==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 15-NOV-12 4HZM . COMPND 2 MOLECULE: BETA-HEXOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR J.P.BACIK,B.L.MARK . 661 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24863.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 466 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.2 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 34 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 35.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 4.7 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 4 2 0 0 4 2 0 0 2 0 0 0 2 0 0 0 2 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 6 4 4 4 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 PARALLEL BRIDGES PER LADDER . 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 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 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 1 A M 0 0 31 0, 0.0 289,-1.9 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 129.2 38.2 33.5 53.0 2 2 A G - 0 0 1 24,-0.6 23,-0.2 287,-0.2 24,-0.1 -0.485 360.0-135.9 -90.0 158.9 37.7 36.8 54.9 3 3 A P S S+ 0 0 1 0, 0.0 266,-2.8 0, 0.0 2,-0.5 0.499 71.7 96.9 -91.2 -3.5 34.5 38.0 56.5 4 4 A V E -ab 26 269A 1 21,-2.6 23,-2.8 264,-0.2 24,-2.0 -0.762 46.8-172.1 -97.7 128.5 34.7 41.7 55.4 5 5 A M E +ab 28 270A 0 264,-3.0 266,-2.8 -2,-0.5 24,-0.3 -0.972 22.7 158.9-109.0 124.0 32.9 43.1 52.4 6 6 A L E -ab 29 271A 5 22,-1.8 24,-2.6 -2,-0.5 2,-0.3 -0.716 28.6-123.6-131.6-173.6 33.9 46.8 51.6 7 7 A N - 0 0 17 264,-0.6 2,-0.2 -2,-0.2 24,-0.1 -0.854 12.3-127.3-129.7 168.0 33.9 49.2 48.7 8 8 A V - 0 0 2 22,-0.4 24,-0.2 -2,-0.3 265,-0.1 -0.724 22.4-123.5-111.0 166.1 36.3 51.4 46.8 9 9 A E S S+ 0 0 87 -2,-0.2 2,-0.1 3,-0.1 4,-0.1 0.819 73.2 4.1 -84.1 -32.9 35.9 55.1 46.2 10 10 A G S S- 0 0 23 2,-0.3 22,-0.1 25,-0.1 -2,-0.1 -0.443 87.2 -69.6-137.3-154.2 36.1 55.6 42.4 11 11 A C S S+ 0 0 44 -2,-0.1 2,-0.3 25,-0.1 26,-0.1 0.581 114.1 34.2 -89.4 -11.6 36.3 54.2 38.9 12 12 A E S S- 0 0 164 33,-0.0 -2,-0.3 36,-0.0 -3,-0.1 -0.980 90.6-105.3-137.6 149.2 39.9 53.1 39.3 13 13 A L - 0 0 16 -2,-0.3 2,-0.2 -4,-0.1 -2,-0.1 -0.365 29.2-148.1 -69.8 150.3 41.8 51.7 42.4 14 14 A D > - 0 0 53 -2,-0.1 4,-2.2 1,-0.0 5,-0.2 -0.634 31.8 -97.7-108.5 175.9 44.3 53.7 44.3 15 15 A A H > S+ 0 0 62 1,-0.2 4,-1.9 -2,-0.2 5,-0.2 0.907 122.3 52.6 -60.4 -41.1 47.4 52.6 46.1 16 16 A E H > S+ 0 0 109 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.899 110.1 49.1 -63.7 -38.8 45.7 52.5 49.5 17 17 A E H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.877 105.3 56.4 -71.0 -35.7 42.9 50.4 48.1 18 18 A R H X S+ 0 0 97 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.909 108.8 