==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-FEB-09 2WB5 . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR H.C.DORFMUELLER,V.S.BORODKIN,M.SCHIMPL,D.M.F.VAN AALTEN . 1169 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 835 71.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 110 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 4.8 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 1 0.1 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 . 61 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 101 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 446 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 2.2 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 4 0 0 2 1 3 2 2 1 7 4 1 3 0 0 2 2 0 0 0 2 0 0 0 0 1 1 RESIDUES PER ALPHA HELIX . 4 6 3 9 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 PARALLEL BRIDGES PER LADDER . 2 6 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 2 0 0 0 2 0 2 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 40 A Q 0 0 210 0, 0.0 19,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 62.0 29.1 27.3 67.8 2 41 A V - 0 0 40 1,-0.1 129,-0.3 127,-0.1 16,-0.1 0.321 360.0-179.9-139.0 127.4 30.5 28.5 65.6 3 42 A L - 0 0 157 1,-0.1 -1,-0.1 127,-0.1 16,-0.0 -0.167 37.5-105.5 -71.4 154.0 30.5 27.8 61.9 4 43 A V - 0 0 49 127,-0.1 -1,-0.1 125,-0.1 3,-0.1 -0.688 38.1-131.1 -77.3 129.3 32.4 29.6 59.1 5 44 A P - 0 0 37 0, 0.0 -1,-0.0 0, 0.0 117,-0.0 -0.307 41.3 -70.3 -76.1 159.3 30.1 31.9 57.0 6 45 A N - 0 0 77 1,-0.1 2,-0.4 417,-0.1 4,-0.0 -0.245 57.5-159.0 -47.2 133.3 30.1 31.8 53.2 7 46 A L - 0 0 15 -3,-0.1 -1,-0.1 4,-0.0 112,-0.1 -0.970 5.1-137.1-120.8 137.3 33.3 33.3 51.9 8 47 A N S S+ 0 0 0 -2,-0.4 2,-0.2 160,-0.2 162,-0.1 -0.967 87.6 25.6-139.4 128.0 34.1 34.7 48.5 9 48 A P S S- 0 0 0 0, 0.0 398,-0.1 0, 0.0 161,-0.1 0.601 98.8-114.8 -67.8 176.4 36.6 34.1 47.1 10 49 A T - 0 0 43 -2,-0.2 404,-0.1 397,-0.1 -2,-0.1 -0.732 36.3-123.4 -79.1 117.8 37.4 30.7 48.6 11 50 A P - 0 0 10 0, 0.0 3,-0.2 0, 0.0 125,-0.1 -0.280 11.0-124.5 -64.2 147.7 40.7 31.3 50.5 12 51 A E S S+ 0 0 47 1,-0.2 2,-0.5 125,-0.1 124,-0.2 0.951 95.7 23.5 -55.9 -51.3 43.7 29.1 49.6 13 52 A N E S+A 135 0A 76 122,-2.9 122,-1.4 2,-0.0 2,-0.3 -0.955 70.8 149.5-129.9 124.9 44.1 27.8 53.1 14 53 A L E +A 134 0A 50 -2,-0.5 