 -29.7 71 72 C G S S- 0 0 39 -2,-0.3 27,-0.3 2,-0.1 2,-0.1 -0.016 90.4 -39.1 85.8 168.6 46.7 27.1 -26.3 72 73 C P - 0 0 65 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.401 60.8-134.5 -67.9 143.4 44.1 29.2 -24.4 73 74 C L E - d 0 99A 0 25,-2.4 27,-1.8 -2,-0.1 28,-1.2 -0.766 10.5-156.3-105.6 146.0 42.1 31.6 -26.5 74 75 C T E - d 0 101A 14 -55,-0.4 -53,-2.7 -2,-0.3 2,-0.3 -0.987 15.5-170.3-121.0 120.5 41.3 35.3 -25.8 75 76 C L E -cd 21 102A 0 26,-2.3 28,-2.6 -2,-0.5 2,-0.3 -0.770 1.8-165.6-109.6 159.2 38.2 36.7 -27.5 76 77 C F E +cd 22 103A 6 -55,-2.3 -53,-2.9 -2,-0.3 2,-0.3 -0.993 7.5 175.9-144.7 145.6 37.0 40.3 -27.7 77 78 C G E -cd 23 104A 0 26,-2.4 28,-1.8 -2,-0.3 2,-0.3 -0.994 12.0-170.8-151.7 155.6 33.7 42.0 -28.7 78 79 C Y E > - d 0 105A 11 -55,-0.7 3,-2.0 -2,-0.3 28,-0.1 -0.986 67.3 -19.5-143.4 138.9 32.1 45.4 -28.9 79 80 C S T >> S- 0 0 7 26,-1.3 3,-2.3 -2,-0.3 4,-0.5 -0.340 138.9 -5.7 61.9-139.1 28.4 46.2 -29.6 80 81 C A H 3> S+ 0 0 3 1,-0.3 4,-1.8 2,-0.2 3,-0.4 0.736 127.7 75.6 -59.5 -21.1 26.7 43.2 -31.3 81 82 C G H <> S+ 0 0 0 -3,-2.0 4,-2.5 1,-0.2 -1,-0.3 0.747 84.1 64.5 -63.2 -22.4 30.2 41.7 -31.4 82 83 C C H <> S+ 0 0 0 -3,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.928 104.6 43.8 -66.3 -43.9 29.9 40.9 -27.7 83 84 C S H X S+ 0 0 0 -4,-0.5 4,-2.3 -3,-0.4 -2,-0.2 0.905 114.5 50.1 -67.3 -40.1 27.0 38.5 -28.3 84 85 C L H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.895 109.2 51.7 -65.3 -38.5 28.8 37.0 -31.2 85 86 C A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.876 109.3 50.4 -65.1 -38.0 31.9 36.5 -29.1 86 87 C F H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.933 112.2 46.5 -64.8 -45.0 29.9 34.8 -26.4 87 88 C E H X S+ 0 0 34 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.880 112.4 50.6 -65.3 -37.3 28.3 32.4 -29.0 88 89 C A H X S+ 0 0 3 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.879 107.7 54.0 -67.7 -37.2 31.8 31.8 -30.6 89 90 C A H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.919 108.0 48.5 -63.7 -43.3 33.1 31.0 -27.1 90 91 C K H X S+ 0 0 62 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.900 112.2 50.6 -62.6 -39.4 30.4 28.4 -26.5 91 92 C K H X S+ 0 0 58 -4,-1.9 4,-0.6 2,-0.2 -2,-0.2 0.948 112.9 45.0 -61.4 -50.5 31.2 26.9 -29.9 92 93 C L H ><>S+ 0 0 2 -4,-2.8 5,-2.3 1,-0.2 3,-0.9 0.889 113.1 48.8 -62.7 -43.2 34.9 26.7 -29.2 93 94 C E H ><5S+ 0 0 39 -4,-2.9 3,-1.2 1,-0.3 -1,-0.2 0.863 107.9 56.6 -66.5 -33.0 34.5 25.3 -25.7 94 95 C G H 3<5S+ 0 0 71 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.673 104.5 