==== 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 TRANSFERASE 10-SEP-08 3EGE . COMPND 2 MOLECULE: PUTATIVE METHYLTRANSFERASE FROM ANTIBIOTIC BIOSYN . SOURCE 2 ORGANISM_SCIENTIFIC: ANABAENA VARIABILIS ATCC 29413; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 247 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12035.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 176 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 22 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 7.3 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 . 16 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 3 1 1 1 0 0 2 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 12 A S 0 0 82 0, 0.0 173,-0.0 0, 0.0 194,-0.0 0.000 360.0 360.0 360.0 44.9 36.3 25.1 7.3 2 13 A Q + 0 0 146 189,-0.1 3,-0.1 3,-0.1 190,-0.1 0.639 360.0 12.9-107.2 -49.0 33.8 27.1 9.4 3 14 A T S S+ 0 0 17 188,-0.2 172,-2.5 1,-0.1 2,-0.6 0.466 122.2 72.2 -99.4 -13.0 35.6 30.4 8.6 4 15 A R B +A 174 0A 75 170,-0.3 170,-0.2 171,-0.1 -1,-0.1 -0.454 65.3 161.1 -99.9 57.9 37.6 28.8 5.8 5 16 A V - 0 0 70 168,-1.1 -3,-0.1 -2,-0.6 168,-0.1 -0.690 49.0-107.7 -82.5 119.5 34.6 28.5 3.5 6 17 A P - 0 0 36 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.256 32.3-131.5 -56.1 134.7 36.0 28.1 -0.1 7 18 A D >> - 0 0 8 1,-0.1 4,-2.0 167,-0.0 3,-0.8 -0.783 3.8-136.6 -94.0 134.5 35.6 31.2 -2.2 8 19 A I H 3> S+ 0 0 112 -2,-0.4 4,-2.7 1,-0.3 5,-0.1 0.708 103.5 59.1 -61.5 -27.2 34.1 30.8 -5.7 9 20 A R H 3> S+ 0 0 85 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.846 107.2 46.0 -70.8 -35.4 36.6 33.3 -7.2 10 21 A I H <> S+ 0 0 0 -3,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.937 114.3 48.8 -69.7 -45.2 39.5 31.1 -6.0 11 22 A V H X S+ 0 0 6 -4,-2.0 4,-3.0 1,-0.2 -2,-0.2 0.914 111.7 48.6 -59.8 -47.9 37.6 28.0 -7.4 12 23 A N H X S+ 0 0 66 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.873 111.2 51.6 -58.6 -40.0 37.0 29.7 -10.8 13 24 A A H X S+ 0 0 22 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.929 113.0 44.2 -60.8 -49.2 40.7 30.7 -10.9 14 25 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.927 113.7 50.8 -62.2 -47.5 41.8 27.1 -10.3 15 26 A I H X S+ 0 0 42 -4,-3.0 4,-2.0 2,-0.2 5,-0.4 0.893 110.6 49.4 -57.6 -43.0 39.2 25.8 -12.8 16 27 A N H < S+ 0 0 120 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.915 112.1 46.8 -66.4 -42.7 40.5 28.3 -15.5 17 28 A L H < S+ 0 0 31 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.806 112.7 50.7 -66.3 -32.3 44.2 27.3 -14.9 18 29 A L H < S- 0 0 4 -4,-2.0 95,-0.4 -5,-0.2 -2,-0.2 0.870 81.2-171.1 -71.4 -42.3 43.3 23.6 -15.1 19 30 A N < + 0 0 142 -4,-2.0 -3,-0.1 -5,-0.2 -4,-0.1 0.890 27.4 153.1 47.8 51.0 41.4 24.0 -18.3 20 31 A L - 0 0 43 -5,-0.4 -1,-0.2 4,-0.0 2,-0.1 -0.824 45.3-114.1-108.3 146.2 40.1 20.4 -18.1 21 32 A P > - 0 0 91 0, 0.0 3,-1.4 0, 0.0 2,-0.0 -0.431 48.5 -80.4 -73.6 159.3 36.8 18.9 -19.5 22 33 A K T 3 S+ 0 0 109 1,-0.2 23,-0.2 -2,-0.1 22,-0.1 -0.344 118.9 34.8 -58.0 134.1 34.1 17.7 -17.2 23 34 A G T 3 S+ 0 0 41 21,-3.2 -1,-0.2 1,-0.3 22,-0.2 0.445 85.0 135.4 93.6 3.3 34.9 14.2 -15.9 24 35 A S < - 0 0 10 -3,-1.4 22,-2.8 20,-0.5 2,-0.4 -0.372 51.9-124.1 -75.3 161.6 38.6 14.7 -15.7 25 36 A V E -b 46 0B 19 20,-0.2 59,-2.3 -3,-0.1 60,-1.6 -0.912 27.0-175.7-112.4 134.2 40.6 13.5 -12.6 26 37 A I E -bc 47 85B 0 20,-2.4 22,-2.8 -2,-0.4 2,-0.4 -0.958 20.8-136.1-126.9 151.7 42.8 15.8 -10.4 27 38 A A E -bc 48 86B 0 58,-2.1 60,-2.9 -2,-0.3 2,-0.6 -0.896 12.2-157.2-102.6 134.4 45.0 15.2 -7.5 28 39 A D E > -bc 49 87B 3 20,-2.6 22,-3.2 -2,-0.4 2,-0.6 -0.963 12.4-161.1-113.5 104.0 44.7 17.7 -4.6 29 40 A I E 3 S+b 50 0B 2 58,-2.7 60,-0.2 -2,-0.6 22,-0.2 -0.815 77.6 14.7 -95.6 120.2 48.0 17.5 -2.7 30 41 A G T 3 S+ 0 0 10 20,-2.5 -1,-0.3 -2,-0.6 59,-0.3 0.939 77.0 173.5 77.5 57.6 47.8 19.0 0.8 31 42 A A X - 0 0 13 19,-1.9 3,-2.5 -3,-0.5 5,-0.3 0.666 10.4-176.9 -71.4 -21.0 44.0 18.9 0.7 32 43 A G T 3 S- 0 0 12 1,-0.3 -1,-0.2 18,-0.2 -2,-0.1 -0.368 72.8 -3.3 59.9-121.0 43.7 20.0 4.3 33 44 A T T 3 S- 0 0 38 -2,-0.1 28,-0.3 1,-0.1 -1,-0.3 0.562 96.9-120.9 -76.8 -10.1 40.0 20.0 5.3 34 45 A G S <> S+ 0 0 2 -3,-2.5 4,-2.7 26,-0.1 5,-0.2 0.572 71.3 132.8 81.2 11.4 39.0 19.1 1.7 35 46 A G H > S+ 0 0 17 -4,-0.3 4,-2.4 1,-0.2 5,-0.1 0.938 79.8 39.4 -57.4 -50.7 36.9 22.3 1.2 36 47 A Y H > S+ 0 0 25 -5,-0.3 4,-3.0 2,-0.2 5,-0.2 0.829 112.1 58.6 -67.9 -33.3 38.5 23.0 -2.3 37 48 A S H > S+ 0 0 0 -6,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.940 113.4 38.2 -57.8 -50.2 38.5 19.2 -3.1 38 49 A V H X S+ 0 0 21 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.895 114.7 54.4 -68.7 -43.5 34.7 19.1 -2.6 39 50 A A H < S+ 0 0 21 -4,-2.4 4,-0.2 -5,-0.2 -2,-0.2 0.909 114.3 41.0 -57.0 -45.9 34.3 22.6 -4.3 40 51 A L H ><>S+ 0 0 0 -4,-3.0 3,-1.1 2,-0.2 5,-0.5 0.838 111.1 56.6 -72.2 -34.8 36.2 21.3 -7.4 41 52 A A H >X5S+ 0 0 4 -4,-2.1 3,-2.1 1,-0.2 4,-1.0 0.934 103.2 56.2 -59.5 -44.0 34.4 18.0 -7.3 42 53 A N T 3<5S+ 0 0 106 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.580 96.2 65.2 -63.9 -13.1 31.2 20.0 -7.5 43 54 A Q T <45S- 0 0 93 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.377 131.7 -86.8 -85.0 1.0 32.5 21.6 -10.7 44 55 A G T <45S+ 0 0 26 -3,-2.1 -21,-3.2 1,-0.3 -20,-0.5 0.812 88.9 123.1 94.8 39.0 32.4 18.1 -12.5 45 56 A L << - 0 0 8 -4,-1.0 2,-0.4 -5,-0.5 -1,-0.3 -0.920 59.3-128.3-125.8 151.2 35.8 16.7 -11.6 46 57 A F E -b 25 0B 93 -22,-2.8 -20,-2.4 -2,-0.3 2,-0.4 -0.863 33.3-157.8 -92.5 135.1 36.9 13.5 -9.8 47 58 A V E -bd 26 66B 0 18,-3.0 20,-2.8 -2,-0.4 2,-0.8 -0.981 19.6-159.6-123.7 128.0 39.4 14.5 -7.0 48 59 A Y E -bd 27 67B 66 -22,-2.8 -20,-2.6 -2,-0.4 2,-0.5 -0.917 23.3-156.8-102.2 102.7 42.1 12.3 -5.3 49 60 A A E -bd 28 68B 0 18,-2.6 20,-3.0 -2,-0.8 2,-0.5 -0.734 9.8-170.7 -85.4 122.8 42.6 14.2 -2.0 50 61 A V E +bd 29 69B 5 -22,-3.2 -20,-2.5 -2,-0.5 -19,-1.9 -0.986 18.3 152.3-117.5 122.9 46.0 13.6 -0.3 51 62 A E - 0 0 20 18,-2.2 21,-0.1 -2,-0.5 20,-0.1 -0.925 35.6-152.8-150.3 122.1 46.5 15.0 3.2 52 63 A P S S+ 0 0 50 0, 0.0 2,-0.4 0, 0.0 20,-0.1 0.807 70.9 98.4 -67.1 -30.8 48.9 13.7 6.0 53 64 A S > - 0 0 36 1,-0.2 4,-0.7 18,-0.1 18,-0.0 -0.461 55.1-166.1 -62.9 112.4 46.7 15.1 8.9 54 65 A I H > S+ 0 0 85 -2,-0.4 4,-1.1 2,-0.2 3,-0.3 0.817 90.7 55.6 -67.3 -33.0 44.5 12.2 10.2 55 66 A V H >> S+ 0 0 86 1,-0.2 4,-1.6 2,-0.2 3,-1.4 0.995 102.7 52.3 -58.2 -67.0 42.4 14.9 12.1 56 67 A X H 34 S+ 0 0 84 1,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.584 102.7 61.4 -50.6 -18.9 41.6 17.0 8.9 57 68 A R H 3< S+ 0 0 122 -4,-0.7 -1,-0.3 -3,-0.3 -2,-0.2 0.923 106.3 44.8 -68.5 -50.4 40.3 13.7 7.1 58 69 A Q H << S+ 0 0 133 -3,-1.4 2,-2.2 -4,-1.1 -2,-0.2 0.932 104.8 63.8 -60.4 -48.3 37.6 13.3 9.8 59 70 A Q S < S+ 0 0 120 -4,-1.6 2,-0.3 2,-0.0 -1,-0.2 -0.507 92.5 99.0 -74.2 73.6 36.8 17.1 9.5 60 71 A A S S- 0 0 33 -2,-2.2 2,-0.4 -26,-0.1 -26,-0.1 -0.933 77.0-109.3-165.9 140.1 35.6 16.6 5.9 61 72 A V - 0 0 104 -28,-0.3 2,-0.4 -2,-0.3 -2,-0.0 -0.565 33.0-127.3 -73.2 122.7 32.5 16.2 3.8 62 73 A V - 0 0 145 -2,-0.4 5,-0.1 3,-0.0 -1,-0.1 -0.637 37.5-178.9 -68.8 122.1 32.1 12.7 2.3 63 74 A H > - 0 0 26 -2,-0.4 3,-1.5 3,-0.3 -25,-0.0 -0.990 34.6-131.9-130.2 137.6 31.6 13.3 -1.4 64 75 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.760 108.3 43.9 -58.6 -30.9 31.0 10.7 -4.1 65 76 A Q T 3 S+ 0 0 76 -20,-0.1 -18,-3.0 -27,-0.1 2,-0.4 0.173 99.0 84.0-100.2 12.1 33.6 12.2 -6.5 66 77 A V E < -d 47 0B 15 -3,-1.5 2,-0.5 -20,-0.2 -3,-0.3 -0.976 57.7-165.3-117.1 126.8 36.3 12.8 -3.8 67 78 A E E -d 48 0B 102 -20,-2.8 -18,-2.6 -2,-0.4 2,-0.5 -0.974 15.6-142.5-110.0 126.8 38.7 9.9 -2.8 68 79 A W E -d 49 0B 60 -2,-0.5 2,-0.4 -20,-0.2 -18,-0.2 -0.781 19.2-180.0 -99.3 126.7 40.6 10.5 0.5 69 80 A F E -d 50 0B 72 -20,-3.0 -18,-2.2 -2,-0.5 2,-0.6 -0.990 18.2-147.8-122.6 126.0 44.3 