48.5 -61.6 -39.3 45.3 47.9 46.6 19 19 A E H >< S+ 0 0 145 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.936 110.9 50.3 -62.7 -46.3 46.9 47.4 50.0 20 20 A I H >< S+ 0 0 24 -4,-2.0 3,-2.0 1,-0.2 -2,-0.2 0.901 104.7 57.3 -58.2 -42.5 43.5 46.9 51.6 21 21 A L H 3< S+ 0 0 2 -4,-2.5 33,-1.9 1,-0.3 34,-0.4 0.705 99.1 60.8 -67.0 -18.2 42.5 44.3 49.0 22 22 A A T << S+ 0 0 47 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.490 79.9 114.3 -82.3 -2.1 45.5 42.2 50.0 23 23 A H X - 0 0 50 -3,-2.0 3,-1.7 -4,-0.2 32,-0.3 -0.487 69.1-136.1 -77.5 135.6 44.3 41.8 53.5 24 24 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.716 101.7 60.7 -63.8 -20.8 43.3 38.3 54.6 25 25 A L T 3 S+ 0 0 12 -23,-0.2 -21,-2.6 -22,-0.1 2,-0.6 0.546 82.3 96.3 -83.8 -8.6 40.1 39.5 56.3 26 26 A V E < +a 4 0A 0 -3,-1.7 -24,-0.6 -6,-0.2 29,-0.3 -0.736 36.0 153.5 -83.9 122.1 38.7 41.0 53.0 27 27 A G E + 0 0 0 -23,-2.8 31,-2.3 -2,-0.6 2,-0.3 0.467 58.1 32.1-122.2 -8.0 36.3 38.5 51.4 28 28 A G E -ac 5 58A 0 -24,-2.0 -22,-1.8 29,-0.3 2,-0.4 -0.986 51.4-156.4-151.6 157.8 34.0 40.7 49.4 29 29 A L E -ac 6 59A 0 29,-2.5 31,-2.9 -2,-0.3 2,-0.5 -0.983 10.8-156.7-138.9 126.2 33.7 43.9 47.4 30 30 A I E - c 0 60A 3 -24,-2.6 -22,-0.4 -2,-0.4 2,-0.3 -0.891 12.9-146.0-103.6 132.9 30.5 45.8 46.8 31 31 A L E - c 0 61A 0 29,-3.0 31,-0.6 -2,-0.5 2,-0.2 -0.732 15.3-174.2 -96.9 144.6 30.2 48.2 43.8 32 32 A F > - 0 0 19 -2,-0.3 3,-1.9 -24,-0.2 4,-0.1 -0.756 43.9 -94.4-128.4 174.3 28.2 51.5 43.7 33 33 A T G > S+ 0 0 73 1,-0.3 3,-2.3 -2,-0.2 39,-0.1 0.828 120.2 66.9 -61.7 -29.9 27.4 54.0 41.0 34 34 A R G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -26,-0.1 -3,-0.0 0.668 99.2 54.0 -64.0 -15.5 30.4 56.1 42.1 35 35 A N G < S+ 0 0 0 -3,-1.9 2,-0.4 -24,-0.1 -1,-0.3 0.325 99.3 85.4 -95.4 6.7 32.5 53.2 40.7 36 36 A Y < + 0 0 28 -3,-2.3 -25,-0.1 1,-0.1 -1,-0.0 -0.929 25.1 136.4-123.3 130.7 30.8 53.3 37.3 37 37 A H S S- 0 0 133 1,-0.5 -1,-0.1 -2,-0.4 36,-0.1 0.557 77.9 -18.7-124.4 -48.8 31.3 55.2 34.1 38 38 A D > - 0 0 49 1,-0.0 4,-2.7 36,-0.0 -1,-0.5 -0.969 67.2 -96.4-157.7 164.4 31.0 52.6 31.2 39 39 A P H > S+ 0 0 21 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.822 120.7 50.7 -61.6 -33.8 31.1 48.8 30.7 40 40 A E H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.950 113.3 45.0 -66.8 -48.2 34.8 48.9 29.5 41 41 A Q H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.910 114.7 50.2 -59.4 -42.9 35.9 50.9 32.6 42 42 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.935 109.0 49.0 -64.8 -47.0 33.8 48.6 34.8 43 43 A R H X S+ 0 0 65 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.901 113.3 48.7 -59.9 -39.2 35.1 45.4 33.5 44 44 A E H X S+ 0 0 77 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.885 