53.3 -70.5 -16.4 32.1 22.7 -27.2 95 96 C Q T <<5S- 0 0 94 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.442 126.4-101.1 -94.3 -4.7 34.9 21.7 -29.6 96 97 C G T < 5S+ 0 0 67 -3,-1.2 -3,-0.2 1,-0.3 2,-0.2 0.511 77.8 134.0 99.1 4.4 37.3 21.1 -26.7 97 98 C R < - 0 0 29 -5,-2.3 2,-0.6 -27,-0.0 -1,-0.3 -0.529 55.7-122.2 -84.9 155.2 39.3 24.4 -26.9 98 99 C I - 0 0 113 -27,-0.3 -25,-2.4 -2,-0.2 2,-0.7 -0.878 19.5-163.2 -99.6 123.3 40.1 26.4 -23.7 99 100 C V E -d 73 0A 6 -2,-0.6 -25,-0.2 -27,-0.2 64,-0.2 -0.944 2.6-169.9-106.4 110.3 38.8 30.0 -23.9 100 101 C Q E - 0 0 95 -27,-1.8 63,-1.9 -2,-0.7 2,-0.3 0.884 62.3 -18.7 -68.8 -41.9 40.7 31.9 -21.1 101 102 C R E -de 74 163A 24 -28,-1.2 -26,-2.3 61,-0.2 2,-0.4 -0.990 46.3-142.8-165.1 157.3 38.6 35.0 -21.3 102 103 C I E -de 75 164A 0 61,-2.0 63,-2.5 -2,-0.3 2,-0.6 -0.998 19.0-152.4-125.4 125.0 36.2 37.1 -23.3 103 104 C I E -de 76 165A 1 -28,-2.6 -26,-2.4 -2,-0.4 2,-0.4 -0.893 14.9-166.7-101.6 125.4 36.6 40.9 -23.1 104 105 C M E -de 77 166A 0 61,-3.6 63,-2.8 -2,-0.6 2,-0.7 -0.916 13.0-149.4-115.8 137.6 33.4 42.8 -23.8 105 106 C V E -de 78 167A 0 -28,-1.8 -26,-1.3 -2,-0.4 63,-0.2 -0.903 68.9 -46.5-111.9 105.6 33.0 46.5 -24.4 106 107 C D S S+ 0 0 14 61,-2.9 2,-0.3 -2,-0.7 -1,-0.1 0.721 101.3 111.6 45.6 44.4 29.7 47.9 -23.2 107 108 C S - 0 0 8 -30,-0.1 2,-0.2 60,-0.1 -1,-0.1 -0.983 49.3-144.0-139.9 152.4 27.2 45.3 -24.4 108 109 C Y - 0 0 30 -2,-0.3 2,-0.3 1,-0.1 73,-0.2 -0.583 29.1 -78.1-114.7 175.3 25.0 42.8 -22.6 109 110 C K E -N 180 0B 28 71,-2.4 71,-1.6 -2,-0.2 2,-0.5 -0.525 43.1-118.8 -77.1 133.8 23.7 39.3 -23.0 110 111 C K E +N 179 0B 0 -2,-0.3 46,-1.5 69,-0.2 69,-0.2 -0.577 40.5 164.3 -72.3 118.4 20.7 38.7 -25.3 111 112 C Q + 0 0 105 67,-3.5 2,-0.3 -2,-0.5 68,-0.2 0.606 63.6 5.0-110.1 -20.2 17.9 37.3 -23.1 112 113 C G - 0 0 13 66,-1.6 -1,-0.3 42,-0.2 44,-0.1 -0.972 69.9-108.9-157.4 167.1 15.0 37.9 -25.5 113 114 C V 0 0 71 -2,-0.3 41,-0.1 1,-0.2 -1,-0.1 0.933 360.0 360.0 -66.2 -45.6 14.1 39.0 -29.0 114 115 C S 0 0 95 39,-0.1 -1,-0.2 -3,-0.1 38,-0.0 -0.895 360.0 360.0-166.9 360.0 12.6 42.2 -27.6 115 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 116 124 C S 0 0 88 0, 0.0 3,-0.2 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 -14.4 19.5 49.2 -31.1 117 125 C D > + 0 0 61 1,-0.1 4,-2.3 2,-0.1 5,-0.2 0.124 360.0 108.2-106.6 18.0 22.7 51.3 -31.5 118 126 C V H > S+ 0 0 28 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.901 76.8 46.0 -62.6 -46.5 22.8 50.7 -35.2 119 127 C E H > S+ 0 0 135 2,-0.2 4,-2.9 -3,-0.2 -1,-0.2 0.911 111.7 52.4 -66.7 -40.5 21.8 54.3 -36.3 120 128 C A H > S+ 0 0 36 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.963 114.6 41.9 -58.9 -51.5 24.2 55.9 -33.8 121 129 C L H X S+ 0 0 4 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.882 113.9 52.4 -64.4 -36.6 27.1 53.7 -35.2 122 130 C M H < S+ 0 0 97 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.2 50.6 -65.5 -37.5 25.9 54.3 -38.8 123 131 C N H >< S+ 0 0 78 -4,-2.9 3,-1.4 1,-0.2 4,-0.3 0.918 104.8 57.8 -65.0 -43.5 25.9 58.0 -38.2 124 132 C V H 3< S+ 0 0 91 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.895 116.3 32.4 -54.5 -45.3 29.4 57.9 -36.8 125 133 C N T >< S+ 0 0 23 -4,-1.6 3,-1.2 1,-0.2 -1,-0.3 -0.026 75.2 126.9-106.8 32.7 30.9 56.4 -39.9 126 134 C R T < S+ 0 0 202 -3,-1.4 -1,-0.2 1,-0.3 2,-0.2 0.892 91.6 22.7 -52.1 -42.8 28.6 58.0 -42.5 127 135 C D T 3 S+ 0 0 92 -3,-0.3 2,-0.6 -4,-0.3 -1,-0.3 -0.516 85.7 149.0-126.0 63.5 31.8 59.2 -44.3 128 136 C N < - 0 0 62 -3,-1.2 3,-0.3 1,-0.2 -3,-0.1 -0.880 40.1-149.0-102.1 119.2 34.5 56.9 -43.2 129 137 C E S > S+ 0 0 163 -2,-0.6 3,-2.5 1,-0.2 4,-0.5 0.901 96.0 59.2 -49.0 -49.2 37.3 56.3 -45.7 130 138 C A G > S+ 0 0 40 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.909 107.7 43.9 -47.7 -53.2 37.9 52.8 -44.4 131 139 C L G 3 S+ 0 0 14 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.199 103.7 71.8 -80.6 18.2 34.3 51.6 -45.1 132 140 C N G < + 0 0 49 -3,-2.5 -1,-0.2 4,-0.1 -2,-0.2 0.492 68.7 114.6-109.2 -8.4 34.6 53.4 -48.5 133 141 C S S <> S- 0 0 41 -3,-1.2 4,-2.3 -4,-0.5 5,-0.2 -0.030 80.5-108.8 -56.4 167.4 37.0 50.9 -50.2 134 142 C E H > S+ 0 0 148 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.893 117.6 53.8 -67.6 -40.0 35.7 48.9 -53.1 135 143 C A H > S+ 0 0 76 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.859 118.2 34.5 -63.1 -37.8 35.6 45.7 -51.1 136 144 C V H >> S+ 0 0 11 -6,-0.2 4,-1.9 2,-0.2 3,-0.8 0.951 107.8 61.5 -83.3 -55.8 33.5 47.1 -48.4 137 145 C K H 3< S+ 0 0 128 -4,-2.3 4,-0.5 1,-0.2 -2,-0.1 0.815 101.3 57.7 -39.9 -43.6 31.2 49.6 -50.2 138 146 C H H 3< S+ 0 0 172 -4,-1.2 4,-0.3 -5,-0.2 -1,-0.2 0.921 121.9 20.7 -58.6 -49.4 29.7 46.7 -52.2 139 147 C G H S+ 0 0 180 -4,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.944 117.1 42.3 -55.0 -52.0 24.5 47.7 -46.5 142 150 C Q H > S+ 0 0 103 -4,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.875 112.8 52.5 -65.7 -39.7 23.7 44.0 -46.6 143 151 C K H X S+ 0 0 20 -4,-2.7 4,-2.2 2,-0.2 5,-0.2 0.909 110.7 46.9 -66.1 -40.4 26.3 43.1 -44.0 144 152 C T H X S+ 0 0 9 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.927 