==== 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 HYDROLASE 25-SEP-99 1D2M . COMPND 2 MOLECULE: EXCINUCLEASE ABC SUBUNIT B; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR N.NAKAGAWA,M.SUGAHARA,R.MASUI,R.KATO,K.FUKUYAMA,S.KURAMITSU, . 552 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25490.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 376 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 65 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 34 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 1 1 4 0 1 0 1 0 2 0 3 0 0 0 0 0 0 1 1 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 5 6 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 1 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 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 T 0 0 117 0, 0.0 2,-0.2 0, 0.0 130,-0.1 0.000 360.0 360.0 360.0 126.9 43.8 17.8 29.9 2 3 A F - 0 0 5 48,-0.4 2,-0.5 47,-0.2 75,-0.1 -0.644 360.0-147.4 -99.6 157.3 44.9 18.4 26.3 3 4 A R - 0 0 125 -2,-0.2 76,-0.4 128,-0.1 2,-0.2 -0.821 16.0-154.6-125.8 89.4 46.2 15.9 23.7 4 5 A Y + 0 0 23 -2,-0.5 73,-0.2 1,-0.1 72,-0.1 -0.440 21.9 167.7 -65.1 131.3 48.7 17.5 21.4 5 6 A R + 0 0 142 71,-2.7 -1,-0.1 -2,-0.2 72,-0.1 0.230 40.3 101.9-130.1 12.3 48.9 15.8 18.1 6 7 A G S S- 0 0 22 70,-0.4 70,-0.1 1,-0.2 2,-0.0 -0.076 83.8 -54.5 -85.7-169.4 50.9 18.2 15.9 7 8 A P - 0 0 88 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.330 63.3 -99.1 -67.9 148.9 54.6 18.1 14.9 8 9 A S - 0 0 78 1,-0.1 2,-0.1 -3,-0.1 35,-0.0 -0.366 50.6 -92.1 -65.0 146.0 57.2 17.8 17.6 9 10 A P + 0 0 28 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.362 53.1 174.1 -63.6 136.2 58.8 21.2 18.5 10 11 A K > + 0 0 111 29,-0.2 3,-2.2 -3,-0.1 2,-0.1 -0.751 43.7 20.2-132.3 179.0 62.0 22.1 16.6 11 12 A G T 3 S- 0 0 15 1,-0.3 4,-0.3 -2,-0.2 368,-0.2 -0.377 132.0 -20.5 60.2-130.8 64.3 25.0 16.2 12 13 A D T 3> S+ 0 0 20 366,-1.9 4,-2.5 1,-0.2 -1,-0.3 0.429 115.4 97.2 -89.3 0.2 64.0 27.3 19.3 13 14 A Q H <> S+ 0 0 10 -3,-2.2 4,-3.4 365,-0.2 -1,-0.2 0.922 79.1 52.2 -57.8 -46.5 60.5 26.0 20.1 14 15 A P H 4 S+ 0 0 63 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.946 114.7 42.1 -55.7 -47.8 61.7 23.5 22.8 15 16 A K H 4 S+ 0 0 156 -4,-0.3 5,-0.2 1,-0.2 -2,-0.2 0.880 115.0 50.9 -64.6 -40.0 63.7 26.2 24.6 16 17 A A H X S+ 0 0 0 -4,-2.5 4,-1.1 3,-0.1 5,-0.3 0.956 105.7 59.7 -63.0 -52.7 60.8 28.7 24.2 17 18 A I T < S+ 0 0 18 -4,-3.4 28,-0.1 -5,-0.2 27,-0.0 -0.498 106.4 39.8 -67.0 151.8 58.3 26.2 25.6 18 19 A A T 4 S+ 0 0 53 1,-0.1 2,-0.5 -2,-0.1 30,-0.0 0.503 112.4 46.8 71.1 128.7 59.7 25.6 29.1 19 20 A G T > S+ 0 0 10 1,-0.1 4,-2.0 355,-0.0 -2,-0.1 -0.291 115.3 52.1 95.1 -50.5 61.0 28.8 30.5 20 21 A L H X S+ 0 0 0 -4,-1.1 4,-2.2 -2,-0.5 5,-0.2 0.907 116.9 38.0 -77.7 -47.3 57.6 30.1 29.2 21 22 A V H > S+ 0 0 8 -5,-0.3 4,-2.6 2,-0.2 5,-0.2 0.901 117.4 51.8 -66.5 -41.2 56.1 27.2 31.2 22 23 A E