2,-0.3 120,-0.2 120,-0.2 -0.958 7.9 166.5-150.6 125.2 41.6 27.7 55.9 15 54 A E E -A 133 0A 149 118,-1.1 118,-2.3 -2,-0.3 2,-0.5 -0.994 35.8-119.6-142.6 143.2 41.1 25.4 58.9 16 55 A V E +A 132 0A 87 -2,-0.3 116,-0.3 116,-0.2 3,-0.1 -0.630 36.7 161.9 -71.4 121.0 39.0 25.6 62.0 17 56 A V + 0 0 88 114,-1.1 2,-0.3 -2,-0.5 115,-0.2 -0.111 61.7 23.3-131.3 35.2 41.2 25.5 65.0 18 57 A G S S- 0 0 24 113,-0.6 113,-0.4 -16,-0.1 3,-0.1 -0.975 76.2-104.5 178.8 172.9 38.7 26.8 67.6 19 58 A D - 0 0 119 -2,-0.3 110,-0.1 1,-0.2 -1,-0.0 0.436 60.2-129.0 -94.1 -3.0 35.1 27.4 68.7 20 59 A G - 0 0 12 78,-0.2 2,-0.3 -19,-0.1 -1,-0.2 -0.104 22.6-140.6 73.8-179.2 35.1 31.1 67.9 21 60 A F E -G 129 0B 22 108,-0.7 108,-1.3 106,-0.1 2,-0.3 -0.978 19.8 -84.1-175.2 157.6 34.0 33.8 70.2 22 61 A K E -G 128 0B 135 -2,-0.3 2,-0.4 106,-0.2 106,-0.2 -0.627 33.5-131.7 -86.2 140.0 32.2 37.1 70.4 23 62 A I - 0 0 4 104,-2.2 4,-0.1 -2,-0.3 39,-0.1 -0.789 32.8-116.8 -86.5 132.0 33.8 40.4 69.6 24 63 A T - 0 0 53 -2,-0.4 -1,-0.1 2,-0.3 29,-0.1 -0.096 24.7-101.5 -71.3 158.1 33.1 43.0 72.3 25 64 A S S S+ 0 0 101 1,-0.1 28,-3.1 27,-0.1 2,-0.3 0.722 117.5 34.8 -41.2 -24.5 31.3 46.3 72.0 26 65 A S E S-b 53 0A 33 26,-0.2 37,-1.1 28,-0.0 -2,-0.3 -0.999 75.6-166.1-142.7 130.0 34.9 47.6 71.9 27 66 A I E -bc 54 63A 2 26,-3.1 28,-3.0 -2,-0.3 2,-0.5 -0.808 28.1-106.1-114.1 163.9 38.1 46.1 70.4 28 67 A N E - c 0 64A 9 35,-3.8 37,-3.0 -2,-0.3 2,-0.5 -0.880 30.9-153.9 -85.5 120.4 41.8 46.7 70.7 29 68 A L E + c 0 65A 23 -2,-0.5 2,-0.4 26,-0.4 37,-0.2 -0.880 20.2 169.8 -97.3 115.9 43.3 48.4 67.6 30 69 A V E + c 0 66A 29 35,-1.6 37,-2.3 -2,-0.5 -2,-0.0 -0.996 59.4 17.9-130.5 125.1 47.0 47.7 67.0 31 70 A G S >> S+ 0 0 6 -2,-0.4 4,-2.7 35,-0.2 3,-1.6 0.179 70.6 126.1 109.2 -16.3 48.9 48.6 63.8 32 71 A E T 34 S+ 0 0 41 1,-0.3 8,-0.1 2,-0.2 -2,-0.0 0.752 75.3 59.0 -45.7 -26.0 46.6 51.2 62.2 33 72 A E T 34 S+ 0 0 146 1,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.869 120.0 22.5 -75.2 -38.6 49.6 53.5 62.1 34 73 A E T <4 S+ 0 0 98 -3,-1.6 -2,-0.2 33,-0.2 3,-0.1 0.871 101.7 96.1 -96.0 -50.1 51.8 51.2 60.0 35 74 A A S < S- 0 0 6 -4,-2.7 5,-0.1 32,-0.4 33,-0.1 0.083 94.3 -66.9 -42.1 153.9 49.3 49.1 58.2 36 75 A D > - 0 0 29 1,-0.1 4,-1.6 73,-0.1 -1,-0.1 -0.144 41.4-130.3 -44.4 131.5 48.1 50.0 54.7 37 76 A E H > S+ 