113.4 49.3 -65.5 -42.9 25.1 45.7 -41.4 145 153 C H H X S+ 0 0 108 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.907 111.6 49.9 -60.8 -42.3 21.5 44.6 -42.0 146 154 C A H X S+ 0 0 18 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.890 112.0 45.7 -64.5 -43.0 22.4 40.9 -41.6 147 155 C F H X S+ 0 0 0 -4,-2.2 4,-2.6 -121,-0.2 -1,-0.2 0.908 113.1 51.0 -68.6 -40.4 24.3 41.5 -38.3 148 156 C Y H X S+ 0 0 94 -4,-2.5 4,-2.6 -122,-0.3 5,-0.2 0.938 111.2 48.1 -60.1 -46.8 21.5 43.7 -37.0 149 157 C S H X S+ 0 0 35 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.875 111.2 51.1 -62.3 -39.7 18.9 40.9 -37.9 150 158 C Y H X S+ 0 0 31 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.935 112.3 46.7 -62.6 -47.2 21.1 38.3 -36.2 151 159 C Y H >< S+ 0 0 17 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.936 109.2 51.3 -61.9 -51.6 21.4 40.4 -33.0 152 160 C V H 3< S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.871 117.7 39.0 -57.2 -38.6 17.7 41.3 -32.6 153 161 C N H 3< S+ 0 0 105 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.597 91.6 111.6 -89.1 -12.5 16.6 37.7 -33.0 154 162 C L << - 0 0 21 -4,-1.1 2,-0.4 -3,-0.5 -42,-0.2 -0.352 42.2-173.6 -67.1 139.2 19.4 36.1 -31.0 155 163 C I - 0 0 88 -44,-0.1 2,-0.5 -2,-0.1 -44,-0.2 -0.915 14.5-152.7-133.1 103.3 18.6 34.5 -27.6 156 164 C S + 0 0 4 -46,-1.5 2,-0.2 -2,-0.4 -2,-0.0 -0.674 20.6 171.6 -83.7 126.4 21.8 33.4 -25.8 157 165 C T + 0 0 97 -2,-0.5 -47,-0.1 2,-0.1 -2,-0.0 -0.727 35.7 32.5-123.8 173.6 21.5 30.5 -23.4 158 166 C G S S- 0 0 42 -2,-0.2 2,-0.3 28,-0.0 -68,-0.0 -0.168 75.2 -88.1 77.2-170.3 23.9 28.4 -21.5 159 167 C Q - 0 0 95 -69,-0.1 2,-0.3 28,-0.0 27,-0.3 -0.923 18.0-141.1-139.9 163.4 27.3 29.3 -20.0 160 168 C V B -o 186 0C 1 25,-2.2 27,-2.1 -2,-0.3 28,-0.5 -0.809 15.4-139.7-118.2 161.9 31.0 29.5 -20.8 161 169 C K S S+ 0 0 154 -2,-0.3 28,-0.2 25,-0.2 25,-0.1 0.669 73.4 105.8 -93.0 -20.5 33.8 28.5 -18.5 162 170 C A S S- 0 0 3 26,-0.1 26,-0.5 1,-0.1 -61,-0.2 -0.195 79.8-110.3 -59.7 146.3 35.9 31.5 -19.7 163 171 C D E -e 101 0A 52 -63,-1.9 -61,-2.0 -64,-0.2 2,-0.4 -0.447 32.2-144.2 -71.9 154.6 36.2 34.6 -17.5 164 172 C I E -ef 102 190A 0 25,-2.7 27,-3.1 -63,-0.2 2,-0.5 -0.991 13.2-168.4-128.6 125.2 34.4 37.6 -18.8 165 173 C D E -ef 103 191A 4 -63,-2.5 -61,-3.6 -2,-0.4 2,-0.5 -0.953 7.1-163.9-112.9 131.5 35.6 41.1 -18.5 166 174 C L E -ef 104 192A 1 25,-3.1 27,-1.9 -2,-0.5 2,-0.7 -0.964 11.6-159.3-122.5 125.4 33.3 44.0 -19.2 167 175 C L E -ef 105 193A 0 -63,-2.8 -61,-2.9 -2,-0.5 2,-0.2 -0.907 24.3-153.4 -98.6 116.5 34.3 