9.4 0.9 70 81 A T + 0 0 56 -2,-0.4 2,-0.3 -20,-0.2 -20,-0.1 -0.861 53.7 97.5 -92.8 119.2 46.3 10.0 4.2 71 82 A G - 0 0 22 -2,-0.6 2,-0.2 -20,-0.1 -18,-0.1 -0.957 69.1 -79.7 175.9 172.7 49.9 10.5 3.3 72 83 A Y > - 0 0 150 3,-0.4 3,-1.7 -2,-0.3 -21,-0.1 -0.639 34.3-118.9 -95.7 152.1 52.7 13.0 2.7 73 84 A A T 3 S+ 0 0 6 1,-0.3 3,-0.4 -2,-0.2 31,-0.1 0.775 109.8 61.7 -56.7 -31.6 53.3 15.0 -0.5 74 85 A E T 3 S+ 0 0 39 1,-0.3 -1,-0.3 30,-0.1 2,-0.1 0.491 112.7 33.8 -75.8 -10.1 56.8 13.4 -1.0 75 86 A N S < S- 0 0 119 -3,-1.7 -3,-0.4 26,-0.0 2,-0.3 -0.638 74.8-174.3-150.5 83.6 55.4 9.8 -1.3 76 87 A L - 0 0 7 -3,-0.4 -3,-0.1 -2,-0.1 -5,-0.0 -0.659 21.3-148.9 -82.5 134.6 52.1 9.6 -3.0 77 88 A A + 0 0 93 -2,-0.3 -1,-0.1 2,-0.0 -6,-0.0 0.533 66.9 110.7 -77.1 -5.4 50.4 6.2 -3.1 78 89 A L S S- 0 0 7 1,-0.1 3,-0.1 -30,-0.0 -2,-0.1 -0.425 73.7-110.7 -73.7 138.7 48.7 7.2 -6.5 79 90 A P > - 0 0 86 0, 0.0 3,-0.8 0, 0.0 4,-0.1 -0.112 40.1 -80.7 -66.1 168.5 50.0 5.3 -9.6 80 91 A D T 3 S+ 0 0 108 1,-0.2 28,-0.3 2,-0.1 27,-0.1 -0.421 114.7 5.9 -61.6 138.7 52.1 6.8 -12.4 81 92 A K T 3 S+ 0 0 100 26,-2.2 -1,-0.2 28,-0.2 28,-0.2 0.870 88.9 132.8 52.1 47.6 49.9 8.7 -14.9 82 93 A S < + 0 0 12 26,-1.1 2,-0.3 -3,-0.8 27,-0.2 0.438 57.9 49.9-106.1 -8.8 46.7 8.4 -12.8 83 94 A V B -h 109 0C 0 25,-2.2 27,-1.8 -4,-0.1 -57,-0.2 -0.960 61.6-146.4-134.4 153.5 45.4 12.0 -12.9 84 95 A D S S+ 0 0 36 -59,-2.3 28,-1.3 -2,-0.3 2,-0.3 0.775 86.5 10.1 -84.4 -33.0 44.8 14.6 -15.6 85 96 A G E -c 26 0B 0 -60,-1.6 -58,-2.1 27,-0.2 2,-0.4 -0.935 62.7-146.3-145.5 166.2 45.7 17.5 -13.4 86 97 A V E -ce 27 114B 0 27,-1.8 29,-2.4 -2,-0.3 2,-0.3 -0.999 14.1-176.6-138.4 136.8 47.2 18.4 -10.0 87 98 A I E -ce 28 115B 0 -60,-2.9 -58,-2.7 -2,-0.4 2,-0.3 -0.945 14.6-175.3-130.4 152.6 46.5 21.2 -7.5 88 99 A S E - e 0 116B 0 27,-1.7 29,-2.2 -2,-0.3 2,-0.8 -0.836 14.8-162.6-145.3 108.6 48.0 22.4 -4.2 89 100 A I E S- e 0 117B 20 -2,-0.3 29,-0.1 -59,-0.3 -53,-0.1 -0.851 72.3 -33.5-100.2 104.8 46.0 25.3 -2.7 90 101 A L S S+ 0 0 27 27,-2.8 -1,-0.2 -2,-0.8 28,-0.1 0.898 118.3 97.5 48.0 53.4 48.0 27.2 0.0 91 102 A A > + 0 0 6 26,-0.4 3,-2.9 -3,-0.2 4,-0.3 0.613 45.8 85.1-133.4 -34.9 49.7 23.9 1.1 92 103 A I G > S+ 0 0 3 1,-0.3 3,-1.3 25,-0.3 26,-0.1 0.686 84.4 66.0 -55.2 -27.3 53.2 23.5 -0.5 93 104 A H G 3 S+ 0 0 59 1,-0.2 -1,-0.3 50,-0.0 5,-0.1 0.637 97.2 56.7 -65.6 -17.9 54.8 25.6 2.3 94 105 A H G < S+ 0 0 127 -3,-2.9 -1,-0.2 -64,-0.0 2,-0.2 0.458 84.8 105.3 -89.6 -5.2 53.9 22.8 4.7 95 106 A F < - 0 0 32 -3,-1.3 3,-0.3 -4,-0.3 -23,-0.0 -0.558 58.9-153.5 -80.5 142.3 55.8 20.2 2.6 96 107 A S S S+ 0 0 