H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.916 109.7 49.0 -62.2 -43.6 58.7 27.7 33.9 23 24 A A H <>S+ 0 0 2 -4,-2.0 5,-2.2 2,-0.2 -2,-0.2 0.919 113.5 46.1 -62.6 -44.2 57.8 31.4 34.2 24 25 A L H ><5S+ 0 0 5 -4,-2.2 3,-1.5 1,-0.2 -2,-0.2 0.891 112.0 49.9 -66.7 -41.4 54.1 30.7 34.4 25 26 A R H 3<5S+ 0 0 172 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.792 104.7 59.8 -68.2 -25.9 54.5 27.9 37.0 26 27 A D T 3<5S- 0 0 115 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.405 123.6-106.2 -81.3 2.8 56.6 30.3 39.0 27 28 A G T < 5 + 0 0 53 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.638 59.0 164.0 85.7 14.6 53.6 32.6 39.2 28 29 A E < - 0 0 76 -5,-2.2 -1,-0.2 1,-0.2 3,-0.1 -0.497 24.8-159.6 -67.2 131.1 54.7 35.4 36.8 29 30 A R S S+ 0 0 86 -2,-0.2 326,-3.2 1,-0.2 2,-0.5 0.876 77.5 37.8 -78.2 -39.5 51.6 37.4 35.8 30 31 A F E +a 355 0A 24 339,-0.3 341,-3.0 324,-0.2 342,-0.7 -0.965 66.9 164.6-120.4 126.2 53.1 38.9 32.6 31 32 A V E -ab 356 372A 0 324,-2.2 326,-3.1 -2,-0.5 2,-0.4 -0.990 20.3-148.3-137.9 144.1 55.3 36.9 30.2 32 33 A T E -ab 357 373A 0 340,-2.6 342,-3.0 -2,-0.3 2,-0.8 -0.951 5.8-156.9-119.9 133.5 56.3 37.7 26.6 33 34 A L E -ab 358 374A 0 324,-3.6 326,-2.1 -2,-0.4 2,-1.0 -0.930 14.4-163.2-101.8 107.1 57.1 35.2 23.8 34 35 A L E +ab 359 375A 24 340,-2.7 342,-2.3 -2,-0.8 2,-0.5 -0.833 21.7 168.4 -94.2 101.8 59.3 37.2 21.5 35 36 A G E - b 0 376A 0 -2,-1.0 342,-0.2 324,-1.0 3,-0.1 -0.962 29.6-135.0-124.9 122.7 59.2 35.1 18.3 36 37 A A > - 0 0 0 340,-1.7 3,-1.4 -2,-0.5 5,-0.2 -0.191 46.8 -77.4 -63.3 160.0 60.4 36.1 14.8 37 38 A T T 3 S+ 0 0 25 1,-0.2 -1,-0.1 2,-0.1 342,-0.0 -0.294 117.0 21.5 -59.0 144.6 58.1 35.4 11.9 38 39 A G T 3 S+ 0 0 46 -3,-0.1 343,-0.4 1,-0.1 -1,-0.2 0.591 85.5 112.5 75.0 12.4 58.2 31.8 10.8 39 40 A T S < S- 0 0 0 -3,-1.4 -29,-0.2 340,-0.2 -26,-0.1 0.462 90.6-107.4 -93.4 -1.8 59.4 30.3 14.1 40 41 A G > + 0 0 30 -4,-0.1 4,-1.6 3,-0.1 3,-0.2 0.952 48.3 174.3 78.7 54.7 56.1 28.6 14.6 41 42 A K H > S+ 0 0 28 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.790 75.4 60.0 -64.0 -28.2 54.5 30.6 17.4 42 43 A T H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 105.3 47.5 -67.2 -43.5 51.2 28.7 17.2 43 44 A V H > S+ 0 0 18 -3,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 111.8 52.1 -62.4 -39.7 52.9 25.3 18.0 44 45 A T H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.956 110.7 46.1 -61.8 -49.0 54.8 27.0 20.9 45 46 A M H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.925 112.0 53.8 -58.2 -44.1 51.5 28.4 22.4 46 47 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.877 108.5 46.9 -58.2 -43.7 50.0 25.0 21.9 47 48 A K H X S+ 0 0 44 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.845 111.8 51.2 -69.9 -33.6 52.7 23.1 23.8 48 49 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 5,-0.2 0.926 111.4 48.0 -67.1 -43.9 52.5 25.7 26.6 49 50 A I H X S+ 0 0 1 -4,-2.6 4,-2.1 -5,-0.2 5,-0.5 0.934 112.1 49.6 -60.8 -46.2 48.8 25.2 26.8 50 51 A E H < S+ 0 0 58 -4,-2.5 -48,-0.4 1,-0.2 -2,-0.2 0.939 111.2 49.8 -57.3 -48.9 49.2 21.4 26.8 51 52 A A H < S+ 0 0 43 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.866 115.4 40.8 -59.8 -41.6 51.8 21.6 29.6 52 53 A L H < S- 0 0 29 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.728 90.1-151.5 -82.4 -23.0 49.7 23.8 31.9 53 54 A G < + 0 0 20 -4,-2.1 -3,-0.1 -5,-0.2 -4,-0.1 0.741 48.2 129.1 58.8 29.0 46.4 22.0 31.2 54 55 A R - 0 0 37 -5,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.853 68.4 -97.0-112.8 147.0 44.2 25.0 31.9 55 56 A P - 0 0 1 0, 0.0 245,-2.3 0, 0.0 2,-0.3 -0.277 50.1-152.5 -58.3 152.9 41.5 26.3 29.5 56 57 A A E -cd 133 300A 0 76,-2.4 78,-3.1 243,-0.2 2,-0.5 -0.954 21.9-153.2-137.0 153.6 42.8 29.2 27.4 57 58 A L E -cd 134 301A 0 243,-2.5 245,-2.9 -2,-0.3 2,-0.6 -0.989 12.5-167.6-121.5 125.4 41.8 32.3 25.5 58 59 A V E -cd 135 302A 0 76,-3.2 78,-2.1 -2,-0.5 2,-0.4 -0.955 7.8-160.6-116.9 113.4 43.9 33.4 22.5 59 60 A L E -cd 136 303A 0 243,-3.0 245,-2.1 -2,-0.6 78,-0.2 -0.799 5.7-166.6 -98.9 134.5 43.1 36.9 21.2 60 61 A A E -c 137 0A 0 76,-2.3 78,-1.4 -2,-0.4 245,-0.1 -0.812 29.3-121.1-115.5 157.1 44.1 38.0 17.7 61 62 A P S S+ 0 0 15 0, 0.0 2,-0.3 0, 0.0 76,-0.1 0.661 91.3 14.1 -69.9 -18.6 44.2 41.5 16.1 62 63 A N S > S- 0 0 46 74,-0.1 4,-2.2 1,-0.1 5,-0.1 -0.981 76.8-105.9-154.5 165.6 41.7 40.7 13.4 63 64 A K H > S+ 0 0 42 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.723 113.0 58.1 -65.0 -26.7 39.1 38.1 12.2 64 65 A I H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.955 112.1 38.9 -70.0 -50.7 41.4 36.7 9.5 65 66 A L H > S+ 0 0 12 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.890 113.6 57.3 -66.1 -38.2 44.1 35.7 12.0 66 67 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.951 110.3 42.8 -57.1 -50.0 41.5 34.6 14.5 67 68 A A H X S+ 0 0 35 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.908 114.5 52.2 -62.4 -41.4 39.9 32.2 12.1 68 69 A Q H X S+ 0 0 91 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.919 110.2 46.9 -61.5 -46.9 43.4 31.0 11.0 69 70 A L H X S+ 0 0 2 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.911 110.0 53.7 -63.0 -43.4 44.5 30.3 14.6 70 71 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.930 108.7 49.5 -57.0 -46.4 41.3 28.5 15.4 71 72 A A H X S+ 0 0 46 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.892 111.8 48.6 -60.6 -41.9 41.8 26.2 12.4 72 73 A E H X S+ 0 0 76 -4,-2.0 4,-1.7 1,-0.2 3,-0.4 0.944 110.6 49.4 -63.5 -50.5 45.4 25.5 13.4 73 74 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.833 105.9 57.9 -59.6 -33.6 44.6 24.7 17.0 74 75 A R H < S+ 0 0 107 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.898 108.7 45.6 -64.6 -37.2 41.8 22.3 15.9 75 76 A E H < S+ 0 0 152 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.792 114.4 48.6 -74.3 -28.4 44.4 20.3 13.9 76 77 A L H < S+ 0 0 13 -4,-1.7 -71,-2.7 1,-0.2 -70,-0.4 