==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 04-AUG-98 1BOI . COMPND 2 MOLECULE: RHODANESE; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR F.GLIUBICH,R.BERNI,M.CIANCI,R.J.TREVINO,P.M.HOROWITZ, . 286 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12919.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 63.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.1 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 21 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 64 22.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 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 0 1 0 2 1 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 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 0 PARALLEL BRIDGES PER LADDER . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A A 0 0 36 0, 0.0 117,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 3.9 29.7 9.0 6.2 2 9 A L E -a 118 0A 57 115,-0.2 2,-0.3 117,-0.1 117,-0.2 -0.966 360.0-171.5-133.7 137.7 29.2 7.6 9.7 3 10 A V E -a 119 0A 16 115,-2.5 117,-3.2 -2,-0.4 2,-0.2 -0.941 23.1-125.3-121.6 142.7 31.9 6.8 12.3 4 11 A S E > -a 120 0A 55 -2,-0.3 4,-2.3 115,-0.2 5,-0.2 -0.526 18.0-119.1 -89.9 162.5 31.1 4.9 15.6 5 12 A T H > S+ 0 0 7 115,-0.5 4,-2.9 2,-0.2 5,-0.2 0.877 117.1 56.4 -57.5 -37.4 32.0 6.1 19.2 6 13 A K H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.956 107.8 45.4 -60.5 -51.7 34.1 3.0 19.4 7 14 A W H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 115.3 47.3 -59.9 -45.3 36.2 3.8 16.4 8 15 A L H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.911 110.5 52.2 -69.1 -38.2 36.6 7.5 17.5 9 16 A A H X S+ 0 0 7 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.918 110.0 48.3 -65.8 -40.8 37.6 6.4 21.1 10 17 A E H X S+ 0 0 77 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.922 112.1 49.8 -64.0 -41.6 40.3 4.0 19.8 11 18 A S H <>S+ 0 0 3 -4,-2.1 5,-2.8 -5,-0.2 6,-0.4 0.908 111.0 48.8 -67.2 -37.1 41.6 6.7 17.5 12 19 A V H ><5S+ 0 0 23 -4,-2.5 3,-1.9 3,-0.2 -2,-0.2 0.976 112.6 48.8 -63.9 -48.4 41.7 9.2 20.4 13 20 A R H 3<5S+ 0 0 194 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.884 110.2 49.9 -58.8 -42.9 43.5 6.7 22.7 14 21 A A T 3<5S- 0 0 73 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.468 115.7-116.8 -75.9 -0.9 46.1 5.9 20.0 15 22 A G T < 5 + 0 0 60 -3,-1.9 -3,-0.2 -4,-0.4 -2,-0.1 0.853 67.3 142.4 71.0 38.0 46.8 9.6 19.5 16 23 A K < + 0 0 128 -5,-2.8 4,-0.2 -6,-0.2 2,-0.2 0.633 34.6 99.5 -87.9 -8.5 45.6 9.7 15.9 17 24 A V + 0 0 