81 1,-0.3 2,-0.4 -2,-0.2 -1,-0.1 0.786 90.9 31.2 -84.9 -32.2 59.2 18.9 4.1 97 108 A H S > S+ 0 0 119 1,-0.1 4,-1.9 2,-0.0 -1,-0.3 -0.786 70.1 176.3-128.8 84.4 60.8 17.9 0.7 98 109 A L H > S+ 0 0 19 -2,-0.4 4,-2.0 -3,-0.3 -1,-0.1 0.833 75.9 53.9 -59.6 -38.8 59.4 20.3 -1.8 99 110 A E H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.954 110.5 44.9 -63.7 -52.6 61.5 19.0 -4.8 100 111 A K H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.853 111.3 55.3 -59.7 -37.8 60.5 15.4 -4.3 101 112 A S H X S+ 0 0 1 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.899 109.2 47.5 -61.4 -40.3 56.8 16.6 -3.9 102 113 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 3,-0.2 0.935 110.5 50.8 -64.4 -46.8 57.1 18.4 -7.3 103 114 A Q H X S+ 0 0 75 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.861 108.9 53.6 -55.8 -41.7 58.7 15.2 -8.9 104 115 A E H X S+ 0 0 12 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.836 106.2 51.6 -61.4 -39.9 55.7 13.3 -7.5 105 116 A X H X S+ 0 0 0 -4,-1.6 4,-1.3 -3,-0.2 -2,-0.2 0.924 111.0 47.7 -64.1 -45.3 53.2 15.7 -9.1 106 117 A Q H < S+ 0 0 57 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.849 109.0 55.6 -61.7 -36.2 54.9 15.2 -12.4 107 118 A R H < S+ 0 0 63 -4,-1.8 -26,-2.2 1,-0.2 -1,-0.2 0.878 112.3 40.8 -65.3 -40.3 54.9 11.4 -12.0 108 119 A I H < S+ 0 0 0 -4,-1.7 -25,-2.2 -28,-0.3 -26,-1.1 0.692 97.3 96.2 -82.4 -20.6 51.1 11.2 -11.5 109 120 A I B < -h 83 0C 4 -4,-1.3 -25,-0.2 -28,-0.2 -28,-0.2 -0.455 47.2-172.8 -83.1 142.7 50.1 13.7 -14.1 110 121 A R - 0 0 103 -27,-1.8 -26,-0.1 -2,-0.2 -1,-0.1 0.624 68.4 -33.7 -93.0-111.2 49.0 12.9 -17.7 111 122 A D S S+ 0 0 146 -30,-0.1 -27,-0.1 2,-0.0 -26,-0.1 0.533 109.9 86.3 -95.8 -10.4 48.4 15.8 -20.2 112 123 A G S S- 0 0 12 -28,-1.3 2,-0.3 -29,-0.2 -27,-0.2 0.172 75.0 -85.3 -80.5-158.6 47.0 18.5 -17.9 113 124 A T - 0 0 22 -95,-0.4 -27,-1.8 -96,-0.0 2,-0.5 -0.742 17.6-128.1-119.3 153.7 48.5 21.2 -15.7 114 125 A I E -e 86 0B 0 -2,-0.3 131,-1.6 -29,-0.2 2,-0.5 -0.891 27.8-168.5 -96.7 123.1 49.9 21.6 -12.2 115 126 A V E -eF 87 244B 0 -29,-2.4 -27,-1.7 -2,-0.5 2,-0.5 -0.974 4.9-176.6-120.3 113.0 48.2 24.6 -10.5 116 127 A L E -eF 88 243B 0 127,-3.4 127,-2.5 -2,-0.5 2,-0.7 -0.953 16.2-157.9-112.7 122.5 49.7 25.9 -7.2 117 128 A L E +eF 89 242B 1 -29,-2.2 -27,-2.8 -2,-0.5 -26,-0.4 -0.936 43.4 139.5 -95.5 114.0 48.1 28.7 -5.2 118 129 A T E - F 0 241B 1 123,-3.2 123,-2.7 -2,-0.7 2,-0.3 -0.578 34.9-135.4-138.3-165.9 51.1 29.9 -3.2 119 130 A F E - F 0 240B 22 121,-0.3 2,-0.3 -2,-0.2 121,-0.2 -0.990 15.9-155.6-157.4 164.6 52.7 33.1 -1.9 120 131 A D > - 0 0 7 119,-1.9 