107.9 53.9 -69.0 -39.0 38.7 46.7 33.9 45 45 A L H X S+ 0 0 5 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.925 109.5 48.3 -59.3 -45.6 38.0 47.9 37.5 46 46 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.933 110.6 51.5 -61.9 -42.4 36.8 44.4 38.4 47 47 A R H X S+ 0 0 107 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.919 110.6 48.4 -58.4 -42.7 39.9 42.9 36.7 48 48 A Q H X S+ 0 0 61 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.869 109.2 53.7 -67.0 -35.6 42.1 45.2 38.8 49 49 A I H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.946 111.0 45.3 -62.0 -46.9 40.2 44.3 42.0 50 50 A R H < S+ 0 0 47 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.897 112.1 51.4 -66.8 -37.8 40.8 40.6 41.3 51 51 A A H < S+ 0 0 81 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.863 114.5 44.4 -64.2 -38.2 44.5 41.2 40.5 52 52 A A H < S+ 0 0 25 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.796 95.9 97.2 -75.1 -30.7 45.0 43.2 43.7 53 53 A S < - 0 0 22 -4,-1.9 -31,-0.3 -5,-0.2 -32,-0.1 -0.280 55.3-159.1 -72.8 144.0 43.1 40.8 46.0 54 54 A R S S+ 0 0 177 -33,-1.9 -32,-0.1 -31,-0.2 -1,-0.1 0.940 83.4 45.8 -75.2 -55.8 44.6 38.1 48.2 55 55 A N S S- 0 0 28 -34,-0.4 2,-1.0 -29,-0.3 -32,-0.0 -0.452 99.4-101.8 -82.6 158.7 41.4 36.1 48.5 56 56 A H - 0 0 96 -2,-0.1 2,-0.1 -3,-0.0 -1,-0.1 -0.756 54.4-147.8 -76.8 102.7 39.0 35.2 45.7 57 57 A L - 0 0 1 -2,-1.0 2,-0.7 -8,-0.1 -29,-0.3 -0.446 13.6-126.3 -79.4 148.1 36.5 37.9 46.5 58 58 A V E -c 28 0A 0 -31,-2.3 -29,-2.5 -2,-0.1 2,-0.5 -0.868 29.0-152.8 -85.2 118.8 32.8 37.8 46.0 59 59 A V E -c 29 0A 0 -2,-0.7 56,-2.1 -31,-0.2 55,-1.4 -0.878 21.2-179.1 -99.3 129.9 32.1 41.0 44.0 60 60 A A E +cd 30 115A 0 -31,-2.9 -29,-3.0 -2,-0.5 2,-0.3 -0.830 16.2 177.1-133.5 161.5 28.5 42.3 44.5 61 61 A V E -cd 31 116A 0 54,-1.3 56,-2.3 -2,-0.3 2,-1.0 -0.980 37.0-114.8-158.7 155.2 26.2 45.1 43.5 62 62 A D + 0 0 20 -31,-0.6 8,-1.1 -2,-0.3 2,-0.7 -0.779 48.4 154.5 -94.4 86.2 22.6 46.3 44.0 63 63 A Q E +E 69 0B 0 -2,-1.0 6,-0.2 6,-0.2 45,-0.1 -0.793 16.3 134.8-113.4 81.1 21.2 45.7 40.5 64 64 A E E - 0 0 16 4,-1.9 5,-0.2 -2,-0.7 2,-0.2 0.850 59.7-108.9 -94.0 -46.0 17.5 45.3 41.3 65 65 A G E > S+E 68 0B 3 3,-2.6 3,-1.7 -3,-0.2 16,-0.3 -0.474 77.8 28.7 120.1 155.3 15.6 47.4 38.8 66 66 A G T 3 S+ 0 0 4 12,-3.1 -1,-0.2 1,-0.3 12,-0.1 -0.326 129.3 5.3 64.5-127.6 13.6 50.6 39.0 67 67 A R T 3 S+ 0 0 119 1,-0.2 2,-0.6 -3,-0.1 -1,-0.3 0.651 130.5 57.4 -66.9 -21.6 14.8 52.9 41.8 68 68 A V E < +E 65 0B 15 -3,-1.7 -3,-2.6 -5,-0.0 -4,-1.9 -0.850 64.7 122.3-116.0 99.6 17.8 50.6 42.7 69 69 A Q E -E 63 0B 4 -2,-0.6 -6,-0.2 -6,-0.2 3,-0.1 -0.815 36.0-167.8-154.4 106.0 20.1 50.0 39.7 70 70 A R S S+ 0 0 