0 0 151 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.904 106.1 42.7 -50.7 -51.9 46.1 53.2 54.5 38 77 A N H > S+ 0 0 40 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.826 108.6 57.3 -71.5 -33.4 43.3 51.7 52.4 39 78 A A H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.868 109.9 48.2 -65.4 -31.3 43.1 48.5 54.4 40 79 A V H X S+ 0 0 12 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.902 106.5 51.8 -77.7 -44.4 42.5 50.6 57.5 41 80 A N H X S+ 0 0 71 -4,-1.8 4,-1.3 1,-0.2 -1,-0.2 0.818 110.4 51.9 -63.9 -26.8 39.8 52.9 56.1 42 81 A A H X S+ 0 0 9 -4,-1.4 4,-1.8 2,-0.2 -1,-0.2 0.844 110.3 48.8 -74.3 -36.0 37.9 49.8 55.1 43 82 A L H X S+ 0 0 3 -4,-1.2 4,-3.3 2,-0.2 -2,-0.2 0.960 110.4 49.1 -64.4 -53.1 38.3 48.4 58.6 44 83 A R H X S+ 0 0 100 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.823 110.6 51.9 -56.8 -35.5 37.0 51.6 60.3 45 84 A E H X S+ 0 0 105 -4,-1.3 4,-2.6 -5,-0.3 -1,-0.2 0.934 112.8 43.6 -69.0 -45.6 34.0 51.7 57.9 46 85 A F H X S+ 0 0 29 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.930 115.3 50.3 -61.0 -48.8 33.1 48.1 58.8 47 86 A L H ><>S+ 0 0 5 -4,-3.3 5,-1.5 2,-0.2 3,-0.8 0.963 113.3 45.1 -55.5 -56.3 33.7 48.8 62.4 48 87 A T H ><5S+ 0 0 113 -4,-3.0 3,-2.5 1,-0.2 4,-0.4 0.976 110.3 53.3 -45.9 -74.2 31.6 51.9 62.4 49 88 A A H 3<5S+ 0 0 75 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.660 110.5 50.3 -36.9 -27.0 28.7 50.2 60.4 50 89 A N T <<5S- 0 0 77 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.181 111.3-108.4-109.7 17.9 28.6 47.4 63.0 51 90 A N T < 5S+ 0 0 147 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.914 72.3 139.9 58.4 47.6 28.4 49.1 66.4 52 91 A I < - 0 0 14 -5,-1.5 -26,-0.2 -4,-0.4 -1,-0.2 -0.950 39.6-150.2-130.8 104.9 32.0 48.1 67.2 53 92 A E E -b 26 0A 131 -28,-3.1 -26,-3.1 -2,-0.5 2,-0.5 -0.409 10.6-129.1 -78.2 147.0 34.1 50.7 69.0 54 93 A I E -b 27 0A 52 -28,-0.2 2,-0.2 -2,-0.1 -26,-0.2 -0.855 31.9-115.9 -93.4 119.8 37.9 51.1 68.8 55 94 A N - 0 0 30 -28,-3.0 -26,-0.4 -2,-0.5 3,-0.1 -0.397 6.8-145.6 -62.5 127.2 39.6 51.3 72.3 56 95 A S S S- 0 0 105 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.735 90.2 -13.7 -65.8 -16.3 41.3 54.7 72.9 57 96 A E S S- 0 0 157 1,-0.3 -1,-0.2 2,-0.1 0, 0.0 -0.858 101.8 -51.2-177.7 166.2 43.7 52.4 74.8 58 97 A N + 0 0 119 -2,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.878 60.9 24.2 -34.8-133.0 43.7 48.7 76.1 59 98 A D + 0 0 104 3,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.562 28.1 111.9 -55.5-166.1 41.5 46.5 78.0 60 99 A P S S- 0 0 73 0, 0.0 2,-5.4 0, 0.0 0, 0.0 0.565 101.5 -54.5 -51.0-173.3 39.8 45.1 79.4 61 100 A N S S+ 0 0 139 -2,-0.2 -37,-0.1 -34,-0.0 3,-0.1 0.067 84.5 162.5 43.3 -20.8 39.3 42.0 78.0 62 101 A S - 0 0 15 -2,-5.4 2,-0.3 1,-0.1 -35,-0.2 -0.088 51.7 -95.2 -42.6 153.3 38.5 43.8 74.7 63 102 A T E -c 27 0A 7 -37,-1.1 -35,-3.8 -4,-0.1 2,-0.6 -0.651 44.2-127.9 -71.9 142.0 38.7 41.7 71.6 64 103 A T E -cd 28 102A 37 37,-2.2 39,-1.7 -2,-0.3 2,-0.5 -0.853 27.5-177.8-107.7 111.5 42.2 42.1 70.2 65 104 A L E -cd 29 103A 2 -37,-3.0 -35,-1.6 -2,-0.6 2,-0.4 -0.966 4.7-177.8-113.4 126.5 42.5 43.1 66.5 66 105 A I E +cd 30 104A 2 37,-3.0 39,-3.0 -2,-0.5 2,-0.3 -0.988 4.5 175.9-133.3 130.7 46.0 43.4 65.0 67 106 A I E + d 0 105A 2 -37,-2.3 -32,-0.4 -2,-0.4 2,-0.3 -0.986 15.4 100.8-145.7 141.7 46.9 44.4 61.5 68 107 A G E - d 0 106A 2 37,-2.3 39,-0.8 -2,-0.3 -36,-0.1 -0.936 54.2 -83.0 165.3 178.8 49.9 45.2 59.2 69 108 A E - 0 0 17 -2,-0.3 5,-0.2 37,-0.2 39,-0.1 0.388 40.3-111.5 -79.5-146.0 52.3 44.0 56.5 70 109 A V S S+ 0 0 23 38,-0.5 38,-0.1 3,-0.1 39,-0.1 0.546 119.3 51.4-122.3 -34.1 55.4 41.9 57.0 71 110 A D S S+ 0 0 116 37,-0.4 38,-0.1 2,-0.1 37,-0.0 0.990 100.4 70.7 -47.1 -82.7 57.8 44.7 56.1 72 111 A D S S- 0 0 37 -38,-0.1 2,-0.3 1,-0.1 -4,-0.1 -0.072 91.0-153.1 -22.1 148.1 55.9 46.6 58.6 73 112 A D + 0 0 138 4,-0.0 -1,-0.1 5,-0.0 -3,-0.1 -0.750 23.7 165.0-154.5 99.4 57.2 44.7 61.6 74 113 A I > - 0 0 32 -2,-0.3 4,-1.2 -5,-0.2 -6,-0.0 -0.865 34.5-138.9-122.9 150.7 55.2 44.4 64.8 75 114 A P H > S+ 0 0 89 0, 0.0 4,-1.9 0, 0.0 5,-0.3 0.949 101.0 49.4 -74.9 -53.4 55.5 42.2 67.9 76 115 A E H > S+ 0 0 85 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.847 105.3 61.9 -56.5 -34.5 51.8 41.3 68.6 77 116 A L H > S+ 0 0 5 2,-0.2 4,-3.3 3,-0.2 5,-0.3 0.978 106.8 42.6 -56.6 -55.0 51.4 40.4 65.0 78 117 A D H X S+ 0 0 96 -4,-1.2 4,-3.0 1,-0.2 5,-0.3 0.936 118.3 42.2 -59.8 -54.7 53.9 37.6 65.2 79 118 A E H < S+ 0 0 140 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.911 115.4 54.4 -56.5 -42.1 52.8 36.1 68.5 80 119 A A H < S+ 0 0 1 -4,-3.0 -2,-0.2 -5,-0.3 -1,-0.2 0.968 