==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 10-MAY-12 4F48 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR K.-H.CHIN,Y.-T.LIAO,S.-H.CHOU . 338 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17637.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 12.7 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 . 0 0.0 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 . 23 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 30.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.1 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 0 1 2 2 0 1 0 1 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 3 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 . 1 3 1 1 1 1 0 1 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 0 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 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 7 A R > 0 0 232 0, 0.0 4,-0.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-130.0 29.7 31.0 46.3 2 8 A W H >> + 0 0 197 1,-0.2 4,-2.3 2,-0.2 3,-1.1 0.947 360.0 65.3 -66.2 -48.4 31.7 34.1 45.2 3 9 A V H 3> S+ 0 0 74 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.813 99.5 49.1 -40.6 -49.3 32.6 32.3 41.9 4 10 A E H 3> S+ 0 0 132 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.852 114.0 46.3 -65.7 -33.4 29.0 32.1 40.7 5 11 A Q H X S+ 0 0 125 -4,-2.3 3,-1.1 2,-0.2 4,-0.6 0.950 103.1 56.1 -71.8 -50.8 31.8 36.6 39.8 7 13 A R H >< S+ 0 0 147 -4,-3.0 3,-0.8 1,-0.3 -1,-0.2 0.821 103.7 59.2 -51.2 -29.4 31.0 34.7 36.6 8 14 A E H 3< S+ 0 0 145 -4,-0.7 -1,-0.3 1,-0.2 -2,-0.2 0.900 89.5 69.9 -65.5 -42.5 27.9 37.0 36.5 9 15 A A H << + 0 0 68 -3,-1.1 2,-5.3 -4,-1.0 -1,-0.2 0.673 63.3 105.1 -50.4 -24.9 30.1 40.2 36.4 10 16 A L << - 0 0 144 -3,-0.8 -1,-0.2 -4,-0.6 2,-0.1 -0.206 64.5-179.9 -59.3 62.7 31.1 39.3 32.8 11 17 A I - 0 0 139 -2,-5.3 -2,-0.1 1,-0.1 2,-0.1 -0.407 14.6-161.1 -75.7 141.6 28.7 42.1 31.8 12 18 A G - 0 0 67 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 -0.138 32.8 -59.3-104.7-159.5 28.0 43.2 28.3 13 19 A D + 0 0 82 -2,-0.1 2,-0.3 26,-0.0 -1,-0.2 -0.500 67.0 112.1 -88.1 157.9 26.6 46.3 26.6 14 20 A G + 0 0 26 -2,-0.2 26,-2.1 1,-0.1 -1,-0.0 -0.892 66.8 4.1 174.7-147.3 23.2 47.7 27.1 15 21 A F E +A 39 0A 65 -2,-0.3 2,-0.3 24,-0.2 24,-0.2 -0.230 64.1 158.4 -61.5 147.8 21.8 50.9 28.6 16 22 A L E -A 38 0A 34 22,-1.5 22,-1.7 20,-0.1 2,-0.4 -0.884 32.6-107.3-153.3-178.2 24.3 53.5 29.8 17 23 A L E -A 37 0A 10 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.975 18.0-169.7-131.4 135.4 24.3 57.3 30.5 18 24 A H E -A 36 0A 32 18,-2.1 18,-2.3 -2,-0.4 2,-0.4 -0.723 21.6-139.5-108.3 165.0 25.8 60.3 28.9 19 25 A Y E -AB 35 238A 5 219,-3.8 219,-1.7 -2,-0.3 16,-0.2 -0.971 13.8-158.3-135.6 145.0 