0.777 124.3 29.6 -81.6 -29.3 46.8 20.3 16.9 77 78 A F >< + 0 0 1 -4,-2.2 3,-1.8 -73,-0.2 -1,-0.2 -0.493 69.3 162.9-128.9 62.8 44.2 19.2 19.4 78 79 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.717 79.0 45.6 -53.4 -24.4 41.7 17.1 17.3 79 80 A E T 3 S+ 0 0 101 -76,-0.4 2,-0.2 -3,-0.1 -75,-0.1 0.440 104.0 71.7-101.6 -2.7 40.3 15.6 20.5 80 81 A N S < S- 0 0 21 -3,-1.8 2,-0.9 -6,-0.2 52,-0.2 -0.576 92.9 -88.2-108.3 174.7 39.9 18.7 22.6 81 82 A A E +e 132 0A 4 50,-2.6 52,-2.9 -2,-0.2 2,-0.6 -0.734 41.2 178.6 -89.6 105.0 37.5 21.7 22.4 82 83 A V E -e 133 0A 15 -2,-0.9 2,-0.3 50,-0.2 52,-0.2 -0.924 13.1-171.7-106.2 115.9 38.8 24.4 20.1 83 84 A E E -e 134 0A 14 50,-3.1 52,-3.0 -2,-0.6 2,-0.5 -0.788 22.2-153.0-112.2 152.9 36.3 27.3 19.9 84 85 A Y E -e 135 0A 17 -2,-0.3 2,-2.4 34,-0.2 52,-0.2 -0.904 8.0-159.4-123.5 98.8 36.0 30.4 17.8 85 86 A F - 0 0 2 50,-2.0 52,-0.4 -2,-0.5 34,-0.1 -0.454 23.7-174.9 -79.4 70.7 34.1 33.1 19.6 86 87 A I - 0 0 11 -2,-2.4 2,-0.4 29,-0.2 -2,-0.0 -0.243 13.7-136.1 -63.4 154.0 33.3 35.0 16.4 87 88 A S > - 0 0 0 1,-0.1 3,-1.5 54,-0.0 4,-0.4 -0.924 12.4-130.4-120.1 144.0 31.5 38.3 16.8 88 89 A Y G >> S+ 0 0 52 -2,-0.4 4,-1.6 1,-0.3 3,-0.6 0.754 106.4 66.2 -62.2 -23.4 28.5 39.7 14.8 89 90 A Y G 34 S+ 0 0 68 1,-0.2 -1,-0.3 2,-0.2 50,-0.0 0.172 88.3 74.1 -84.5 22.8 30.4 43.0 14.3 90 91 A D G <4 S+ 0 0 24 -3,-1.5 -1,-0.2 3,-0.1 -2,-0.2 0.791 117.6 2.6-100.8 -35.7 32.9 41.0 12.2 91 92 A Y T <4 S+ 0 0 94 -3,-0.6 2,-0.2 -4,-0.4 -2,-0.2 0.571 121.6 62.3-125.3 -20.2 30.9 40.5 9.0 92 93 A Y S < S- 0 0 74 -4,-1.6 15,-0.1 16,-0.1 19,-0.0 -0.628 82.5 -98.7-110.5 168.3 27.5 42.3 9.6 93 94 A Q - 0 0 83 -2,-0.2 15,-2.0 13,-0.1 2,-0.1 -0.709 31.9-149.6 -89.5 130.1 26.4 45.8 10.2 94 95 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 -1,-0.0 -0.366 38.3 -80.3 -86.5 169.6 25.6 47.0 13.8 95 96 A E + 0 0 25 -2,-0.1 2,-0.3 12,-0.1 11,-0.2 -0.501 66.7 157.1 -70.8 142.7 23.0 49.6 14.7 96 97 A A E -G 105 0B 26 9,-2.3 9,-3.3 -2,-0.2 2,-0.4 -0.993 33.7-149.2-162.8 164.0 24.4 53.1 14.1 97 98 A Y E -G 104 0B 19 -2,-0.3 7,-0.2 226,-0.3 3,-0.1 -0.985 5.1-161.1-143.5 128.9 23.6 56.8 13.5 98 99 A V E > > -G 103 0B 52 5,-2.1 3,-1.0 -2,-0.4 5,-0.9 -0.919 3.4-163.7-114.1 106.6 25.7 59.3 11.6 99 100 A P G > 5S+ 0 0 54 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.885 82.3 76.4 -52.0 -43.1 24.7 62.9 12.4 100 101 A G G 3 5S+ 0 0 78 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.834 117.3 12.5 -36.5 -51.5 26.5 64.1 9.3 101 102 A K G < 5S- 0 0 145 -3,-1.0 -1,-0.3 2,-0.1 3,-0.1 0.058 98.9-119.7-120.3 24.7 23.7 62.9 7.1 102 103 A D T < 5 + 0 0 100 -3,-1.8 2,-0.4 -4,-0.3 -2,-0.1 0.578 63.4 150.5 51.7 10.9 20.9 62.2 9.6 103 104 A L E < -G 98 0B 62 -5,-0.9 -5,-2.1 -6,-0.0 2,-0.4 -0.593 33.9-157.2 -81.6 125.9 21.0 58.6 8.4 104 105 A Y E -G 97 0B 49 -2,-0.4 2,-0.5 -7,-0.2 -7,-0.2 -0.851 6.8-155.9-100.9 135.9 20.1 55.8 10.8 105 106 A I E -G 96 0B 53 -9,-3.3 -9,-2.3 -2,-0.4 2,-0.2 -0.944 4.8-146.3-117.7 119.8 21.4 52.3 10.1 106 107 A E - 0 0 135 -2,-0.5 2,-0.1 -11,-0.2 -13,-0.1 -0.501 27.5-107.9 -79.2 149.3 19.6 49.1 11.4 107 108 A K - 0 0 63 -2,-0.2 -1,-0.1 1,-0.1 -12,-0.1 -0.465 46.6 -91.6 -73.1 150.8 21.7 46.1 12.4 108 109 A D - 0 0 71 -15,-2.0 3,-0.3 -2,-0.1 2,-0.2 -0.349 44.4-151.8 -65.2 141.9 21.4 43.2 10.0 109 110 A A + 0 0 83 1,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 -0.636 67.9 29.7-110.1 169.7 18.7 40.6 10.8 110 111 A S S S- 0 0 131 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.0 0.882 83.5-172.1 48.5 45.7 18.4 36.9 10.1 111 112 A I - 0 0 41 -3,-0.3 -1,-0.1 1,-0.2 5,-0.1 -0.159 37.7 -69.6 -65.8 162.1 22.2 36.6 10.1 112 113 A N >> - 0 0 81 1,-0.2 3,-1.5 2,-0.1 4,-0.5 -0.293 43.9-131.2 -52.6 126.6 24.0 33.4 9.1 113 114 A P H 3> S+ 0 0 73 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.705 99.4 75.6 -56.2 -21.6 23.2 30.8 11.9 114 115 A E H 3> S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.863 86.8 61.4 -60.2 -37.4 27.0 29.9 12.1 115 116 A I H <> S+ 0 0 9 -3,-1.5 4,-1.7 1,-0.2 -29,-0.2 0.976 112.6 32.0 -53.1 -66.8 27.7 33.2 14.0 116 117 A E H X S+ 0 0 72 -4,-0.5 4,-2.5 1,-0.2 5,-0.2 0.829 116.1 61.2 -62.8 -31.5 25.5 32.5 17.1 117 118 A R H X S+ 0 0 51 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.944 105.7 45.1 -60.6 -49.5 26.2 28.7 16.7 118 119 A L H X S+ 0 0 25 -4,-2.8 4,-1.5 1,-0.2 -34,-0.2 0.865 113.1 51.8 -62.4 -37.6 30.0 29.2 17.2 119 120 A R H X S+ 0 0 17 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.890 112.5 44.1 -67.6 -40.9 29.3 31.6 20.1 120 121 A H H X S+ 0 0 3 -4,-2.5 4,-2.6 75,-0.3 5,-0.2 0.866 109.2 56.0 -72.5 -36.2 27.0 29.1 21.9 121 122 A S H X S+ 0 0 14 -4,-2.5 4,-2.1 74,-0.3 -1,-0.2 0.875 108.1 52.5 -61.1 -34.3 29.4 26.2 21.2 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4,-1.0 1,-0.2 -1,-0.2 0.919 112.4 42.9 -56.6 -47.9 31.8 57.3 20.7 323 352 A R H X S+ 0 0 147 -4,-1.4 4,-0.9 2,-0.2 -226,-0.3 0.866 120.2 42.0 -67.7 -38.6 29.5 55.2 18.4 324 353 A K H X S+ 0 0 16 -4,-2.6 4,-1.8 2,-0.2 3,-0.4 0.902 107.0 59.7 -76.1 -42.3 27.0 54.4 21.2 325 354 A K H X S+ 0 0 59 -4,-3.6 4,-2.6 -5,-0.3 -1,-0.2 0.806 102.7 56.8 -55.7 -30.3 27.0 57.9 22.7 326 355 A T H X S+ 0 0 33 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.912 104.1 49.5 -68.9 -43.5 25.7 59.1 19.3 327 356 A L H <>S+ 0 0 4 -4,-0.9 5,-2.5 -3,-0.4 6,-1.4 0.832 114.7 47.7 -63.9 -31.3 22.7 56.7 19.3 328 357 A V H ><5S+ 0 0 2 -4,-1.8 3,-1.6 4,-0.2 -2,-0.2 0.916 106.6 54.6 -75.1 -45.8 22.0 58.0 22.8 329 358 A D H 3<5S+ 0 0 61 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.786 112.0 44.8 -59.8 -30.4 22.3 61.7 22.0 330 359 A Y T 3<5S- 0 0 60 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.176 118.5-104.7-103.2 17.9 19.8 61.5 19.2 331 360 A G T < 5S+ 0 0 0 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.622 87.5 115.3 75.8 15.5 17.2 59.4 21.0 332 361 A F S - 