66 -8,-1.1 2,-0.6 -2,-0.3 -7,-0.1 0.863 78.9 46.2 -69.1 -35.9 23.8 51.0 40.1 71 71 A F + 0 0 0 1,-0.1 -1,-0.2 5,-0.1 3,-0.1 -0.928 62.5 149.7-114.3 113.4 24.8 50.7 36.4 72 72 A R > + 0 0 92 -2,-0.6 3,-2.3 1,-0.1 -1,-0.1 0.838 51.2 64.4-107.0 -71.8 22.4 52.3 34.0 73 73 A E T 3 S+ 0 0 75 1,-0.3 -1,-0.1 -36,-0.1 3,-0.1 -0.357 113.4 22.9 -57.2 130.5 24.0 53.7 30.8 74 74 A G T 3 S+ 0 0 39 1,-0.3 2,-0.3 -36,-0.1 -1,-0.3 0.367 116.6 80.5 91.2 -4.8 25.5 50.7 28.9 75 75 A F S < S- 0 0 20 -3,-2.3 -1,-0.3 3,-0.0 2,-0.2 -0.840 91.3 -88.4-126.9 162.5 23.1 48.3 30.6 76 76 A T - 0 0 2 -2,-0.3 2,-0.9 27,-0.1 -5,-0.1 -0.557 42.6-121.2 -66.9 136.7 19.5 47.2 30.2 77 77 A R - 0 0 144 -2,-0.2 247,-0.3 240,-0.2 248,-0.1 -0.720 32.4-145.9 -80.5 106.3 17.1 49.4 32.2 78 78 A L - 0 0 2 -2,-0.9 -12,-3.1 -12,-0.1 3,-0.1 -0.546 13.2-117.5 -81.3 135.8 15.5 46.9 34.5 79 79 A P - 0 0 1 0, 0.0 245,-0.1 0, 0.0 -1,-0.1 -0.317 35.0 -93.3 -67.5 154.1 11.9 47.5 35.5 80 80 A A >> - 0 0 2 -15,-0.2 3,-1.4 244,-0.1 4,-0.6 -0.321 35.8-116.1 -60.7 143.8 10.8 48.0 39.1 81 81 A A H >> S+ 0 0 9 1,-0.3 3,-1.1 -16,-0.3 4,-0.5 0.889 113.6 57.9 -48.5 -44.3 9.8 44.8 40.9 82 82 A Q H 3> S+ 0 0 48 50,-2.6 4,-1.6 1,-0.2 -1,-0.3 0.781 94.8 67.5 -60.6 -27.8 6.2 46.1 41.3 83 83 A S H <> S+ 0 0 0 -3,-1.4 4,-2.5 49,-0.3 5,-0.4 0.778 84.9 67.9 -69.1 -29.9 5.8 46.6 37.6 84 84 A F H S- 0 0 69 -4,-1.8 5,-1.0 -5,-0.4 4,-0.7 0.453 91.0-143.5-131.1 -1.8 1.4 42.0 33.0 89 89 A G H X> - 0 0 22 -4,-2.0 4,-0.9 -5,-0.3 5,-0.6 -0.058 46.5 -39.9 69.0-168.5 -0.1 39.7 35.7 90 90 A L H >5S+ 0 0 109 3,-0.2 4,-1.2 2,-0.1 -1,-0.2 0.931 131.3 34.7 -64.4 -51.3 0.8 36.2 36.8 91 91 A E H >5S+ 0 0 168 2,-0.2 4,-2.1 3,-0.2 -2,-0.1 0.989 129.5 27.3 -74.5 -59.6 1.7 34.5 33.6 92 92 A E H X5S+ 0 0 72 -4,-0.7 4,-2.6 2,-0.2 -3,-0.2 0.890 123.3 51.6 -73.4 -37.9 3.3 37.2 31.4 93 93 A G H X<>S+ 0 0 0 -4,-2.1 5,-2.2 -5,-0.2 3,-1.4 0.906 109.9 53.2 -73.4 -42.1 26.5 41.4 35.7 109 109 A I H ><5S+ 0 0 4 -4,-2.8 3,-2.0 1,-0.3 -2,-0.2 0.853 100.1 62.9 -61.7 -32.5 28.4 38.2 35.1 110 110 A A T 3<5S+ 0 0 8 -4,-2.0 194,-0.4 1,-0.3 -1,-0.3 0.732 103.4 49.4 -63.7 -20.6 29.7 39.7 31.8 111 111 A M T < 5S- 0 0 5 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.359 123.0-111.4 -93.7 3.9 31.5 42.2 34.1 112 112 A D T < 5 + 0 0 31 -3,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.703 68.9 149.4 64.0 27.8 32.8 39.3 36.2 113 113 A I < - 0 0 0 -5,-2.2 -1,-0.3 1,-0.1 -53,-0.2 -0.697 37.9-153.5 -85.5 136.1 30.6 40.4 39.0 114 114 A D + 0 0 1 -55,-1.4 45,-0.4 -2,-0.3 2,-0.4 0.932 63.3 10.2 -77.6 -49.3 29.4 37.5 41.2 115 115 A I E -d 60 0A 0 -56,-2.1 -54,-1.3 43,-0.1 2,-0.4 -0.977 45.2-152.7-138.7 147.1 26.2 38.6 42.7 116 116 A S E -d 61 0A 0 43,-0.4 