25.8 63.7 30.5 20 26 A Q E -A 34 0A 15 14,-2.2 14,-1.9 -2,-0.4 217,-0.2 -0.969 26.1-131.2-117.8 120.1 25.2 67.4 29.7 21 27 A P E -A 33 0A 33 0, 0.0 2,-0.5 0, 0.0 210,-0.4 -0.398 15.0-147.1 -67.5 143.7 26.8 70.0 32.0 22 28 A V E -A 32 0A 9 10,-3.4 10,-0.5 8,-0.1 208,-0.2 -0.968 20.5-148.1-112.6 125.3 24.4 72.8 33.1 23 29 A L E -C 229 0A 86 206,-2.5 206,-1.5 -2,-0.5 4,-0.1 -0.450 10.8-101.2 -97.1 169.9 26.1 76.1 33.6 24 30 A N E +C 228 0A 47 204,-0.2 204,-0.2 -2,-0.1 -1,-0.1 -0.275 44.2 142.5 -78.0 163.3 25.7 79.2 35.8 25 31 A L S S- 0 0 31 202,-0.6 202,-0.2 2,-0.2 -1,-0.1 -0.227 87.3 -12.7-161.7 -96.3 24.2 82.5 35.0 26 32 A Q S S+ 0 0 89 200,-1.8 201,-0.2 -2,-0.1 202,-0.1 0.793 119.9 85.9 -88.4 -30.5 22.1 84.2 37.7 27 33 A G S S- 0 0 14 200,-0.9 -2,-0.2 199,-0.3 -3,-0.0 0.167 90.1 -78.3 -66.9 179.6 22.0 81.1 39.9 28 34 A E - 0 0 144 1,-0.1 -1,-0.1 -4,-0.1 -2,-0.1 -0.566 51.6-106.9 -80.0 139.6 24.3 79.5 42.4 29 35 A P + 0 0 80 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.391 55.5 145.5 -66.5 144.8 27.3 77.6 41.2 30 36 A L - 0 0 50 -8,-0.2 2,-0.8 2,-0.1 -8,-0.1 -0.807 57.9 -96.8 179.7 139.1 27.1 73.8 41.4 31 37 A E + 0 0 59 54,-0.4 56,-2.4 -2,-0.2 2,-0.4 -0.489 57.2 167.2 -64.1 102.7 28.1 70.7 39.6 32 38 A L E +Ad 22 87A 5 -2,-0.8 -10,-3.4 -10,-0.5 2,-0.3 -0.989 10.2 170.4-131.0 130.2 25.0 70.0 37.6 33 39 A Y E -Ad 21 88A 25 54,-2.0 56,-2.4 -2,-0.4 2,-0.5 -0.905 27.5-133.5-131.0 157.6 24.5 67.6 34.7 34 40 A Q E -Ad 20 89A 3 -14,-1.9 -14,-2.2 -2,-0.3 2,-0.4 -0.969 23.7-139.2-113.8 130.1 21.5 66.2 32.8 35 41 A A E -Ad 19 90A 6 54,-2.3 56,-0.5 -2,-0.5 2,-0.5 -0.740 15.3-166.4 -91.3 133.5 21.6 62.5 32.2 36 42 A F E -A 18 0A 43 -18,-2.3 -18,-2.1 -2,-0.4 -20,-0.1 -0.980 20.7-124.5-121.2 126.9 20.5 61.2 28.9 37 43 A L E +A 17 0A 16 -2,-0.5 2,-0.3 -20,-0.2 -20,-0.2 -0.345 34.2 174.8 -68.6 147.9 19.7 57.5 28.4 38 44 A R E -A 16 0A 18 -22,-1.7 -22,-1.5 9,-0.1 2,-0.4 -0.937 23.4-140.5-146.9 167.0 21.6 55.6 25.7 39 45 A L E -AE 15 46A 35 7,-1.2 7,-1.1 -2,-0.3 2,-0.3 -0.952 12.1-162.6-138.3 116.2 21.9 52.0 24.4 40 46 A E E + E 0 45A 85 -26,-2.1 2,-0.3 -2,-0.4 5,-0.2 -0.755 14.6 170.2 -97.0 143.5 25.2 50.5 23.2 41 47 A R E > - E 0 44A 105 3,-2.2 3,-3.0 -2,-0.3 -2,-0.0 -0.842 64.1 -39.4-158.9 117.9 25.2 47.4 21.1 42 48 A N T 3 S- 0 0 132 1,-0.3 267,-0.2 -2,-0.3 3,-0.1 0.759 127.2 -35.5 31.0 48.7 28.0 45.7 19.2 43 49 A G T 3 S+ 0 0 40 1,-0.3 -1,-0.3 263,-0.1 2,-0.2 -0.080 117.3 103.9 105.4 -34.8 29.5 49.1 18.2 44 50 A E E < -E 41 0A 28 -3,-3.0 -3,-2.2 262,-0.1 2,-0.3 -0.581 52.3-153.1 -91.1 148.8 26.3 51.1 17.7 45 51 A M E -EF 40 305A 34 260,-1.1 260,-1.7 -2,-0.2 2,-0.4 -0.854 10.5-160.2-113.5 149.2 24.8 53.7 19.9 46 52 A M E -EF 39 304A 12 -7,-1.1 -7,-1.2 -2,-0.3 258,-0.2 -0.992 15.2-139.9-139.3 140.1 21.2 54.7 20.2 47 53 A S > - 0 0 12 256,-2.0 3,-1.8 -2,-0.4 4,-0.4 -0.584 37.0-113.3 -84.2 150.2 19.1 57.6 21.4 48 54 A P G >> S+ 0 0 27 0, 0.0 3,-2.5 0, 0.0 4,-2.5 0.856 113.5 74.6 -55.0 -30.2 16.0 56.6 23.2 49 55 A N G 34 S+ 0 0 36 1,-0.3 216,-0.5 2,-0.2 4,-0.3 0.816 91.3 54.1 -50.0 -36.0 14.1 58.2 20.3 50 56 A A G <4 S+ 0 0 2 -3,-1.8 -1,-0.3 253,-0.3 4,-0.1 0.608 124.1 22.5 -78.8 -8.8 15.1 55.2 18.2 51 57 A F T <> S+ 0 0 11 -3,-2.5 4,-1.7 -4,-0.4 -2,-0.2 0.467 93.0 90.6-136.1 -2.2 13.6 52.7 20.6 52 58 A M H X S+ 0 0 43 -4,-2.5 4,-1.6 1,-0.2 -3,-0.1 0.607 83.7 62.2 -73.9 -10.5 11.0 54.4 22.9 53 59 A A H > S+ 0 0 30 210,-0.4 4,-1.1 -4,-0.3 -1,-0.2 0.893 107.5 41.4 -79.9 -41.7 8.1 53.5 20.4 54 60 A I H > S+ 0 0 91 209,-0.3 4,-0.7 2,-0.2 3,-0.3 0.868 115.8 51.5 -71.4 -34.7 8.6 49.8 20.8 55 61 A A H >X>S+ 0 0 4 -4,-1.7 5,-1.5 1,-0.2 4,-1.4 0.926 105.1 59.0 -63.9 -43.0 9.1 50.3 24.5 56 62 A E H 3<5S+ 0 0 110 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.766 106.6 44.7 -55.7 -34.6 5.8 52.3 24.5 57 63 A E H 3<5S+ 0 0 157 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.541 120.7 38.3 -93.0 -6.1 3.8 49.4 23.2 58 64 A H H <<5S- 0 0 150 -3,-1.1 -2,-0.2 -4,-0.7 -1,-0.2 0.391 106.1-128.6-115.4 -5.2 5.3 46.8 25.5 59 65 A D T ><5 + 0 0 114 -4,-1.4 3,-0.8 -5,-0.2 4,-0.4 0.799 62.1 141.8 60.3 35.5 5.4 49.3 28.4 60 66 A L T >>< + 0 0 71 -5,-1.5 4,-2.8 1,-0.2 3,-0.7 0.713 49.2 101.3 -70.8 -18.2 9.1 48.8 29.3 61 67 A I H 3> S+ 0 0 23 -6,-0.7 4,-1.0 1,-0.3 -1,-0.2 0.763 79.4 42.3 -32.5 -50.3 8.7 52.5 29.8 62 68 A T H <> S+ 0 0 25 -3,-0.8 4,-2.3 2,-0.2 -1,-0.3 0.895 114.6 48.9 -72.7 -40.6 8.5 52.3 33.6 63 69 A E H <> S+ 0 0 122 -3,-0.7 4,-2.7 -4,-0.4 -2,-0.2 0.933 111.8 48.3 -64.9 -45.1 11.2 49.7 34.1 64 70 A I H X S+ 0 0 17 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.793 110.7 56.4 -64.0 -25.8 13.6 51.6 31.9 65 71 A D H X S+ 0 0 18 -4,-1.0 4,-1.9 -5,-0.5 -2,-0.2 0.919 108.9 43.5 -68.0 -47.5 12.5 54.6 34.0 66 72 A R H X S+ 0 0 43 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.904 110.9 55.0 -66.4 -41.6 13.5 52.9 37.2 67 73 A W H X S+ 0 0 93 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.882 109.3 49.3 -57.3 -40.1 16.7 51.7 35.7 68 74 A V H X S+ 0 0 16 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.929 111.2 45.8 -67.0 -48.5 17.6 55.2 34.8 69 75 A V H X S+ 0 0 1 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.837 114.1 50.6 -64.5 -34.7 16.9 56.8 38.2 70 76 A A H X S+ 0 0 23 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.921 110.3 47.4 -69.9 -45.6 18.8 54.0 39.9 71 77 A R H X S+ 0 0 48 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.825 111.7 54.7 -64.3 -30.2 21.9 54.4 37.7 72 78 