0 0 4 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4,-2.1 -28,-0.1 3,-0.4 -0.525 38.9-106.1 -76.7 157.0 38.4 49.4 29.7 345 374 A F H > S+ 0 0 20 -31,-0.4 4,-2.4 1,-0.2 5,-0.2 0.919 121.3 49.2 -53.5 -48.1 41.9 48.0 29.7 346 375 A E H > S+ 0 0 124 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.825 109.4 52.6 -62.1 -31.6 42.3 48.1 33.5 347 376 A E H > S+ 0 0 17 -3,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.879 108.5 51.4 -70.4 -37.3 38.9 46.3 33.8 348 377 A F H >< S+ 0 0 3 -4,-2.1 3,-1.4 1,-0.2 4,-0.5 0.940 108.7 50.1 -62.4 -48.4 40.2 43.6 31.4 349 378 A L H >< S+ 0 0 16 -4,-2.4 3,-0.7 1,-0.3 -1,-0.2 0.799 105.3 58.1 -61.4 -30.0 43.4 43.2 33.5 350 379 A E H 3< S+ 0 0 140 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.675 106.5 50.0 -73.0 -17.9 41.2 42.8 36.6 351 380 A R T << S+ 0 0 69 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 0.435 103.8 65.2-101.4 -2.7 39.5 39.8 34.9 352 381 A V < - 0 0 10 -3,-0.7 3,-0.1 -4,-0.5 -52,-0.1 -0.816 56.5-163.1-118.1 160.3 42.5 37.8 33.9 353 382 A S S S+ 0 0 41 -54,-0.5 2,-0.4 1,-0.4 -1,-0.1 0.825 73.5 13.6-106.8 -59.2 45.2 36.1 35.9 354 383 A Q E - f 0 300A 22 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46.8 22.4 364 393 A P H > S+ 0 0 100 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.847 122.2 54.9 -54.9 -41.2 56.0 49.2 25.3 365 394 A F H > S+ 0 0 31 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.969 110.1 45.1 -60.4 -52.6 53.4 47.7 27.7 366 395 A E H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.876 113.5 50.8 -60.0 -36.6 54.8 44.2 27.3 367 396 A L H < S+ 0 0 93 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 113.7 43.6 -72.5 -31.5 58.4 45.4 27.7 368 397 A A H < S+ 0 0 82 -4,-2.1 -2,-0.2 -3,-0.2 -1,-0.2 0.801 124.6 32.8 -83.2 -26.1 57.7 47.4 30.9 369 398 A H H < S+ 0 0 91 -4,-2.2 -339,-0.3 -5,-0.2 -2,-0.2 0.745 84.2 106.2-104.8 -25.5 55.5 44.8 32.6 370 399 A S < - 0 0 21 -4,-2.2 -339,-0.2 -5,-0.3 3,-0.1 -0.335 49.7-158.5 -61.2 132.5 56.7 41.3 31.6 371 400 A G S S+ 0 0 44 -341,-3.0 2,-0.3 1,-0.2 -340,-0.2 0.557 83.2 24.5 -84.3 -9.2 58.5 39.5 34.4 372 401 A R E -b 31 0A 93 -342,-0.7 -340,-2.6 2,-0.0 2,-0.5 -0.968 62.0-162.4-156.4 135.8 60.1 37.3 31.8 373 402 A V E -b 32 0A 66 -2,-0.3 2,-0.5 -342,-0.2 -340,-0.2 -0.990 12.9-175.4-122.4 122.0 60.9 37.6 28.0 374 403 A V E -b 33 0A 12 -342,-3.0 -340,-2.7 -2,-0.5 2,-0.3 -0.967 9.4-160.0-116.6 123.4 61.5 34.3 26.2 375 404 A E E -b 34 0A 66 -2,-0.5 2,-0.4 -342,-0.2 -340,-0.2 -0.744 15.9-165.7-110.1 157.0 62.6 34.5 22.5 376 405 A Q E +b 35 0A 0 -342,-2.3 -340,-1.7 -2,-0.3 -337,-0.1 -0.963 24.2 151.7-135.4 115.1 62.5 32.0 19.7 377 406 A I + 0 0 2 -2,-0.4 2,-0.4 -342,-0.2 -1,-0.1 0.668 47.8 87.7-113.5 -36.6 64.6 33.1 16.7 378 407 A I S S- 0 0 11 161,-0.1 -366,-1.9 -339,-0.1 -365,-0.2 -0.578 72.3-140.0 -74.1 122.7 65.7 29.8 15.1 379 408 A R > - 0 0 5 -2,-0.4 3,-0.9 4,-0.4 -340,-0.2 -0.559 13.4-128.4 -85.3 