36 -6,-0.4 5,-0.2 -5,-0.2 31,-0.0 -0.550 53.4 82.7 -84.3 144.3 43.9 13.1 15.9 18 25 A G B > S-B 21 0A 11 3,-2.3 3,-2.0 -2,-0.2 -2,-0.0 -0.948 99.4 -15.0 155.8-150.4 45.9 15.8 14.5 19 26 A P T 3 S+ 0 0 79 0, 0.0 64,-0.5 0, 0.0 3,-0.2 0.745 137.6 43.4 -57.0 -28.9 46.5 16.9 10.8 20 27 A G T 3 S+ 0 0 50 1,-0.3 67,-2.1 -4,-0.2 2,-0.3 0.616 123.9 32.1 -92.3 -11.6 45.1 13.7 9.3 21 28 A L E < +Bc 18 87A 11 -3,-2.0 -3,-2.3 65,-0.2 2,-0.4 -0.898 68.0 178.7-148.1 111.1 42.1 13.4 11.6 22 29 A R E - c 0 88A 24 65,-2.4 67,-2.4 -2,-0.3 2,-0.4 -0.913 12.6-154.1-117.5 144.2 40.3 16.5 13.0 23 30 A V E - c 0 89A 2 -2,-0.4 26,-2.6 24,-0.4 2,-0.4 -0.956 10.3-164.3-121.4 136.6 37.2 16.3 15.2 24 31 A L E -dc 49 90A 1 65,-2.8 67,-2.3 -2,-0.4 2,-0.7 -0.955 18.9-147.6-127.5 135.9 34.6 19.1 15.5 25 32 A D E +dc 50 91A 9 24,-2.7 26,-3.1 -2,-0.4 67,-0.2 -0.921 19.9 179.7 -94.3 117.5 31.9 19.9 17.9 26 33 A A + 0 0 0 65,-3.3 66,-0.2 -2,-0.7 27,-0.1 0.065 23.1 150.7-107.6 23.6 29.3 21.6 15.7 27 34 A S + 0 0 6 64,-0.2 26,-0.3 9,-0.1 2,-0.3 -0.224 12.1 162.0 -60.8 141.8 26.7 22.2 18.5 28 35 A W - 0 0 41 8,-0.1 2,-0.3 24,-0.1 72,-0.2 -0.931 11.0-174.6-151.5 147.1 24.2 25.1 18.4 29 36 A Y - 0 0 23 -2,-0.3 7,-0.2 5,-0.2 3,-0.1 -0.963 33.4 -83.5-143.2 154.1 21.0 25.5 20.4 30 37 A S > - 0 0 55 -2,-0.3 3,-2.6 1,-0.2 -2,-0.0 -0.204 60.2 -79.1 -54.7 145.3 18.1 28.1 20.5 31 38 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.217 119.0 17.2 -38.0 112.0 18.3 31.3 22.5 32 39 A G T 3 S+ 0 0 84 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.388 108.8 79.6 98.9 -6.6 17.6 30.4 26.1 33 40 A T S < S- 0 0 89 -3,-2.6 -1,-0.3 1,-0.4 -4,-0.1 0.096 101.1 -16.5 -97.0-125.5 18.2 26.7 26.1 34 41 A R - 0 0 69 -3,-0.1 2,-0.8 1,-0.1 -1,-0.4 -0.296 59.0-129.5 -73.5 150.8 21.8 25.4 26.2 35 42 A E > - 0 0 124 1,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.845 22.2-167.6 -99.4 104.3 25.0 27.6 25.4 36 43 A A H > S+ 0 0 11 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.884 81.1 50.4 -61.8 -45.5 27.0 25.5 22.9 37 44 A R H > S+ 0 0 147 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.920 114.2 45.5 -62.4 -43.9 30.2 27.5 22.9 38 45 A K H > S+ 0 0 88 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.920 110.5 53.0 -65.7 -45.0 30.4 27.4 26.7 39 46 A E H X S+ 0 0 63 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.895 108.8 51.7 -59.5 -37.1 29.5 23.7 26.9 40 47 A Y H < S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.933 104.6 54.8 -59.6 -53.6 32.3 23.0 24.5 41 48 A L H < S+ 0 0 