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.976 108.4 44.7 -66.4 -54.9 21.6 58.1 38.4 73 79 A I H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.932 114.7 52.5 -54.9 -43.8 21.7 57.7 42.1 74 80 A R H >X S+ 0 0 113 -4,-2.7 4,-2.2 2,-0.3 3,-1.2 0.965 109.6 45.0 -55.4 -58.9 24.5 55.2 41.6 75 81 A Q H 3X S+ 0 0 36 -4,-2.9 4,-2.2 1,-0.3 -1,-0.2 0.866 111.9 55.6 -53.3 -34.9 26.6 57.6 39.5 76 82 A L H 3< S+ 0 0 1 -4,-2.7 10,-0.3 -5,-0.2 -1,-0.3 0.805 106.8 51.5 -68.3 -28.1 25.7 60.1 42.1 77 83 A G H XX S+ 0 0 1 -4,-1.5 4,-2.1 -3,-1.2 3,-1.2 0.939 108.7 46.8 -74.2 -49.0 27.2 57.7 44.7 78 84 A E H 3X S+ 0 0 94 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.954 108.1 56.5 -57.7 -50.8 30.5 57.2 42.9 79 85 A R H 3<>S+ 0 0 36 -4,-2.2 5,-1.7 1,-0.2 6,-0.6 0.666 109.5 48.5 -56.4 -15.2 31.0 60.9 42.4 80 86 A Q H X45S+ 0 0 51 -3,-1.2 3,-2.4 -4,-0.3 -1,-0.2 0.854 106.6 51.6 -91.9 -42.4 30.6 61.3 46.1 81 87 A R H 3<5S+ 0 0 216 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.849 109.6 53.6 -60.2 -30.9 33.0 58.6 47.1 82 88 A A T 3<5S- 0 0 65 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.355 125.1-112.8 -82.2 4.3 35.4 60.5 44.7 83 89 A G T < 5S+ 0 0 59 -3,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.969 81.0 115.4 63.8 59.9 34.5 63.6 46.8 84 90 A H < - 0 0 89 -5,-1.7 -4,-0.2 -6,-0.1 -53,-0.2 0.717 57.6-145.5-125.8 -40.7 32.5 65.6 44.3 85 91 A K - 0 0 134 -6,-0.6 -54,-0.4 -9,-0.2 2,-0.3 1.000 29.8-175.2 63.5 67.5 28.9 66.2 45.2 86 92 A T - 0 0 1 -10,-0.3 2,-0.4 -11,-0.1 -54,-0.2 -0.683 15.0-143.1 -94.7 148.4 27.4 66.1 41.7 87 93 A H E -d 32 0A 30 -56,-2.4 -54,-2.0 -2,-0.3 2,-0.4 -0.908 12.9-156.8-113.7 143.6 23.8 66.9 41.0 88 94 A L E -dg 33 120A 0 31,-2.4 33,-3.1 -2,-0.4 2,-0.5 -0.977 9.9-153.0-129.7 132.7 21.8 65.1 38.3 89 95 A L E -dg 34 121A 0 -56,-2.4 -54,-2.3 -2,-0.4 2,-0.4 -0.860 20.4-171.2 -96.7 124.4 18.7 66.0 36.3 90 96 A V E -dg 35 122A 1 31,-2.7 33,-2.5 -2,-0.5 2,-0.2 -0.971 19.9-131.3-124.1 130.1 16.7 63.0 35.2 91 97 A R E - g 0 123A 120 -56,-0.5 2,-0.4 -2,-0.4 33,-0.2 -0.525 28.8-170.4 -73.7 142.5 13.7 63.0 32.8 92 98 A I - 0 0 5 31,-2.1 -2,-0.0 -2,-0.2 -27,-0.0 -0.972 16.2-133.0-143.8 126.8 10.8 61.0 34.1 93 99 A G > - 0 0 15 -2,-0.4 3,-2.4 -32,-0.2 4,-0.1 -0.343 27.1-115.5 -72.8 154.0 7.6 59.9 32.4 94 100 A P T >> S+ 0 0 24 0, 0.0 3,-2.4 0, 0.0 4,-0.6 0.726 110.3 79.8 -61.1 -19.2 4.2 60.3 34.1 95 101 A N H 3> S+ 0 0 52 1,-0.3 4,-0.8 2,-0.2 3,-0.2 0.762 90.4 54.5 -58.9 -21.6 4.1 56.6 34.0 96 102 A S H <4 S+ 0 0 0 -3,-2.4 -1,-0.3 1,-0.2 7,-0.1 0.453 86.9 79.7 -92.4 -2.5 6.3 56.9 37.1 97 103 A F H <4 S+ 0 0 11 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.868 107.6 26.7 -72.5 -36.4 3.9 59.2 39.0 98 104 A S H < S+ 0 0 75 -4,-0.6 -2,-0.2 -3,-0.2 -1,-0.2 0.735 95.5 106.4 -96.3 -28.2 1.7 56.3 40.1 99 105 A D X - 0 0 21 -4,-0.8 4,-0.6 1,-0.2 3,-0.4 -0.316 51.9-165.0 -53.6 121.9 4.3 53.5 40.0 100 106 A P H >> S+ 0 0 87 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.873 82.2 68.9 -78.5 -37.8 5.2 52.7 43.6 101 107 A Q H 3> S+ 0 0 110 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.646 93.0 62.5 -55.1 -16.8 8.4 50.8 42.8 102 108 A M H 3> S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.941 103.3 45.0 -76.0 -49.5 9.9 54.1 41.7 103 109 A I H X S+ 0 0 122 -4,-2.8 4,-3.4 2,-0.2 3,-0.7 0.988 120.1 42.5 -57.5 -62.2 16.8 52.2 48.6 109 115 A Q H 3X S+ 0 0 48 -4,-2.6 4,-2.2 1,-0.3 6,-0.3 0.914 110.4 56.0 -50.9 -52.0 19.3 53.4 46.1 110 116 A L H 3<>S+ 0 0 10 -4,-2.3 5,-1.5 -5,-0.5 -1,-0.3 0.859 116.1 38.1 -51.6 -38.2 19.6 56.8 47.7 111 117 A A H X<5S+ 0 0 73 -4,-1.8 3,-1.9 -3,-0.7 -2,-0.2 0.916 106.7 64.3 -80.1 -46.5 20.5 55.1 51.0 112 118 A V H 3<5S+ 0 0 96 -4,-3.4 -2,-0.2 1,-0.3 -3,-0.2 0.900 115.5 31.9 -39.7 -53.1 22.6 52.3 49.5 113 119 A Y T 3<5S- 0 0 76 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.393 106.7-125.2 -90.7 2.6 25.1 55.0 48.3 114 120 A G T < 5 + 0 0 52 -3,-1.9 -3,-0.2 -5,-0.2 -4,-0.1 0.763 56.5 152.8 60.1 27.8 24.5 57.4 51.2 115 121 A V < - 0 0 7 -5,-1.5 -1,-0.2 -6,-0.3 -2,-0.1 -0.714 45.4-118.7 -91.8 133.3 23.7 60.2 48.8 116 122 A P > - 0 0 45 0, 0.0 3,-0.9 0, 0.0 4,-0.2 -0.324 18.4-123.5 -68.5 157.4 21.4 63.0 49.9 117 123 A G G > S+ 0 0 3 29,-0.6 3,-1.9 1,-0.2 32,-0.5 0.772 103.9 73.3 -72.0 -27.8 18.1 63.6 48.0 118 124 A E G 3 S+ 0 0 97 1,-0.3 -1,-0.2 30,-0.2 31,-0.1 0.716 89.0 65.3 -58.2 -20.4 18.9 67.2 47.2 119 125 A R G < S+ 0 0 28 -3,-0.9 -31,-2.4 -32,-0.1 2,-0.6 0.683 89.7 73.4 -77.9 -19.5 21.4 65.8 44.7 120 126 A L E < -g 88 0A 0 -3,-1.9 29,-2.3 -33,-0.2 2,-0.6 -0.873 62.5-170.6-102.0 118.7 18.7 64.2 42.5 121 127 A W E -gh 89 149A 3 -33,-3.1 -31,-2.7 -2,-0.6 2,-0.6 -0.927 7.4-158.0-110.4 114.5 16.5 66.5 40.4 122 128 A L E -gh 90 150A 0 27,-3.4 29,-3.2 -2,-0.6 2,-0.4 -0.814 10.5-167.7 -96.2 120.5 13.5 64.9 38.7 123 129 A Q E +gh 91 151A 0 -33,-2.5 -31,-2.1 -2,-0.6 29,-0.2 -0.879 9.2 173.9-111.2 140.4 12.2 66.7 35.6 124 130 A T E - h 0 152A 1 27,-2.1 29,-3.3 -2,-0.4 -31,-0.1 -0.984 39.0 -91.8-140.9 148.7 8.9 66.1 33.9 125 131 A P E > - h 0 153A 18 0, 0.0 4,-1.5 0, 0.0 3,-0.3 -0.373 26.8-134.6 -64.2 136.5 7.1 67.8 31.0 126 132 A E H > S+ 0 0 10 27,-2.7 4,-1.4 1,-0.2 3,-0.3 0.891 104.5 59.2 -55.2 -44.5 4.6 70.5 32.1 127 133 A S H > S+ 0 0 64 27,-0.3 4,-0.9 1,-0.2 3,-0.2 0.895 107.2 45.9 -53.4 -44.7 2.0 69.1 29.7 128 134 A K H > S+ 0 0 90 -3,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.783 103.2 64.8 -72.4 -28.0 2.0 65.8 31.4 129 135 A V H < S+ 0 0 0 -4,-1.5 7,-0.2 -3,-0.3 -1,-0.2 0.854 106.0 40.1 -67.9 -36.6 1.9 67.2 34.9 130 136 A F H >< S+ 0 0 101 -4,-1.4 3,-0.6 -3,-0.2 -1,-0.2 0.719 109.5 57.4 -89.7 -11.7 -1.6 68.7 34.6 131 137 A T H 3< S+ 0 0 86 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.2 0.763 124.8 27.5 -78.6 -19.9 -3.1 65.9 32.6 132 138 A H T 3X S+ 0 0 72 -4,-1.1 4,-2.6 -5,-0.1 5,-0.3 -0.166 81.4 147.3-127.2 36.1 -2.0 63.8 35.7 133 139 A L H <> + 0 0 47 -3,-0.6 4,-2.9 1,-0.2 5,-0.2 0.865 69.7 45.3 -41.1 -61.1 -2.1 66.5 38.5 134 140 A R H > S+ 0 0 200 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.955 118.3 40.7 -52.1 -60.5 -3.1 64.3 41.5 135 141 A N H > S+ 0 0 60 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.822 118.5 49.9 -58.5 -31.5 -0.7 61.4 40.8 136 142 A A H X S+ 0 0 1 -4,-2.6 4,-1.8 -7,-0.2 -1,-0.3 0.843 109.0 52.6 -74.6 -33.5 1.9 64.0 39.9 137 143 A Q H X S+ 0 0 55 -4,-2.9 4,-1.7 -5,-0.3 -2,-0.2 0.811 111.2 44.0 -73.9 -31.1 1.2 65.9 43.1 138 144 A Q H X S+ 0 0 105 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.803 109.9 56.2 -83.5 -28.1 1.6 62.9 45.4 139 145 A F H X S+ 0 0 5 -4,-1.4 4,-2.6 -5,-0.3 5,-0.3 0.931 108.4 49.0 -64.8 -43.4 4.8 61.8 43.5 140 146 A L H X S+ 0 0 23 -4,-1.8 4,-3.0 1,-0.2 5,-0.2 0.952 111.9 49.3 -56.8 -52.7 6.2 65.3 44.3 141 147 A A H X S+ 0 0 61 -4,-1.7 4,-0.9 2,-0.2 -2,-0.2 0.895 114.6 43.3 -54.5 -47.3 5.2 64.9 48.0 142 148 A S H >< S+ 0 0 53 -4,-2.7 3,-0.6 2,-0.2 4,-0.4 0.956 118.0 43.1 -65.1 -53.0 6.7 61.5 48.3 143 149 A V H ><>S+ 0 0 0 -4,-2.6 5,-1.6 1,-0.2 3,-1.4 0.870 110.3 56.5 -60.4 -43.0 10.0 62.2 46.5 144 150 A S H ><5S+ 0 0 54 -4,-3.0 3,-0.7 -5,-0.3 -1,-0.2 0.745 96.6 65.1 -63.5 -25.5 10.4 65.7 48.2 145 151 A A T <<5S+ 0 0 88 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.682 101.5 49.2 -71.9 -18.6 10.3 64.0 51.6 146 152 A M T < 5S- 0 0 42 -3,-1.4 -29,-0.6 -4,-0.4 -1,-0.3 0.496 126.7-105.5 -95.3 -6.9 13.5 62.2 50.8 147 153 A G T < 5S+ 0 0 16 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.411 70.9 144.3 100.6 -1.2 14.9 65.6 49.7 148 154 A C < - 0 0 4 -5,-1.6 2,-0.5 -30,-0.1 -1,-0.3 -0.421 46.5-128.0 -72.5 147.2 14.8 65.1 45.9 149 155 A K E -h 121 0A 53 -29,-2.3 -27,-3.4 -32,-0.5 2,-0.4 -0.835 21.4-164.5 -97.7 128.2 14.0 68.1 43.7 150 156 A V E +h 122 0A 4 -2,-0.5 21,-2.9 -29,-0.2 22,-0.6 -0.937 14.0 172.5-114.5 135.0 11.2 67.8 41.2 151 157 A G E -hi 123 172A 0 -29,-3.2 -27,-2.1 -2,-0.4 2,-0.5 -0.856 30.9-109.6-136.5 172.1 10.7 70.3 38.3 152 158 A L E -hi 124 173A 0 20,-2.0 22,-2.6 -2,-0.3 3,-0.4 -0.879 24.8-162.6-106.7 124.1 8.8 71.0 35.2 153 159 A E E S+h 125 0A 1 -29,-3.3 -27,-2.7 -2,-0.5 -26,-0.2 -0.598 75.9 29.2 -96.5 164.5 10.4 70.9 31.7 154 160 A Q E S+ 0 0 77 20,-0.4 2,-0.4 21,-0.3 3,-0.3 0.915 89.0 160.5 53.4 44.3 8.8 72.5 