47.7 -19.9 168 176 C T E - 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0 0 68 0, 0.0 2,-0.3 0, 0.0 27,-0.2 -0.360 60.2-130.8 -66.7 147.4 49.0 48.2 0.2 297 74 O L E - k 0 323A 0 25,-2.9 27,-1.8 -2,-0.0 28,-1.2 -0.766 12.5-158.0-104.4 145.9 46.2 46.7 2.3 298 75 O T E - k 0 325A 13 -55,-0.4 -53,-2.6 -2,-0.3 2,-0.3 -0.988 15.0-169.2-121.8 121.5 44.0 43.8 1.6 299 76 O L E -jk 245 326A 0 26,-2.3 28,-2.7 -2,-0.5 2,-0.3 -0.766 2.3-165.4-109.9 159.2 40.6 43.6 3.5 300 77 O F E +jk 246 327A 7 -55,-2.4 -53,-3.1 -2,-0.3 2,-0.3 -0.992 7.7 175.3-143.7 146.7 38.1 40.8 3.8 301 78 O G E -jk 247 328A 0 26,-2.4 28,-1.5 -2,-0.3 2,-0.3 -0.993 11.6-168.1-151.7 154.0 34.5 40.5 4.9 302 79 O Y E > - k 0 329A 25 -55,-0.7 3,-2.1 -2,-0.3 28,-0.2 -0.989 67.5 -21.6-140.6 140.2 31.7 37.9 5.1 303 80 O S T > S- 0 0 15 26,-1.7 3,-2.2 -2,-0.3 4,-0.4 -0.314 138.7 -5.2 59.1-138.8 28.1 38.7 5.9 304 81 O A T >> S+ 0 0 2 1,-0.3 4,-1.5 2,-0.2 3,-0.7 0.717 125.8 76.5 -58.0 -22.5 27.7 42.0 7.7 305 82 O G H <> S+ 0 0 0 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.758 82.8 66.3 -61.5 -23.9 31.5 42.2 7.8 306 83 O C H <> S+ 0 0 0 -3,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.919 101.7 47.2 -62.8 -43.8 31.5 43.2 4.1 307 84 O S H <> S+ 0 0 0 -3,-0.7 4,-2.3 -4,-0.4 -2,-0.2 0.902 112.2 49.5 -64.2 -42.8 29.8 46.4 5.0 308 85 O L H X S+ 0 0 0 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.900 109.1 52.5 -63.2 -41.1 32.3 47.1 7.8 309 86 O A H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.890 109.8 48.8 -62.7 -39.4 35.2 46.4 5.5 310 87 O F H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.927 113.5 46.1 -65.9 -45.1 33.8 48.9 2.9 311 88 O E H X S+ 0 0 20 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.883 114.3 48.3 -65.3 -37.4 33.3 51.6 5.6 312 89 O A H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.867 108.0 55.3 -70.5 -36.3 36.8 50.9 7.0 313 90 O A H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.917 105.8 51.4 -62.8 -43.1 38.3 51.0 3.5 314 91 O K H X S+ 0 0 56 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.916 110.9 48.8 -59.7 -42.7 36.9 54.5 3.0 315 92 O K H X S+ 0 0 72 -4,-1.6 4,-0.8 1,-0.2 -2,-0.2 0.934 112.9 47.6 -61.8 -47.4 38.4 55.6 6.3 316 93 O L H ><>S+ 0 0 1 -4,-2.6 5,-2.0 1,-0.2 3,-0.7 0.894 110.7 48.6 -62.6 -45.2 41.8 54.2 5.4 317 94 O E H ><5S+ 0 0 41 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.837 106.8 59.2 -66.1 -29.3 42.0 55.7 1.9 318 95 O G H 3<5S+ 0 0 71 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.771 102.7 53.1 -68.5 -24.2 41.0 59.0 