83 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.783 113.7 44.7 -52.5 -29.4 34.9 24.9 26.6 42 49 A E H < S+ 0 0 99 -4,-1.4 2,-0.3 1,-0.3 -1,-0.2 0.829 127.2 6.6 -90.7 -35.8 34.0 22.8 29.5 43 50 A R S < S+ 0 0 117 -4,-1.9 -1,-0.3 -3,-0.2 2,-0.3 -0.940 70.0 145.6-150.4 127.2 33.8 19.2 28.1 44 51 A H B -F 134 0B 1 90,-1.4 90,-1.9 -2,-0.3 92,-0.1 -0.969 57.8 -83.4-151.7 161.4 34.8 17.9 24.6 45 52 A V > - 0 0 0 -2,-0.3 3,-1.9 88,-0.2 88,-0.2 -0.470 69.2 -89.4 -67.0 143.3 36.3 14.8 23.1 46 53 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.345 113.7 16.2 -57.1 127.8 40.1 15.2 23.6 47 54 A G T 3 S+ 0 0 29 1,-0.3 -24,-0.4 89,-0.3 2,-0.1 0.165 93.4 135.0 95.9 -17.9 41.6 17.1 20.5 48 55 A A < - 0 0 0 -3,-1.9 -1,-0.3 -26,-0.1 -24,-0.2 -0.417 40.6-153.8 -68.8 141.4 38.2 18.3 19.2 49 56 A S E -d 24 0A 12 -26,-2.6 -24,-2.7 -3,-0.1 2,-0.5 -0.655 21.8-111.8-105.5 165.0 37.8 22.0 18.1 50 57 A F E -d 25 0A 25 -2,-0.2 2,-0.6 -26,-0.2 -24,-0.2 -0.848 19.7-153.0-102.5 133.7 34.5 23.9 18.1 51 58 A F - 0 0 0 -26,-3.1 2,-0.8 -2,-0.5 3,-0.1 -0.946 13.6-147.4-105.7 115.7 32.9 24.8 14.8 52 59 A D >> - 0 0 27 -2,-0.6 4,-3.0 1,-0.2 3,-1.2 -0.771 14.0-170.2 -95.5 108.8 30.8 27.9 15.3 53 60 A I T 34 S+ 0 0 7 -2,-0.8 -1,-0.2 -26,-0.3 -25,-0.1 0.779 88.6 59.8 -63.3 -30.6 27.8 27.9 13.0 54 61 A E T 34 S+ 0 0 100 1,-0.1 -1,-0.3 -3,-0.1 3,-0.2 0.723 113.9 35.5 -72.4 -23.3 27.2 31.5 14.0 55 62 A E T <4 S+ 0 0 100 -3,-1.2 2,-2.4 1,-0.2 4,-0.2 0.833 108.0 61.0 -95.2 -47.1 30.5 32.6 12.7 56 63 A C S < S+ 0 0 6 -4,-3.0 2,-0.3 2,-0.1 -1,-0.2 -0.425 93.5 81.3 -85.3 69.4 31.1 30.4 9.6 57 64 A R S S- 0 0 67 -2,-2.4 2,-1.3 -3,-0.2 10,-0.2 -0.920 96.8 -77.0-153.5 177.3 28.0 31.7 7.7 58 65 A D > - 0 0 68 8,-2.1 3,-1.1 -2,-0.3 8,-0.3 -0.722 44.1-173.8 -88.4 101.6 27.1 34.7 5.6 59 66 A K T 3 S+ 0 0 108 -2,-1.3 -1,-0.2 1,-0.2 -3,-0.0 0.691 77.6 57.6 -65.4 -21.6 26.6 37.3 8.3 60 67 A A T 3 S+ 0 0 93 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.614 83.5 104.1 -89.4 -9.9 25.3 40.0 5.9 61 68 A S < - 0 0 28 -3,-1.1 4,-0.1 1,-0.1 5,-0.1 -0.427 67.4-144.9 -67.3 141.3 22.5 37.8 4.7 62 69 A P S S+ 0 0 98 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.589 79.4 80.4 -74.4 -8.2 19.0 38.6 6.0 63 70 A Y S > S- 0 0 46 -5,-0.1 3,-0.5 1,-0.1 2,-0.2 -0.521 92.5 -83.8-105.6 169.1 18.2 34.9 6.0 64 71 A E T 3 S- 0 0 36 202,-0.3 206,-0.1 1,-0.2 -1,-0.1 -0.497 89.1 -23.9 -87.0 141.5 19.2 32.2 8.5 65 72 A V T 3 S+ 0 0 14 -2,-0.2 -1,-0.2 1,-0.1 2,-0.2 0.809 77.1 179.2 26.6 69.7 22.5 30.4 8.5 66 73 