28.6 155 161 A F E + i 0 175A 0 19,-2.2 21,-2.3 -3,-0.4 -1,-0.2 -0.777 33.3 45.6-100.1 139.9 7.2 75.0 31.0 156 162 A G S S+ 0 0 0 -2,-0.4 -1,-0.1 19,-0.2 6,-0.1 0.166 79.4 78.6 128.0 -26.1 5.9 78.4 29.9 157 163 A S + 0 0 61 -3,-0.3 2,-0.1 4,-0.1 -2,-0.1 0.484 69.9 98.4-100.9 0.8 3.8 78.5 26.7 158 164 A G S > S- 0 0 31 1,-0.1 3,-1.1 2,-0.0 4,-0.3 -0.402 77.9-118.5 -87.7 163.1 0.4 77.3 28.0 159 165 A L T 3 S+ 0 0 168 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.705 116.2 36.7 -69.4 -21.1 -2.7 79.2 29.0 160 166 A D T 3> S+ 0 0 91 1,-0.1 4,-0.6 2,-0.1 -1,-0.3 -0.029 81.8 110.9-124.0 33.5 -2.5 77.8 32.5 161 167 A S H X> S+ 0 0 2 -3,-1.1 3,-2.5 2,-0.2 4,-1.9 0.997 78.3 47.9 -68.0 -62.9 1.3 77.7 33.0 162 168 A F H 3> S+ 0 0 51 -4,-0.3 4,-1.3 1,-0.3 -1,-0.2 0.736 111.0 54.1 -51.5 -26.3 1.6 80.4 35.7 163 169 A Q H 3> S+ 0 0 133 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.678 103.9 54.2 -84.1 -16.8 -1.3 78.8 37.6 164 170 A L H S+ 0 0 8 -3,-2.5 4,-4.6 -4,-0.6 5,-0.7 0.924 104.9 55.7 -76.3 -47.1 0.4 75.4 37.6 165 171 A L H X5S+ 0 0 10 -4,-1.9 4,-1.4 1,-0.3 -2,-0.2 0.887 108.9 45.2 -50.0 -47.7 3.5 77.0 39.2 166 172 A A H <5S+ 0 0 75 -4,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.806 124.7 36.6 -67.9 -27.7 1.4 78.4 42.1 167 173 A H H <5S+ 0 0 97 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.2 0.933 123.8 35.4 -89.6 -56.9 -0.3 75.0 42.4 168 174 A F H <5S- 0 0 4 -4,-4.6 -3,-0.2 -5,-0.1 -2,-0.1 0.834 84.2-162.7 -69.1 -33.2 2.4 72.4 41.7 169 175 A Q << - 0 0 137 -4,-1.4 -4,-0.1 -5,-0.7 -3,-0.1 0.947 16.8-169.6 46.9 67.4 5.0 74.5 43.3 170 176 A P - 0 0 8 0, 0.0 -19,-0.2 0, 0.0 3,-0.1 -0.301 32.1-120.4 -82.0 169.4 8.0 72.7 41.8 171 177 A A S S- 0 0 30 -21,-2.9 35,-2.4 1,-0.2 2,-0.3 0.832 88.5 -4.1 -77.3 -36.7 11.7 73.1 42.7 172 178 A F E -ij 151 206A 0 -22,-0.6 -20,-2.0 33,-0.3 2,-0.3 -0.936 59.7-138.0-151.5 173.2 12.8 74.2 39.2 173 179 A L E -ij 152 207A 0 33,-2.9 35,-1.4 -2,-0.3 2,-0.6 -0.976 5.6-151.7-137.6 148.1 11.6 74.9 35.6 174 180 A K E - j 0 208A 0 -22,-2.6 -19,-2.2 -2,-0.3 -20,-0.4 -0.978 35.1-126.2-120.7 107.3 13.1 74.2 32.2 175 181 A L E -ij 155 209A 0 33,-3.2 35,-0.5 -2,-0.6 -21,-0.3 -0.263 28.2-102.2 -57.0 139.3 11.7 76.9 29.9 176 182 A D >> - 0 0 32 -21,-2.3 3,-1.6 1,-0.1 4,-1.6 -0.258 20.4-127.8 -62.1 146.1 10.0 75.7 26.7 177 183 A R H 3> S+ 0 0 94 1,-0.3 4,-2.1 2,-0.2 5,-0.4 0.712 106.3 73.8 -69.1 -17.4 12.0 75.9 23.5 178 184 A S H 34 S+ 0 0 61 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.699 110.1 31.2 -68.8 -14.1 9.1 77.8 22.0 179 185 A I H <> S+ 0 0 3 -3,-1.6 4,-1.2 2,-0.1 -2,-0.2 0.667 118.9 54.4-109.8 -29.1 10.2 80.7 24.2 180 186 A T H < S+ 0 0 4 -4,-1.6 4,-0.2 2,-0.2 -2,-0.2 0.737 101.7 52.6 -81.6 -27.4 14.0 80.0 24.3 181 