2,-1.9 -2,-0.4 45,-0.3 -0.967 40.6-116.4-106.8 133.8 23.4 41.2 42.6 117 117 A F + 0 0 1 -56,-2.3 43,-0.1 -2,-0.4 46,-0.0 -0.507 63.5 169.5 -73.2 83.8 21.7 41.5 46.0 118 118 A A + 0 0 2 -2,-1.9 43,-2.4 1,-0.1 -2,-0.2 -0.976 23.4 48.0-156.8 154.8 18.3 40.4 44.8 119 119 A P - 0 0 0 0, 0.0 44,-1.7 0, 0.0 2,-0.4 0.346 54.8-144.8 -92.4 154.8 15.5 39.5 45.0 120 120 A V B -f 163 0C 3 13,-0.3 15,-0.4 42,-0.2 44,-0.2 -0.683 17.1-178.5 -69.0 125.2 13.6 41.7 47.4 121 121 A L + 0 0 2 42,-3.5 43,-0.2 -2,-0.4 73,-0.2 0.254 37.4 126.6-112.3 5.2 11.1 39.5 49.2 122 122 A D - 0 0 1 41,-0.7 2,-0.5 11,-0.1 13,-0.5 -0.334 56.9-129.8 -61.4 147.6 9.5 42.3 51.2 123 123 A V + 0 0 0 11,-0.1 14,-0.2 12,-0.1 68,-0.1 -0.896 59.8 8.0-111.4 126.6 5.7 42.5 50.9 124 124 A G - 0 0 6 12,-2.0 10,-0.1 -2,-0.5 12,-0.1 -0.088 66.5-109.1 94.1 167.3 3.8 45.6 50.1 125 125 A H S S+ 0 0 55 1,-0.1 -1,-0.1 5,-0.1 7,-0.1 0.279 84.1 97.9-120.9 5.5 4.7 49.1 49.0 126 126 A I + 0 0 124 43,-0.3 2,-0.5 5,-0.1 44,-0.1 0.721 60.9 90.9 -73.7 -23.1 3.9 51.3 52.1 127 127 A S S >> S- 0 0 3 42,-0.8 4,-1.9 1,-0.2 3,-1.4 -0.657 72.4-145.6 -77.2 122.3 7.5 51.4 53.4 128 128 A A T 34 S+ 0 0 87 -2,-0.5 -1,-0.2 43,-0.3 44,-0.1 0.850 99.2 51.6 -57.2 -36.0 9.1 54.5 51.8 129 129 A A T 34 S+ 0 0 49 42,-0.3 -1,-0.3 39,-0.1 40,-0.1 0.668 121.6 32.2 -74.6 -19.3 12.4 52.7 51.6 130 130 A I T X4 S+ 0 0 2 -3,-1.4 3,-2.2 41,-0.2 -2,-0.2 0.845 78.2 130.0-102.6 -69.1 10.9 49.7 49.8 131 131 A G G >< S+ 0 0 9 -4,-1.9 3,-1.5 1,-0.3 -4,-0.1 -0.237 85.4 8.5 56.8-124.1 8.0 50.9 47.7 132 132 A E G 3 S+ 0 0 19 1,-0.3 -50,-2.6 -7,-0.1 -49,-0.3 0.472 112.6 84.2 -72.7 -1.5 8.2 49.6 44.1 133 133 A R G < S+ 0 0 35 -3,-2.2 2,-0.3 -52,-0.2 -13,-0.3 0.629 77.5 82.5 -74.0 -15.4 11.1 47.3 45.1 134 134 A S S < S- 0 0 0 -3,-1.5 -11,-0.1 -10,-0.1 -13,-0.1 -0.703 77.8-139.4 -88.3 143.0 8.5 44.8 46.3 135 135 A Y S S- 0 0 9 -13,-0.5 -50,-0.3 -15,-0.4 2,-0.3 0.787 75.4 -20.7 -71.7 -26.9 6.8 42.4 43.8 136 136 A H - 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0 0 0 -3,-1.5 4,-2.8 -4,-0.2 5,-0.3 -0.880 49.6-161.8-111.2 117.4 31.8 39.8 74.9 558 228 B P H >>S+ 0 0 22 0, 0.0 4,-2.1 0, 0.0 5,-1.9 0.825 96.8 58.6 -61.4 -30.1 30.8 36.2 74.2 559 229 B Y H 4>S+ 0 0 57 3,-0.2 5,-2.8 1,-0.2 6,-0.2 0.976 113.5 36.2 -60.0 -54.3 34.5 35.5 73.8 560 230 B W H 4>S+ 0 0 0 3,-0.2 5,-2.6 4,-0.2 -1,-0.2 0.884 127.2 36.4 -65.3 -40.6 35.3 36.6 77.3 561 231 B L H <>S+ 0 0 0 -4,-2.8 5,-1.4 35,-0.2 -2,-0.2 0.896 131.8 20.4 -87.0 -41.0 32.1 35.4 78.9 562 232 B K I <>S+ 0 0 96 -4,-2.1 5,-2.6 -5,-0.3 6,-0.2 0.921 129.8 37.4 -93.9 -56.3 31.4 32.1 77.2 563 233 B T I XS+ 0 0 54 -5,-1.9 5,-1.8 3,-0.2 -3,-0.2 0.958 132.9 20.5 -64.8 -51.5 34.7 31.0 75.6 564 234 B V I XS+ 0 0 0 -5,-2.8 5,-2.5 -6,-0.2 4,-0.4 0.980 129.1 37.5 -82.8 -62.9 37.1 32.1 78.3 565 235 B L I - 0 0 43 1,-0.2 3,-1.4 -2,-0.1 24,-0.2 -0.387 42.1-152.8 -54.1 118.5 25.8 49.3 84.4 580 250 B L T 3 S+ 0 0 4 22,-3.0 23,-0.2 1,-0.3 -1,-0.2 0.866 93.2 64.2 -63.5 -36.8 23.6 49.7 81.3 581 251 B S T 3 0 0 36 21,-0.2 -1,-0.3 23,-0.1 -2,-0.1 0.532 360.0 360.0 -65.0 -4.9 23.0 53.4 82.1 582 252 B M < 0 0 90 -3,-1.4 -4,-0.0 -4,-0.0 0, 0.0 -0.093 360.0 360.0-122.1 360.0 26.8 53.8 81.6 583 ! 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 0.0 584 259 B G 0 0 82 0, 0.0 -364,-0.1 0, 0.0 -408,-0.0 0.000 360.0 360.0 360.0-164.1 20.9 51.5 70.7 585 260 B S > - 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0 0 7 -5,-2.3 -1,-0.3 1,-0.1 -22,-0.2 -0.472 34.8-160.9 -72.1 142.0 25.4 37.7 81.4 599 274 B D S S+ 0 0 19 -24,-2.6 2,-0.4 1,-0.3 -23,-0.2 0.803 78.9 26.2 -83.8 -36.6 22.9 36.2 83.8 600 275 B M B S-t 576 0J 0 -25,-1.9 -23,-2.7 -7,-0.1 2,-0.5 -0.993 70.6-147.7-135.9 135.0 21.8 39.4 85.3 601 276 B I E -l 338 0F 0 -264,-2.7 -262,-3.0 -2,-0.4 2,-0.5 -0.895 12.0-142.5-108.1 130.6 21.8 43.0 83.9 602 277 B L E -l 339 0F 8 -2,-0.5 -22,-3.0 -24,-0.5 2,-0.5 -0.780 17.0-179.8 -93.6 127.0 22.3 46.1 86.0 603 278 B V E +l 340 0F 1 -264,-2.8 -262,-0.6 -2,-0.5 2,-0.3 -0.874 16.6 177.8-126.4 96.8 20.3 49.2 85.2 604 279 B C + 0 0 5 -2,-0.5 -23,-0.1 1,-0.2 -264,-0.0 -0.720 52.7 5.8-105.2 146.8 21.3 51.9 87.7 605 280 B N S S+ 0 0 96 -2,-0.3 -1,-0.2 -263,-0.1 2,-0.1 0.750 102.6 86.6 61.9 33.2 20.2 55.5 88.0 606 281 B N > - 0 0 58 -3,-0.3 4,-2.6 -265,-0.1 5,-0.2 -0.523 44.5-178.9-162.6 90.2 17.5 55.7 85.3 607 282 B R H > S+ 0 0 77 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 88.4 50.4 -57.2 -48.3 13.9 54.7 86.1 608 283 B K H > S+ 0 0 178 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 111.6 48.9 -57.2 -45.2 12.7 55.3 82.6 609 284 B G H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.907 111.5 49.0 -60.3 -45.7 15.5 53.1 81.2 610 285 B A H X S+ 0 0 5 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.926 111.6 48.7 -61.0 -44.9 14.8 50.3 83.6 611 286 B V H X S+ 0 0 46 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.885 107.9 56.3 -63.6 -35.9 11.1 50.4 82.8 612 287 B S H X S+ 0 0 38 -4,-2.3 4,-1.3 -5,-0.2 -1,-0.2 0.907 108.7 46.6 -60.6 -42.6 12.0 50.3 79.1 613 288 B V H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.5 0.938 112.0 49.8 -64.1 -46.9 14.0 47.1 79.7 614 289 B L H < S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.881 114.5 45.8 -61.2 -35.2 11.2 45.6 81.7 615 290 B D H < S+ 0 0 108 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.704 121.1 34.1 -79.1 -23.0 8.6 46.4 79.0 616 291 B N H < S+ 0 0 65 -4,-1.3 2,-0.3 -3,-0.5 -2,-0.2 