A M < - 0 0 27 -3,-0.5 -8,-2.1 -8,-0.3 -1,-0.1 -0.575 35.9 -89.5 -87.6 150.9 23.4 30.8 4.9 67 74 A L - 0 0 19 -10,-0.2 -10,-0.2 -2,-0.2 -1,-0.1 -0.268 39.4-127.2 -54.6 141.7 26.7 29.4 3.5 68 75 A P - 0 0 16 0, 0.0 -10,-0.2 0, 0.0 -1,-0.1 -0.263 38.9 -81.8 -74.4 174.7 29.8 31.7 3.7 69 76 A S > - 0 0 75 -12,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.336 45.4-103.5 -65.7 169.6 31.9 32.4 0.5 70 77 A E H > S+ 0 0 85 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.921 125.1 49.3 -63.0 -41.3 34.5 29.8 -0.5 71 78 A A H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.915 108.9 51.7 -64.0 -47.1 37.2 32.0 0.9 72 79 A G H > S+ 0 0 31 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.909 113.9 43.8 -56.6 -45.2 35.4 32.6 4.2 73 80 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.951 112.7 53.2 -64.3 -46.7 34.9 28.8 4.7 74 81 A A H X S+ 0 0 14 -4,-2.8 4,-2.6 -5,-0.2 71,-0.2 0.917 110.3 46.4 -54.9 -44.5 38.6 28.1 3.7 75 82 A D H X S+ 0 0 123 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.958 113.5 47.3 -69.1 -47.0 40.0 30.5 6.2 76 83 A Y H X S+ 0 0 51 -4,-1.9 4,-0.8 -5,-0.2 -2,-0.2 0.961 116.5 42.5 -59.0 -49.8 37.9 29.3 9.1 77 84 A V H ><>S+ 0 0 0 -4,-2.7 5,-1.7 1,-0.2 3,-0.9 0.911 110.8 56.7 -68.3 -39.0 38.6 25.6 8.4 78 85 A G H ><5S+ 0 0 4 -4,-2.6 3,-2.2 -5,-0.3 65,-1.9 0.925 103.0 55.5 -55.5 -43.8 42.3 26.3 7.8 79 86 A S H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.738 101.2 58.1 -67.7 -16.8 42.6 27.9 11.2 80 87 A L T <<5S- 0 0 22 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.304 123.4-106.1 -92.2 10.3 41.2 24.7 12.8 81 88 A G T < 5S+ 0 0 1 -3,-2.2 2,-0.5 1,-0.2 -3,-0.2 0.763 72.7 143.1 73.3 28.1 44.1 22.8 11.3 82 89 A I < + 0 0 0 -5,-1.7 -1,-0.2 61,-0.2 2,-0.2 -0.873 23.4 178.9-101.0 125.9 42.0 21.1 8.6 83 90 A S > - 0 0 32 -2,-0.5 3,-1.4 -64,-0.5 62,-0.2 -0.638 47.0 -94.3-112.0-175.9 43.6 20.6 5.2 84 91 A N T 3 S+ 0 0 59 60,-0.7 31,-0.2 1,-0.3 61,-0.1 0.731 126.1 52.3 -70.4 -18.5 42.3 18.9 2.0 85 92 A D T 3 S+ 0 0 147 -66,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.469 87.9 108.2 -94.4 -4.7 43.9 15.7 3.0 86 93 A T < - 0 0 1 -3,-1.4 2,-0.6 -65,-0.1 -65,-0.2 -0.514 65.4-138.1 -75.9 134.6 42.3 15.7 6.5 87 94 A H E -c 21 0A 48 -67,-2.1 -65,-2.4 -2,-0.3 2,-0.4 -0.815 27.4-156.6 -82.8 124.9 39.5 13.2 7.5 88 95 A V E -ce 22 116A 0 27,-2.3 29,-2.3 -2,-0.6 2,-0.5 -0.853 9.8-165.6-106.9 136.5 37.0 15.5 9.5 89 96 A V E -ce 23 117A 0 -67,-2.4 -65,-2.8 -2,-0.4 2,-0.4 -0.992 8.6-165.9-123.4 130.7 34.6 13.9 12.0 