187 A G T < S+ 0 0 59 -4,-2.1 3,-0.4 1,-0.1 -1,-0.2 0.890 112.9 47.4 -75.4 -36.7 14.8 79.8 20.6 182 188 A D T >> S+ 0 0 72 -5,-0.4 3,-3.8 1,-0.2 4,-1.6 0.847 78.6 95.9 -69.6 -46.2 13.2 83.2 19.9 183 189 A I T 3< S+ 0 0 1 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.1 0.589 76.4 64.2 -24.9 -38.6 14.6 85.5 22.7 184 190 A A T 34 S+ 0 0 45 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.782 129.8 4.2 -64.0 -22.4 17.4 87.0 20.6 185 191 A S T <4 S+ 0 0 106 -3,-3.8 2,-0.6 -4,-0.1 -2,-0.2 0.484 106.5 94.5-139.5 -9.5 14.7 88.5 18.4 186 192 A A X - 0 0 20 -4,-1.6 4,-2.0 1,-0.2 5,-0.1 -0.816 45.9-166.3 -98.0 124.0 11.2 87.9 19.7 187 193 A R H > S+ 0 0 183 -2,-0.6 4,-2.0 2,-0.2 5,-0.3 0.918 92.3 55.5 -68.9 -42.5 9.6 90.5 21.8 188 194 A E H > S+ 0 0 171 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 111.7 43.7 -55.3 -45.0 6.8 88.1 22.9 189 195 A S H > S+ 0 0 10 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.879 109.4 56.3 -68.2 -41.0 9.5 85.7 24.2 190 196 A Q H X S+ 0 0 56 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.837 114.2 39.9 -61.4 -34.7 11.6 88.3 25.8 191 197 A E H X S+ 0 0 108 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.903 114.7 51.2 -80.9 -44.4 8.6 89.4 27.9 192 198 A K H X S+ 0 0 63 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.906 107.5 52.6 -60.7 -42.3 7.3 86.0 28.6 193 199 A I H X S+ 0 0 2 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.909 112.1 47.2 -60.7 -38.3 10.7 84.7 29.8 194 200 A R H X S+ 0 0 113 -4,-0.9 4,-2.2 -5,-0.3 -2,-0.2 0.867 109.0 54.4 -69.2 -36.9 10.8 87.7 32.2 195 201 A E H X S+ 0 0 78 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.930 114.1 40.5 -61.3 -45.3 7.2 87.0 33.3 196 202 A I H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.859 112.7 56.3 -69.0 -39.1 8.1 83.4 34.2 197 203 A T H X S+ 0 0 9 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.874 106.5 49.2 -64.4 -36.3 11.4 84.6 35.7 198 204 A S H < S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.746 109.6 50.5 -77.0 -24.7 9.7 87.0 38.1 199 205 A R H < S+ 0 0 97 -4,-1.0 4,-0.3 -3,-0.2 -1,-0.2 0.706 112.3 48.9 -84.6 -18.5 7.2 84.4 39.4 200 206 A A H >X>S+ 0 0 0 -4,-1.2 5,-2.3 2,-0.1 3,-1.3 0.928 102.6 57.5 -83.8 -50.4 10.0 81.9 40.0 201 207 A Q T 3<5S+ 0 0 97 -4,-1.8 3,-0.5 1,-0.3 -2,-0.1 0.858 95.7 60.9 -50.4 -49.5 12.5 84.0 42.0 202 208 A P T 345S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.801 117.8 33.4 -52.4 -27.6 10.3 85.1 44.9 203 209 A T T <45S- 0 0 109 -3,-1.3 -2,-0.2 -4,-0.3 -3,-0.1 0.545 115.1-114.9-103.2 -14.1 9.8 81.4 45.8 204 210 A G T <5 + 0 0 45 -4,-1.2 2,-0.3 -3,-0.5 -3,-0.2 0.671 53.5 163.7 88.3 16.4 13.3 80.4 44.7 205 211 A I < - 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