145.1 63.0 28.6 12.6 380 409 A P T 3 S+ 0 0 53 0, 0.0 -369,-0.2 0, 0.0 -1,-0.1 0.876 113.2 51.3 -56.6 -35.4 62.0 24.9 12.3 381 410 A T T 3 S- 0 0 88 -343,-0.4 171,-0.2 -371,-0.1 -342,-0.1 0.669 108.3-126.5 -75.2 -20.5 62.7 25.3 8.6 382 411 A G < + 0 0 2 -3,-0.9 162,-0.1 1,-0.3 -1,-0.1 0.474 53.3 157.3 85.7 0.9 66.1 26.7 9.1 383 412 A L - 0 0 12 -345,-0.2 -4,-0.4 1,-0.1 -1,-0.3 -0.315 35.3-128.5 -62.9 143.4 65.3 29.7 6.9 384 413 A L - 0 0 23 126,-0.1 126,-0.2 1,-0.1 129,-0.2 -0.641 17.6-106.7 -95.6 148.9 67.4 32.8 7.4 385 414 A D - 0 0 5 -2,-0.3 123,-0.1 148,-0.2 120,-0.1 -0.443 57.1 -96.3 -64.3 148.1 66.3 36.4 8.1 386 415 A P - 0 0 3 0, 0.0 2,-0.3 0, 0.0 128,-0.2 -0.107 30.2-101.4 -68.1 163.9 67.0 38.4 4.8 387 416 A L E -l 514 0E 78 126,-1.9 128,-2.4 -3,-0.1 2,-0.5 -0.661 37.6-148.1 -80.8 139.9 70.0 40.5 3.9 388 417 A V E -l 515 0E 34 -2,-0.3 2,-0.3 126,-0.2 128,-0.2 -0.960 16.0-174.4-117.2 126.2 69.2 44.1 4.2 389 418 A R E -l 516 0E 109 126,-2.9 128,-3.5 -2,-0.5 2,-0.5 -0.890 17.6-144.4-119.5 149.3 70.7 46.7 1.9 390 419 A V E -l 517 0E 63 -2,-0.3 128,-0.2 126,-0.2 126,-0.1 -0.966 24.5-176.0-112.1 126.2 70.5 50.5 2.0 391 420 A K E -l 518 0E 21 126,-2.6 128,-2.4 -2,-0.5 5,-0.1 -0.928 28.3 -99.5-124.9 149.6 70.5 52.1 -1.5 392 421 A P - 0 0 81 0, 0.0 128,-0.1 0, 0.0 -1,-0.1 -0.138 22.5-129.0 -60.5 156.3 70.5 55.8 -2.7 393 422 A T S > S+ 0 0 41 125,-0.1 3,-2.0 2,-0.1 2,-0.3 0.721 82.2 104.1 -79.4 -21.2 67.3 57.5 -3.7 394 423 A E T 3 S- 0 0 159 1,-0.3 0, 0.0 2,-0.1 0, 0.0 -0.464 101.9 -4.5 -64.6 123.0 69.0 58.5 -7.0 395 424 A N T 3> S+ 0 0 106 -2,-0.3 4,-2.2 3,-0.1 -1,-0.3 0.788 89.1 148.7 62.9 30.3 67.7 56.2 -9.7 396 425 A Q H <> + 0 0 34 -3,-2.0 4,-3.1 1,-0.2 5,-0.2 0.930 67.3 49.4 -56.8 -53.4 65.7 54.2 -7.2 397 426 A I H > S+ 0 0 57 -4,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.886 111.9 46.9 -59.1 -42.2 62.9 53.3 -9.5 398 427 A L H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.922 114.7 48.2 -65.4 -43.2 65.2 52.1 -12.3 399 428 A D H X S+ 0 0 58 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.920 114.8 46.1 -60.5 -45.2 67.2 50.1 -9.8 400 429 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 -2,-0.2 0.934 111.0 51.8 -63.0 -50.5 63.9 48.7 -8.3 401 430 A M H X S+ 0 0 18 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.889 111.0 46.6 -56.0 -43.6 62.5 47.9 -11.7 402 431 A E H X S+ 0 0 121 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.874 112.2 52.2 -68.5 -34.7 65.6 46.0 -12.8 403 432 A G H X S+ 0 0 2 -4,-1.8 4,-1.7 -5,-0.2 -2,-0.2 0.897 111.6 46.2 -66.3 -40.3 65.6 44.1 -9.5 404 433 A I H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.932 112.8 48.0 -68.1 -47.2 61.9 43.2 -10.0 405 434 A R H X S+ 0 0 147 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.888 109.4 54.2 -62.1 -39.7 62.3 42.0 -13.6 406 435 A E H X S+ 0 0 101 -4,-2.1 4,-0.8 -5,-0.2 -1,-0.2 0.929 113.8 41.8 -59.0 -47.1 65.4 40.0 -12.7 407 436 A R H ><>S+ 0 0 10 -4,-1.7 5,-2.8 1,-0.2 3,-1.0 0.920 111.5 53.0 -69.3 -42.7 63.4 38.2 -10.0 408 437 A A H ><5S+ 0 0 27 -4,-3.0 3,-1.4 1,-0.3 -1,-0.2 0.840 101.0 64.9 -61.0 -30.9 60.2 37.7 -12.0 409 438 A A H 3<5S+ 0 0 87 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.852 110.2 36.1 -59.5 -36.1 62.5 36.1 -14.7 410 439 A R T <<5S- 0 0 115 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.057 127.0 -91.0-108.8 26.6 63.3 33.3 -12.3 411 440 A G T < 5S+ 0 0 38 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.700 81.5 132.8 78.4 22.2 59.9 32.9 -10.6 412 441 A E < - 0 0 7 -5,-2.8 -1,-0.2 -8,-0.1 2,-0.2 -0.841 42.5-142.0-109.8 145.9 60.4 35.3 -7.6 413 442 A R E -m 480 0E 36 66,-2.8 68,-2.1 -2,-0.3 69,-1.3 -0.657 5.5-146.7-104.2 161.2 58.0 38.0 -6.4 414 443 A T E -mn 482 464E 0 49,-2.4 51,-2.2 -2,-0.2 2,-0.4 -0.982 1.8-158.2-131.3 136.7 58.5 41.5 -5.0 415 444 A L E -mn 483 465E 0 67,-2.4 69,-2.9 -2,-0.4 2,-0.4 -0.912 15.4-167.9-110.0 138.2 56.6 43.5 -2.4 416 445 A V E -mn 484 466E 0 49,-2.6 51,-2.6 -2,-0.4 2,-0.5 -0.993 8.1-164.6-133.5 131.6 57.0 47.3 -2.4 417 446 A T E +mn 485 467E 2 67,-2.5 69,-2.2 -2,-0.4 2,-0.3 -0.961 11.2 172.9-117.5 128.8 55.9 49.8 0.2 418 447 A V - 0 0 2 49,-2.1 69,-0.1 -2,-0.5 -2,-0.0 -0.741 33.3-124.7-119.7 172.2 55.6 53.6 -0.5 419 448 A L S S+ 0 0 49 -2,-0.3 2,-0.3 50,-0.0 49,-0.1 0.727 80.7 46.6 -95.5 -23.4 54.3 56.3 1.8 420 449 A T S > S- 0 0 65 1,-0.1 4,-2.2 47,-0.1 5,-0.1 -0.811 71.9-124.4-122.8 162.5 51.5 58.0 -0.3 421 450 A V H > S+ 0 0 45 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.879 112.7 53.5 -68.3 -39.1 48.6 57.1 -2.5 422 451 A R H > S+ 0 0 179 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.929 110.2 48.2 -61.8 -44.2 49.9 59.1 -5.4 423 452 A M H > S+ 0 0 66 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.923 112.2 48.1 -61.4 -46.2 53.2 57.3 -5.2 424 453 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.918 114.7 47.0 -61.0 -44.3 51.5 53.9 -5.0 425 454 A E H X S+ 0 0 101 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.946 117.1 41.1 -62.1 -51.8 49.3 54.8 -8.0 426 455 A E H X S+ 0 0 116 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.871 114.1 50.6 -68.3 -39.9 52.1 56.2 -10.1 427 456 A L H X S+ 0 0 13 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.935 110.6 50.3 -65.2 -44.7 54.7 53.5 -9.3 428 457 A T H X S+ 0 0 14 -4,-1.9 4,-2.4 -5,-0.3 5,-0.2 0.945 113.4 43.6 -59.3 -50.8 52.3 50.7 -10.1 429 458 A S H X S+ 0 0 57 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.914 113.3 53.5 -62.5 -39.7 51.2 52.1 -13.5 430 459 A F H < S+ 0 0 78 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.924 110.1 46.6 -60.5 -44.7 54.9 52.9 -14.3 431 460 A L H ><>S+ 0 0 0 -4,-2.8 5,-1.8 1,-0.2 3,-1.2 0.919 111.6 51.2 -63.7 -43.3 55.9 49.3 -13.5 432 461 A V H ><5S+ 0 0 76 -4,-2.4 3,-1.2 1,-0.3 -1,-0.2 0.899 107.1 53.7 -61.5 -39.7 53.1 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