90 97 A V E +ce 24 118A 0 27,-2.7 29,-2.4 -2,-0.5 2,-0.3 -0.908 14.0 162.5-122.2 139.9 31.8 16.1 13.3 91 98 A Y E -c 25 0A 1 -67,-2.3 -65,-3.3 -2,-0.4 2,-0.3 -0.937 15.8-161.2-139.4 167.5 29.5 15.6 16.3 92 99 A D - 0 0 2 5,-0.4 31,-2.1 -2,-0.3 32,-0.4 -0.929 25.3-123.2-142.5 169.1 27.2 17.8 18.3 93 100 A G + 0 0 9 -2,-0.3 2,-0.1 30,-0.2 5,-0.1 -0.027 53.5 144.9-108.7 35.9 25.7 17.2 21.8 94 101 A D > - 0 0 26 1,-0.1 3,-2.0 3,-0.1 30,-0.3 -0.443 59.2-119.7 -73.3 148.1 22.0 17.4 21.1 95 102 A D T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.1 4,-0.0 0.725 112.1 60.6 -55.4 -27.9 19.6 15.2 23.1 96 103 A L T 3 S- 0 0 65 1,-0.1 -1,-0.3 117,-0.0 114,-0.1 0.675 115.4-112.9 -76.0 -18.1 18.4 13.6 19.9 97 104 A G S < S+ 0 0 2 -3,-2.0 -5,-0.4 112,-0.1 2,-0.3 -0.094 93.7 27.4 111.0 -34.0 21.9 12.3 19.0 98 105 A S + 0 0 10 24,-0.1 111,-0.0 -5,-0.1 -5,-0.0 -0.896 57.7 136.2-160.8 121.6 22.4 14.5 16.0 99 106 A F S S+ 0 0 54 -2,-0.3 4,-0.4 -4,-0.0 149,-0.1 0.395 86.4 16.3-130.9 -68.8 20.9 17.9 15.1 100 107 A Y S >> S+ 0 0 8 -72,-0.2 4,-1.5 1,-0.2 3,-0.9 0.767 105.2 83.7 -79.9 -16.6 23.6 20.4 13.6 101 108 A A H 3> S+ 0 0 1 1,-0.3 4,-1.9 2,-0.2 3,-0.2 0.837 88.3 52.4 -61.1 -39.8 26.3 17.8 12.8 102 109 A P H 3> S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.3 0.830 104.6 58.0 -61.8 -32.0 24.7 16.8 9.3 103 110 A R H <> S+ 0 0 1 -3,-0.9 4,-2.6 -4,-0.4 -2,-0.2 0.941 108.9 44.3 -62.5 -43.4 24.7 20.5 8.3 104 111 A V H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.915 110.6 53.2 -70.9 -40.9 28.5 20.7 8.9 105 112 A W H X S+ 0 0 3 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.942 113.0 45.9 -55.8 -45.1 29.2 17.3 7.0 106 113 A W H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.932 107.4 58.0 -66.2 -42.6 27.2 18.8 4.1 107 114 A M H X S+ 0 0 1 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.894 106.3 48.2 -53.7 -43.1 29.0 22.1 4.4 108 115 A F H <>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 3,-0.3 0.927 115.1 45.4 -64.6 -41.4 32.4 20.4 3.9 109 116 A R H ><5S+ 0 0 25 -4,-1.7 3,-2.1 3,-0.2 -2,-0.2 0.886 107.5 55.2 -71.2 -39.0 31.0 18.4 0.9 110 117 A V H 3<5S+ 0 0 0 -4,-3.2 40,-2.8 1,-0.3 -1,-0.2 0.677 109.6 50.9 -69.6 -16.0 29.3 21.5 -0.8 111 118 A F T 3<5S- 0 0 2 -4,-1.0 37,-1.8 -3,-0.3 -1,-0.3 0.153 130.1 -98.9-102.1 21.1 32.8 23.1 -0.6 112 119 A G T < 5S+ 0 0 41 -3,-2.1 2,-0.8 1,-0.2 -3,-0.2 0.505 81.2 129.4 87.2 4.6 34.4 20.0 -2.2 113 120 A H < + 0 0 4 -5,-3.1 -1,-0.2 -6,-0.2 -2,-0.2 -0.822 26.6 176.0 -94.2 114.1 35.8 18.0 0.7 114 