3,-2.2 -2,-0.3 4,-0.3 -0.821 9.0-164.0-145.7 104.9 55.8 35.3 -1.4 121 132 A I G > S+ 0 0 12 19,-0.3 3,-1.4 1,-0.3 20,-0.1 0.782 88.9 70.8 -58.8 -28.6 55.4 37.9 1.4 122 133 A R G 3 S+ 0 0 110 1,-0.3 -1,-0.3 18,-0.1 117,-0.1 0.645 98.8 49.7 -59.3 -22.0 58.5 39.7 -0.0 123 134 A L G < S+ 0 0 73 -3,-2.2 116,-0.4 116,-0.1 -1,-0.3 0.447 91.1 107.2 -96.5 -6.9 56.2 40.7 -3.0 124 135 A A < - 0 0 26 -3,-1.4 114,-0.2 -4,-0.3 2,-0.2 -0.316 69.2-122.2 -73.3 152.5 53.4 42.0 -0.8 125 136 A Q - 0 0 96 112,-2.0 -1,-0.1 1,-0.1 2,-0.1 -0.498 52.2 -67.8 -85.1 160.9 52.6 45.7 -0.4 126 137 A R - 0 0 187 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.345 57.6-168.8 -51.6 122.7 52.6 47.2 3.1 127 138 A I > - 0 0 5 1,-0.1 3,-0.8 -3,-0.1 4,-0.3 -0.986 26.1-141.7-122.1 132.3 49.7 45.8 5.2 128 139 A W G > S+ 0 0 5 -2,-0.4 3,-1.8 1,-0.2 4,-0.5 0.769 91.6 78.9 -52.5 -35.6 48.5 47.1 8.6 129 140 A L G >> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 3,-1.3 0.821 87.3 54.4 -48.0 -42.8 47.9 43.5 9.8 130 141 A Y G <4 S+ 0 0 31 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.1 0.595 94.4 67.6 -76.5 -12.9 51.5 42.8 10.6 131 142 A D G <4 S+ 0 0 68 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.651 115.3 29.7 -74.5 -20.7 51.9 45.8 12.8 132 143 A Y T <4 S+ 0 0 9 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.1 0.703 133.6 31.0-102.1 -34.9 49.5 44.1 15.3 133 144 A F >X + 0 0 0 -4,-2.2 3,-1.4 1,-0.1 4,-0.6 -0.653 63.5 167.8-128.2 73.7 50.3 40.4 14.5 134 145 A P H >> S+ 0 0 39 0, 0.0 4,-2.4 0, 0.0 3,-0.5 0.774 70.4 71.6 -61.3 -30.5 54.1 40.2 13.5 135 146 A F H 3> S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.798 91.2 58.7 -54.0 -34.6 54.1 36.4 13.7 136 147 A L H <> S+ 0 0 7 -3,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.900 110.5 42.2 -62.8 -39.7 51.9 36.1 10.6 137 148 A W H < S+ 0 0 40 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.889 112.2 47.8 -66.2 -41.7 55.9 32.7 9.4 140 151 A A H >< S+ 0 0 16 -4,-1.5 3,-1.3 1,-0.2 -19,-0.3 0.879 105.3 59.6 -65.1 -38.6 55.2 33.7 5.8 141 152 A L H 3< S+ 0 0 62 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.661 90.0 72.4 -67.4 -17.0 58.8 34.9 5.4 142 153 A R T << S+ 0 0 184 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.809 84.9 83.5 -64.7 -30.8 60.2 31.4 6.3 143 154 A F S < S- 0 0 27 -3,-1.3 -22,-0.1 -4,-0.4 -50,-0.0 -0.313 91.6 -85.5 -78.7 158.2 59.0 30.1 2.9 144 155 A L - 0 0 48 1,-0.1 -1,-0.1 2,-0.1 -25,-0.1 -0.190 44.3 -96.1 -61.0 147.6 61.0 30.4 -0.3 145 156 A P >> - 0 0 38 0, 0.0 4,-2.0 0, 0.0 3,-0.6 -0.300 38.3-111.4 -56.6 149.2 61.1 33.3 -2.8 146 157 A L H 