0.409 89.0 98.7-122.4 -0.6 10.6 45.3 76.0 617 292 B L S < S- 0 0 11 -4,-1.6 3,-0.1 -5,-0.1 -399,-0.1 -0.706 74.3-118.5 -85.2 142.4 12.7 42.3 77.0 618 293 B S - 0 0 44 -2,-0.3 -2,-0.1 1,-0.1 -401,-0.1 -0.545 47.9 -81.9 -76.0 147.3 11.3 38.8 76.1 619 294 B P + 0 0 124 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.247 63.3 161.4 -53.5 127.8 10.5 36.6 79.1 620 295 B I - 0 0 75 -3,-0.1 2,-0.3 -285,-0.0 -3,-0.0 -0.988 30.9-132.2-148.8 145.1 13.7 34.9 80.4 621 296 B K - 0 0 66 -2,-0.3 -285,-0.2 -285,-0.1 3,-0.1 -0.703 5.3-161.6 -96.6 153.0 14.6 33.3 83.7 622 297 B A > + 0 0 4 -287,-2.0 3,-1.6 -2,-0.3 4,-0.4 -0.505 26.2 158.8-127.6 60.5 17.8 33.9 85.6 623 298 B E G > + 0 0 110 1,-0.3 3,-1.3 2,-0.2 4,-0.2 0.771 65.1 68.1 -61.2 -29.0 17.8 30.8 87.8 624 299 B R G > S+ 0 0 69 1,-0.2 3,-1.8 2,-0.2 -1,-0.3 0.841 89.7 67.0 -57.0 -31.1 21.5 31.0 88.5 625 300 B V G X S+ 0 0 0 -3,-1.6 3,-1.9 1,-0.3 -1,-0.2 0.788 83.8 71.7 -66.5 -24.7 20.9 34.2 90.5 626 301 B T G X S+ 0 0 48 -3,-1.3 3,-0.6 -4,-0.4 -1,-0.3 0.584 83.0 71.8 -69.2 -6.2 18.9 32.2 93.2 627 302 B R G < S+ 0 0 125 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.560 86.2 69.3 -79.5 -6.2 22.2 30.7 94.4 628 303 B L G < + 0 0 1 -3,-1.9 -135,-0.4 -4,-0.1 -1,-0.2 0.458 62.6 124.7-100.2 2.6 23.2 34.1 95.9 629 304 B Y < - 0 0 44 -3,-0.6 -237,-0.1 -4,-0.1 -181,-0.1 -0.304 64.5-111.5 -62.4 141.6 20.8 34.5 98.8 630 305 B H - 0 0 25 -184,-0.1 2,-0.2 -138,-0.1 -138,-0.2 -0.320 25.3-127.8 -69.1 155.5 22.5 35.1 102.1 631 306 B K + 0 0 126 -140,-2.5 -1,-0.1 -183,-0.1 -138,-0.0 -0.625 65.7 26.5 -94.0 163.0 22.4 32.5 104.9 632 307 B G - 0 0 52 -2,-0.2 2,-0.3 1,-0.1 -2,-0.0 0.126 63.5-125.6 77.6 168.5 21.4 33.3 108.4 633 308 B S + 0 0 111 2,-0.0 2,-0.3 -187,-0.0 -1,-0.1 -0.857 42.5 134.0-157.9 115.1 19.1 35.8 109.9 634 309 B F - 0 0 59 -191,-0.3 -188,-0.2 -2,-0.3 2,-0.2 -0.970 44.1-112.4-155.7 163.6 20.1 38.2 112.7 635 310 B S > - 0 0 48 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.476 31.6-107.9 -96.6 167.2 19.8 41.9 113.5 636 311 B R H > S+ 0 0 78 -192,-0.5 4,-2.7 2,-0.2 5,-0.2 0.887 121.2 53.2 -57.6 -39.8 22.4 44.6 113.8 637 312 B R H > S+ 0 0 134 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.923 108.0 48.9 -63.3 -47.4 22.0 44.5 117.6 638 313 B E H > S+ 0 0 120 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.922 113.4 48.4 -59.5 -43.1 22.5 40.8 117.8 639 314 B L H >< S+ 0 0 11 -4,-2.3 3,-1.4 1,-0.2 6,-0.3 0.936 110.4 49.9 -60.6 -47.4 25.6 41.1 115.6 640 315 B M H 3< S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.713 104.9 58.6 -72.8 -15.6 27.1 43.9 117.6 641 316 B D H 3< S+ 0 0 89 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.659 85.9 102.2 -81.2 -15.2 26.6 42.0 120.9 