121 A R + 0 0 186 -2,-0.8 2,-1.8 1,-0.2 -1,-0.2 0.790 59.6 81.9 -86.7 -27.2 34.6 14.4 0.5 115 122 A T + 0 0 52 -31,-0.2 -27,-2.3 -29,-0.1 2,-0.3 -0.492 65.0 116.4 -84.1 77.9 36.5 12.9 3.6 116 123 A V E - 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0 0 9 -5,-2.8 2,-0.7 -6,-0.2 -1,-0.2 -0.839 36.4-143.1 -94.2 116.8 10.5 9.3 -2.8 231 238 A D > - 0 0 68 -2,-0.7 3,-1.3 1,-0.1 -61,-0.1 -0.731 9.1-160.3 -87.0 116.0 12.5 7.8 -5.6 232 239 A L T 3 S+ 0 0 39 -2,-0.7 -1,-0.1 1,-0.3 4,-0.1 0.403 87.2 63.5 -78.9 2.2 16.2 7.8 -4.9 233 240 A T T 3 S+ 0 0 114 2,-0.1 -1,-0.3 25,-0.1 3,-0.0 0.480 97.2 70.4 -97.7 -3.3 17.2 7.4 -8.5 234 241 A K S < S- 0 0 113 -3,-1.3 -65,-0.1 1,-0.1 -64,-0.0 -0.769 101.0 -80.0-110.1 154.5 15.7 10.8 -9.4 235 242 A P - 0 0 60 0, 0.0 -65,-2.4 0, 0.0 2,-0.3 -0.175 51.0-174.2 -44.1 142.2 16.9 14.3 -8.5 236 243 A L E -h 170 0C 1 24,-0.4 26,-1.9 -67,-0.3 2,-0.4 -0.986 14.8-165.2-155.6 129.3 15.9 15.4 -4.9 237 244 A I E -hj 171 262C 5 -67,-2.9 -65,-2.7 -2,-0.3 2,-0.4 -0.915 12.7-150.1-112.9 139.6 16.3 18.7 -3.0 238 245 A A E +hj 172 263C 0 24,-2.3 26,-2.7 -2,-0.4 2,-0.3 -0.918 20.9 172.2-112.4 141.3 15.8 18.7 0.8 239 246 A T E +h 173 0C 1 -67,-2.4 -65,-2.3 -2,-0.4 -64,-0.3 -0.927 8.1 152.0-140.2 160.2 14.5 21.9 2.5 240 247 A C - 0 0 7 24,-0.4 28,-2.8 -2,-0.3 29,-0.1 -0.605 65.6 -49.8-158.7-133.9 13.4 22.8 6.0 241 248 A R S S- 0 0 4 26,-0.2 28,-2.4 -2,-0.2 29,-0.3 0.932 126.9 -7.8 -82.2 -46.6 13.3 26.1 8.1 242 249 A K S S- 0 0 27 26,-0.2 25,-0.1 25,-0.1 -1,-0.1 0.098 104.2 -85.7-141.2 25.2 16.9 27.3 7.5 243 250 A G S S+ 0 0 0 21,-0.2 4,-0.3 -177,-0.0 23,-0.1 0.530 101.8 99.2 84.2 6.1 18.9 24.5 5.6 244 251 A V S > S+ 0 0 1 2,-0.1 3,-1.5 21,-0.1 4,-0.3 0.944 82.9 31.7 -95.3 -64.8 19.9 22.6 8.8 245 252 A T T > S+ 0 0 7 1,-0.3 3,-2.1 2,-0.2 4,-0.5 0.799 107.0 75.9 -66.8 -16.6 17.7 19.5 9.5 246 253 A A T >> S+ 0 0 0 1,-0.3 3,-1.6 2,-0.2 4,-1.3 0.860 83.3 66.2 -56.3 -34.2 17.4 19.2 5.7 247 254 A C H <> S+ 0 0 0 -3,-1.5 4,-2.7 1,-0.3 -1,-0.3 0.715 86.6 69.3 -66.0 -14.7 20.9 17.8 5.7 248 255 A H H <> S+ 0 0 0 -3,-2.1 4,-2.4 -4,-0.3 -1,-0.3 0.794 98.9 49.3 -74.2 -25.7 19.6 14.8 7.6 249 256 A I H <> S+ 0 0 0 -3,-1.6 4,-3.0 -4,-0.5 5,-0.3 0.909 110.4 50.2 -74.9 -41.6 17.7 13.8 4.4 250 257 A A H X S+ 0 0 4 -4,-1.3 4,-2.5 2,-0.2 -2,-0.2 0.953 114.3 45.6 -57.6 -44.7 21.0 14.2 2.4 251 258 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.951 113.7 47.0 -65.3 -49.7 22.8 12.1 5.0 252 259 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.944 114.7 