3.5 319 96 O Q T <<5S- 0 0 88 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.336 127.1 -99.7 -91.8 5.4 44.1 58.7 5.7 320 97 O G T < 5S+ 0 0 61 -3,-1.4 -3,-0.2 1,-0.3 -2,-0.1 0.373 78.1 137.0 94.7 -5.6 46.3 58.2 2.6 321 98 O R < - 0 0 30 -5,-2.0 2,-0.6 1,-0.1 -1,-0.3 -0.428 54.0-123.8 -75.4 151.7 46.6 54.4 2.9 322 99 O I - 0 0 118 -27,-0.3 -25,-2.9 -2,-0.1 2,-0.8 -0.865 17.6-161.5 -98.4 119.0 46.4 52.3 -0.3 323 100 O V E -k 297 0A 6 -2,-0.6 71,-0.2 -27,-0.2 -25,-0.2 -0.898 4.6-170.9-101.5 107.9 43.7 49.6 -0.1 324 101 O Q E - 0 0 79 -27,-1.8 70,-1.8 -2,-0.8 2,-0.3 0.917 61.9 -21.0 -64.9 -47.9 44.6 47.2 -2.9 325 102 O R E -kl 298 394A 20 -28,-1.2 -26,-2.3 68,-0.2 2,-0.5 -0.993 47.1-141.1-162.2 157.4 41.4 45.1 -2.7 326 103 O I E -kl 299 395A 0 68,-2.2 70,-2.5 -2,-0.3 2,-0.6 -0.995 18.5-152.4-125.4 121.4 38.5 44.2 -0.6 327 104 O I E -kl 300 396A 3 -28,-2.7 -26,-2.4 -2,-0.5 2,-0.4 -0.877 15.2-166.8 -98.9 119.3 37.3 40.5 -0.8 328 105 O M E -kl 301 397A 0 68,-3.7 70,-2.6 -2,-0.6 2,-0.6 -0.861 10.4-152.5-108.0 136.8 33.6 40.2 -0.0 329 106 O V E -kl 302 398A 0 -28,-1.5 -26,-1.7 -2,-0.4 70,-0.2 -0.920 67.0 -43.8-117.0 109.6 31.8 36.9 0.7 330 107 O D S S+ 0 0 19 68,-2.8 2,-0.3 -2,-0.6 -1,-0.1 0.802 102.6 108.5 41.5 55.4 28.1 36.8 -0.2 331 108 O S - 0 0 10 -30,-0.1 2,-0.2 67,-0.1 -1,-0.1 -0.988 50.3-144.1-151.5 151.0 26.9 40.2 1.1 332 109 O Y - 0 0 23 -2,-0.3 2,-0.2 80,-0.1 80,-0.2 -0.659 27.6 -84.1-118.8 172.1 25.9 43.4 -0.5 333 110 O K E -Q 411 0E 24 78,-2.1 78,-1.7 -2,-0.2 2,-0.4 -0.525 42.5-119.0 -75.9 134.9 26.0 47.2 -0.1 334 111 O K E +Q 410 0E 0 -2,-0.2 53,-1.6 76,-0.2 76,-0.2 -0.617 36.6 168.6 -75.1 125.2 23.4 48.8 2.2 335 112 O Q - 0 0 109 74,-3.4 2,-0.3 -2,-0.4 75,-0.2 0.501 67.1 -8.9-111.9 -13.4 21.4 51.3 0.2 336 113 O G S S- 0 0 14 73,-1.5 -1,-0.3 49,-0.3 2,-0.2 -0.963 95.9 -52.1-168.4 177.1 18.7 51.8 2.8 337 114 O V - 0 0 81 -2,-0.3 47,-0.2 47,-0.1 46,-0.1 -0.453 65.6-107.2 -66.0 131.5 17.3 50.7 6.2 338 115 O S - 0 0 12 45,-2.5 2,-0.7 -2,-0.2 -1,-0.1 -0.329 25.0-132.6 -61.8 137.5 16.7 46.9 6.1 339 116 O D - 0 0 85 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 -0.851 20.4-174.7 -95.1 113.1 13.1 45.9 6.0 340 117 O L > - 0 0 26 -2,-0.7 3,-2.7 1,-0.3 -1,-0.1 0.251 21.5-153.8 -91.9 13.0 12.5 43.2 8.6 341 118 O D T 3 S- 0 0 145 1,-0.3 -1,-0.3 0, 0.0 0, 0.0 -0.287 71.7 -15.1 53.7-121.4 8.9 42.6 7.5 342 119 O G T 3 S+ 0 0 80 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.2 0.148 122.4 89.6 -99.3 19.5 7.0 41.3 10.5 343 120 O R < - 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