642 317 B S S S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.915 105.8 52.6 -59.6 -42.6 32.4 38.9 120.9 644 319 B R H > S+ 0 0 76 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.873 108.4 49.9 -64.9 -39.5 33.9 38.5 117.4 645 320 B W H > S+ 0 0 34 -6,-0.3 4,-2.7 2,-0.2 5,-0.3 0.945 112.1 48.6 -63.2 -44.0 32.1 41.6 116.1 646 321 B K H X S+ 0 0 119 -4,-2.1 4,-1.2 -7,-0.2 -2,-0.2 0.934 116.9 42.5 -59.1 -44.4 33.4 43.6 119.1 647 322 B T H X S+ 0 0 84 -4,-2.7 4,-1.1 -5,-0.2 -2,-0.2 0.922 118.6 42.9 -68.8 -46.1 36.9 42.2 118.5 648 323 B A H X S+ 0 0 0 -4,-3.3 4,-2.3 -5,-0.2 5,-0.2 0.920 108.9 57.4 -68.1 -44.2 37.0 42.6 114.7 649 324 B S H X S+ 0 0 8 -4,-2.7 4,-2.8 -5,-0.3 5,-0.2 0.868 105.3 47.4 -58.2 -46.4 35.4 46.0 114.5 650 325 B A H X S+ 0 0 61 -4,-1.2 4,-2.0 -5,-0.3 -1,-0.2 0.917 113.6 49.0 -63.1 -43.1 37.8 48.0 116.7 651 326 B Q H X S+ 0 0 67 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.870 113.6 46.4 -64.2 -39.1 40.8 46.5 114.9 652 327 B L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.910 109.9 51.9 -72.5 -43.8 39.3 47.3 111.5 653 328 B N H X S+ 0 0 38 -4,-2.8 4,-2.2 -5,-0.2 -2,-0.2 0.896 112.3 48.9 -55.1 -42.0 38.4 50.9 112.4 654 329 B Q H X S+ 0 0 59 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.911 109.3 49.5 -67.3 -43.6 42.0 51.3 113.6 655 330 B L H X S+ 0 0 6 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.916 110.2 52.6 -62.2 -40.5 43.5 49.9 110.5 656 331 B H H X S+ 0 0 22 -4,-2.6 4,-1.8 -245,-0.3 -2,-0.2 0.936 111.6 46.5 -57.0 -47.4 41.3 52.2 108.5 657 332 B E H X S+ 0 0 37 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.922 111.8 49.9 -60.9 -47.4 42.5 55.1 110.6 658 333 B R H X S+ 0 0 32 -4,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.886 109.8 50.9 -61.5 -39.0 46.2 54.1 110.2 659 334 B W H X S+ 0 0 22 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.867 105.8 56.6 -66.2 -37.5 45.8 53.8 106.4 660 335 B Q H X S+ 0 0 83 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.917 108.1 47.6 -59.1 -42.4 44.3 57.3 106.4 661 336 B E H X>S+ 0 0 111 -4,-1.9 5,-2.3 2,-0.2 4,-0.6 0.878 108.8 54.6 -66.4 -38.0 47.4 58.6 108.1 662 337 B E H ><5S+ 0 0 98 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.936 108.2 47.9 -58.5 -51.5 49.7 56.7 105.6 663 338 B K H 3<5S+ 0 0 103 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.792 105.6 60.3 -60.9 -31.7 48.1 58.3 102.6 664 339 B A H 3<5S- 0 0 81 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.691 118.1-112.7 -70.3 -17.0 48.4 61.7 104.2 665 340 B G T <<5 0 0 73 -3,-1.3 -3,-0.2 -4,-0.6 -2,-0.1 0.531 360.0 360.0 89.5 10.8 52.1 61.3 104.3 666 341 B H < 0 0 93 -5,-2.3 -4,-0.2 -6,-0.2 -3,-0.1 0.089 360.0 360.0 -95.4 360.0 52.0 61.1 108.1