46.9 -59.2 -47.4 20.1 9.4 5.1 253 260 A A H <>S+ 0 0 0 -4,-3.0 5,-2.5 1,-0.2 4,-0.5 0.904 108.4 56.9 -60.8 -35.8 20.0 9.3 1.3 254 261 A Y H ><5S+ 0 0 64 -4,-2.5 3,-1.5 -5,-0.3 -1,-0.2 0.921 104.9 50.9 -63.0 -43.6 23.8 9.2 1.2 255 262 A L H 3<5S+ 0 0 42 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.751 108.1 53.0 -67.1 -24.8 23.7 6.0 3.4 256 263 A C T 3<5S- 0 0 38 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.492 130.1 -97.2 -85.3 -4.4 21.2 4.5 0.9 257 264 A G T < 5S+ 0 0 59 -3,-1.5 -3,-0.2 -4,-0.5 -2,-0.1 0.362 88.9 117.8 110.7 -3.9 23.7 5.2 -1.9 258 265 A K < + 0 0 16 -5,-2.5 3,-0.4 -6,-0.1 -1,-0.2 -0.819 34.7 178.5 -98.7 106.8 22.4 8.5 -3.4 259 266 A P + 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.444 63.3 66.2 -89.4 2.0 25.3 11.0 -2.9 260 267 A D + 0 0 85 -7,-0.1 -24,-0.4 2,-0.1 2,-0.4 -0.144 50.5 144.6-123.4 39.8 23.8 14.1 -4.5 261 268 A V - 0 0 2 -3,-0.4 2,-0.3 -11,-0.2 -24,-0.2 -0.659 42.9-143.0 -71.8 131.3 20.8 15.3 -2.6 262 269 A A E - j 0 237C 2 -26,-1.9 -24,-2.3 -2,-0.4 2,-0.5 -0.725 6.5-135.4 -92.7 152.7 21.0 19.1 -2.9 263 270 A I E -gj 154 238C 0 -110,-1.9 -108,-2.2 -2,-0.3 2,-1.2 -0.922 5.5-139.5-110.7 129.6 20.0 21.4 -0.0 264 271 A Y E -g 155 0C 0 -26,-2.7 -24,-0.4 -2,-0.5 -21,-0.2 -0.781 23.7-170.0 -83.0 102.3 17.9 24.5 -0.4 265 272 A D S S+ 0 0 6 -2,-1.2 -1,-0.2 -110,-0.9 5,-0.1 0.906 79.2 53.5 -68.6 -40.2 19.9 26.6 2.0 266 273 A G S > S+ 0 0 1 -111,-0.4 4,-1.8 -3,-0.1 3,-0.3 0.900 86.9 164.2 -60.0 -39.7 17.4 29.6 2.2 267 274 A S H > - 0 0 0 1,-0.2 4,-2.6 2,-0.2 -26,-0.2 -0.029 58.7 -25.6 55.5-155.2 14.6 27.1 3.1 268 275 A W H > S+ 0 0 0 -28,-2.8 4,-3.0 1,-0.2 5,-0.3 0.895 135.2 58.2 -60.0 -41.2 11.3 28.2 4.5 269 276 A F H > S+ 0 0 31 -28,-2.4 4,-1.3 -3,-0.3 -1,-0.2 0.939 114.2 36.1 -58.3 -50.0 12.7 31.4 6.1 270 277 A E H >X S+ 0 0 12 -4,-1.8 4,-1.8 -29,-0.3 3,-0.8 0.989 116.6 54.8 -63.0 -54.0 13.9 32.8 2.7 271 278 A W H 3X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.3 3,-0.4 0.846 106.9 49.5 -48.9 -49.4 11.0 31.4 0.8 272 279 A F H 3< S+ 0 0 44 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.842 115.0 44.7 -62.1 -35.6 8.3 33.0 3.0 273 280 A H H << S+ 0 0 98 -4,-1.3 -1,-0.2 -3,-0.8 -2,-0.2 0.722 127.6 26.5 -81.9 -19.6 10.1 36.4 2.7 274 281 A R H < S+ 0 0 98 -4,-1.8 -2,-0.2 -3,-0.4 -3,-0.2 0.760 98.0 88.2-114.4 -28.7 10.7 36.2 -1.1 275 282 A A S < S- 0 0 11 -4,-3.4 5,-0.1 -5,-0.3 -118,-0.0 -0.359 81.5-101.2 -82.2 153.6 8.1 34.0 -2.8 276 283 A P > - 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