3> S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.836 117.3 56.0 -54.2 -39.6 58.6 33.0 -5.7 147 158 A D H 3> S+ 0 0 127 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.874 106.7 48.9 -62.3 -40.9 61.6 32.6 -8.2 148 159 A E H <> S+ 0 0 100 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.916 112.8 48.9 -63.0 -42.2 63.0 29.7 -6.2 149 160 A Q H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.932 112.6 46.9 -61.6 -49.8 59.6 28.0 -6.2 150 161 A I H X S+ 0 0 27 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.921 113.5 49.3 -56.9 -50.2 59.2 28.6 -10.0 151 162 A N H X S+ 0 0 77 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.897 110.2 49.4 -57.6 -46.1 62.7 27.2 -10.6 152 163 A L H X S+ 0 0 34 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.875 115.5 44.1 -64.3 -38.0 62.2 24.0 -8.5 153 164 A L H >X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.2 3,-0.6 0.963 114.3 49.1 -68.1 -51.3 58.9 23.3 -10.2 154 165 A Q H >X S+ 0 0 70 -4,-2.9 4,-1.9 1,-0.2 3,-0.7 0.864 110.3 51.1 -57.5 -43.0 60.3 24.0 -13.6 155 166 A E H 3< S+ 0 0 88 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.788 116.4 40.5 -61.7 -35.9 63.4 21.8 -13.0 156 167 A N H << S+ 0 0 15 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.309 120.9 41.8 -99.7 7.2 61.3 18.8 -11.9 157 168 A T H << S- 0 0 5 -3,-0.7 -2,-0.2 -4,-0.6 -3,-0.2 0.639 81.1-147.3-121.3 -33.1 58.5 19.2 -14.6 158 169 A K < + 0 0 169 -4,-1.9 2,-0.3 1,-0.3 -3,-0.1 0.907 66.9 105.7 55.1 42.0 60.3 20.1 -17.9 159 170 A R S S- 0 0 82 -5,-0.4 -1,-0.3 -6,-0.1 -2,-0.2 -0.936 86.7 -90.4-139.4 149.3 57.3 22.2 -18.9 160 171 A R E -G 246 0B 121 87,-0.9 86,-2.6 86,-0.6 2,-0.4 -0.470 41.4-148.5 -67.2 134.3 57.4 26.0 -18.9 161 172 A V E -G 245 0B 10 84,-0.2 2,-0.3 -2,-0.1 84,-0.2 -0.920 17.1-176.7-106.1 132.3 56.2 27.4 -15.5 162 173 A E E -G 244 0B 68 82,-2.9 82,-2.6 -2,-0.4 2,-0.3 -0.810 9.5-151.2-120.9 165.7 54.4 30.8 -15.3 163 174 A A E -G 243 0B 36 -2,-0.3 80,-0.2 80,-0.2 78,-0.0 -0.988 10.9-179.3-139.6 143.5 53.1 32.8 -12.4 164 175 A I E -G 242 0B 63 78,-2.1 78,-2.6 -2,-0.3 2,-0.2 -0.989 31.7-107.3-137.9 149.0 50.3 35.4 -11.9 165 176 A P E -G 241 0B 72 0, 0.0 2,-0.7 0, 0.0 76,-0.3 -0.522 15.3-153.2 -73.2 142.2 49.1 37.4 -9.0 166 177 A F - 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0 0 7 -2,-1.8 3,-2.1 20,-0.1 4,-0.5 -0.315 63.7 -68.7 -77.0 170.5 43.0 32.7 5.6 177 188 A A T 34 S+ 0 0 25 1,-0.3 3,-0.4 2,-0.1 -41,-0.1 0.733 130.2 21.6 -32.6 -63.3 45.7 35.0 7.3 178 189 A A T >4 S+ 0 0 0 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.305 94.7 101.3 -94.6 9.7 45.5 38.2 5.2 179 190 A A T <4 S+ 0 0 0 -3,-2.1 -7,-0.4 1,-0.3 3,-0.4 0.818 76.8 56.5 -67.5 -31.3 41.9 37.7 3.9 180 191 A A T >< + 0 0 2 -4,-0.5 3,-1.7 -3,-0.4 -1,-0.3 0.013 69.0 130.5 -89.6 31.6 40.3 40.1 6.5 181 192 A W T < S+ 0 0 0 -3,-1.2 -1,-0.2 1,-0.3 -53,-0.2 0.665 80.0 35.2 -55.7 -24.9 42.6 43.0 5.3 182 193 A R T 3 S+ 0 0 38 -3,-0.4 -1,-0.3 -12,-0.3 -2,-0.1 0.328 115.2 59.6-111.1 7.4 39.7 45.4 4.9 183 194 A R X + 0 0 56 -3,-1.7 3,-2.1 1,-0.1 4,-0.4 -0.577 60.2 168.8-133.2 64.8 37.7 44.0 7.9 184 195 A P G > S+ 0 0 8 0, 0.0 3,-1.2 0, 0.0 4,-0.3 0.759 71.4 65.4 -54.3 -34.0 40.1 44.5 10.9 185 196 A E G > S+ 0 0 97 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.737 85.8 72.1 -60.4 -27.2 37.4 43.7 13.4 186 197 A L G X S+ 0 0 24 -3,-2.1 3,-1.5 1,-0.3 6,-0.3 0.817 87.7 63.5 -59.8 -32.2 37.2 40.1 12.2 187 198 A Y G < S+ 0 0 0 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.694 91.4 65.1 -65.3 -22.3 40.7 39.4 13.8 188 199 A L G < S+ 0 0 56 -3,-1.4 2,-0.5 -4,-0.3 -1,-0.3 0.659 82.6 95.2 -71.9 -18.1 39.2 40.1 17.2 189 200 A K S X> S- 0 0 106 -3,-1.5 4,-2.0 -4,-0.4 3,-1.1 -0.687 70.6-146.5 -83.9 119.1 36.9 37.0 16.8 190 201 A A H 3> S+ 0 0 60 -2,-0.5 4,-2.1 1,-0.3 -1,-0.1 0.818 99.6 55.2 -46.0 -40.5 38.4 33.8 18.4 191 202 A E H 3> S+ 0 0 90 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.800 105.0 51.3 -68.3 -32.1 36.8 31.7 15.6 192 203 A V H X4 S+ 0 0 4 -3,-1.1 3,-0.7 -6,-0.3 -2,-0.2 0.940 113.0 45.7 -69.5 -46.3 38.5 33.7 12.8 193 204 A R H >< S+ 0 0 43 -4,-2.0 3,-1.6 1,-0.2 7,-0.4 0.840 105.2 63.0 -62.1 -34.1 41.8 33.2 14.6 194 205 A A H 3< S+ 0 0 84 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 100.6 52.6 -58.6 -34.4 41.0 29.5 15.1 195 206 A G T << S+ 0 0 19 -4,-1.0 2,-0.5 -3,-0.7 -1,-0.3 0.386 98.9 71.2 -82.5 0.2 40.9 29.1 11.2 196 207 A I S X> S- 0 0 8 -3,-1.6 3,-1.4 -4,-0.1 4,-0.8 -0.962 70.7-158.1-122.6 106.7 44.4 30.6 10.9 197 208 A S H 3> S+ 0 0 69 -2,-0.5 4,-2.3 1,-0.3 5,-0.2 0.770 84.6 70.2 -60.9 -31.6 47.1 28.2 12.2 198 209 A S H 3> S+ 0 0 22 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.820 95.3 56.1 -54.1 -35.4 49.7 30.9 12.9 199 210 A F H X4 S+ 0 0 5 -3,-1.4 3,-0.8 -6,-0.4 -1,-0.2 0.950 109.2 43.4 -63.4 -51.0 47.6 32.2 15.8 200 211 A A H 3< S+ 0 0 79 -4,-0.8 -2,-0.2 -7,-0.4 -1,-0.2 0.906 117.7 47.5 -62.0 -40.4 47.5 28.9 17.7 201 212 A L H 3< S+ 0 0 139 -4,-2.3 -1,-0.3 2,-0.1 -2,-0.2 0.621 98.5 90.7 -74.5 -15.6 51.2 28.3 17.0 202 213 A A S << S- 0 0 15 -4,-0.9 2,-0.3 -3,-0.8 -3,-0.0 -0.327 97.4 -84.6 -80.9 161.5 52.1 31.9 18.1 203 214 A N > - 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