110.4 43.1 -53.5 -59.9 49.2 36.6 67.3 81 120 A L H >< S- 0 0 2 -4,-3.3 3,-1.0 -5,-0.2 -1,-0.2 0.876 89.5-173.3 -54.1 -44.9 49.8 34.6 64.1 82 121 A N T 3< S- 0 0 115 -4,-3.0 -3,-0.1 1,-0.3 3,-0.1 0.879 73.3 -3.9 51.2 59.2 51.7 32.1 66.2 83 122 A G T 3 S+ 0 0 84 1,-0.3 2,-0.3 -5,-0.3 -1,-0.3 -0.157 114.6 96.5 120.2 -37.4 53.1 29.8 63.5 84 123 A T < + 0 0 19 -3,-1.0 -1,-0.3 -6,-0.2 2,-0.3 -0.658 45.5 173.9 -90.8 142.9 51.4 31.4 60.4 85 124 A T - 0 0 62 -2,-0.3 3,-0.3 -3,-0.1 9,-0.1 -0.989 35.7-152.1-142.9 150.9 53.1 34.0 58.1 86 125 A A S > S+ 0 0 0 -2,-0.3 3,-0.8 1,-0.1 7,-0.1 0.035 74.3 105.4-101.7 22.1 52.3 35.7 54.9 87 126 A E T 3 S+ 0 0 100 1,-0.2 -1,-0.1 -17,-0.1 -17,-0.1 0.804 77.8 44.0 -75.3 -30.8 56.1 35.9 54.3 88 127 A N T 3 S+ 0 0 149 -3,-0.3 2,-0.3 2,-0.0 -1,-0.2 -0.098 94.8 100.2-108.7 36.4 56.3 33.2 51.6 89 128 A L S < S- 0 0 36 -3,-0.8 4,-0.1 1,-0.1 3,-0.1 -0.782 73.8 -90.8-122.9 161.0 53.3 34.1 49.4 90 129 A K > - 0 0 93 -2,-0.3 3,-1.8 1,-0.1 18,-0.3 -0.073 61.8 -72.8 -55.6 163.0 52.5 35.9 46.1 91 130 A E T 3 S+ 0 0 151 1,-0.2 -1,-0.1 17,-0.1 3,-0.1 -0.246 126.4 32.6 -45.5 152.7 51.8 39.6 45.9 92 131 A E T 3 S+ 0 0 13 1,-0.2 -1,-0.2 45,-0.1 2,-0.1 0.450 93.4 133.0 67.2 4.1 48.3 40.2 47.3 93 132 A G < + 0 0 0 -3,-1.8 15,-3.2 -4,-0.1 16,-0.5 -0.434 28.2 168.5 -80.5 157.2 48.7 37.3 49.7 94 133 A Y E -EF 107 136A 0 42,-2.1 42,-2.2 13,-0.3 2,-0.3 -0.958 25.6-131.1-154.1 171.6 47.9 37.6 53.4 95 134 A A E -EF 106 135A 0 11,-2.7 11,-1.7 -2,-0.3 2,-0.4 -0.970 17.2-174.6-126.2 151.5 47.4 35.6 56.6 96 135 A L E +EF 105 134A 0 38,-2.7 38,-3.0 -2,-0.3 2,-0.4 -0.963 6.1 173.0-145.5 126.3 44.6 35.7 59.1 97 136 A V E -EF 104 133A 1 7,-1.5 7,-2.7 -2,-0.4 2,-0.8 -0.987 16.5-160.8-131.6 127.2 44.2 33.9 62.4 98 137 A S E -E 103 0A 0 34,-1.6 2,-0.5 -2,-0.4 34,-0.4 -0.909 19.3-175.2-100.4 99.5 41.4 34.4 64.9 99 138 A N E > -E 102 0A 57 -2,-0.8 3,-4.3 3,-0.6 -81,-0.1 -0.863 53.5 -71.6 -94.7 127.7 42.9 33.1 68.2 100 139 A D T 3 S- 0 0 121 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.214 127.7 -2.1 -23.4 100.4 40.4 33.0 71.1 101 140 A G T 3 S+ 0 0 24 1,-0.3 -37,-2.2 -3,-0.0 -1,-0.3 -0.269 122.3 93.7 108.2 -48.5 40.3 36.8 71.7 102 141 A K E < -dE 64 99A 90 -3,-4.3 -3,-0.6 -39,-0.2 2,-0.3 -0.500 47.4-175.1 -88.3 147.6 42.9 37.6 69.0 103 142 A I E -dE 65 98A 0 -39,-1.7 -37,-3.0 -5,-0.3 2,-0.5 -0.920 13.3-170.3-140.9 113.5 42.4 38.5 65.3 104 143 A A E +dE 66 97A 0 -7,-2.7 -7,-1.5 -2,-0.3 2,-0.5 -0.928 7.5 179.1-117.5 125.9 45.6 38.8 63.3 105 144 A I E +dE 67 96A 0 -39,-3.0 -37,-2.3 -2,-0.5 2,-0.4 -0.951 10.5 156.6-129.2 110.8 45.9 40.2 59.8 106 145 A E E -dE 68 95A 4 -11,-1.7 -11,-2.7 -2,-0.5 -37,-0.2 -0.986 15.6-169.7-130.4 126.9 49.2 40.5 57.8 107 146 A G E - 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0 0 96 1,-0.1 -1,-0.1 -13,-0.1 -14,-0.1 -0.213 47.6 -97.6 -57.8 153.1 17.3 16.4 7.2 1044 497 B D S S- 0 0 5 1,-0.2 -16,-0.2 -16,-0.1 5,-0.2 -0.453 89.5 -21.9 -74.3 142.8 15.2 19.0 5.5 1045 498 B A S > S- 0 0 0 -18,-3.3 4,-2.5 1,-0.1 3,-0.3 0.649 71.0-179.0 26.7 62.0 16.9 21.0 2.7 1046 499 B P H > S+ 0 0 50 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.864 75.8 54.8 -60.4 -38.9 20.5 20.4 3.9 1047 500 B E H > S+ 0 0 98 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.923 112.2 41.8 -59.4 -46.1 22.1 22.4 1.1 1048 501 B L H > S+ 0 0 5 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.889 110.2 58.9 -71.3 -39.8 20.1 25.5 1.9 1049 502 B R H X S+ 0 0 42 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.888 106.1 49.6 -54.3 -39.7 20.7 24.9 5.6 1050 503 B A H X S+ 0 0 59 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.864 108.8 50.6 -71.7 -34.3 24.4 25.1 4.9 1051 504 B K H X S+ 0 0 60 -4,-1.5 4,-2.2 2,-0.2 -2,-0.2 0.915 109.0 52.5 -66.5 -39.7 24.1 28.4 3.0 1052 505 B M H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.940 108.5 50.9 -57.7 -47.6 22.1 29.8 5.9 1053 506 B D H X S+ 0 0 75 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.888 108.8 50.2 -54.9 -42.7 24.9 28.8 8.3 1054 507 B E H X S+ 0 0 72 -4,-1.7 4,-3.2 1,-0.2 -1,-0.2 0.858 105.0 59.0 -72.8 -30.9 27.5 30.4 6.2 1055 508 B L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.940 109.6 42.1 -56.8 -49.2 25.5 33.6 6.1 1056 509 B W H X S+ 0 0 6 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.883 112.5 55.4 -67.0 -37.7 25.6 33.8 9.9 1057 510 B N H X S+ 0 0 78 -4,-2.5 4,-1.1 -5,-0.2 -2,-0.2 0.941 111.9 43.3 -58.1 -48.5 29.3 32.8 9.8 1058 511 B K H <>S+ 0 0 50 -4,-3.2 5,-3.2 2,-0.2 -2,-0.2 0.902 115.4 47.8 -63.7 -44.8 30.1 35.7 7.4 1059 512 B L H ><5S+ 0 0 8 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.939 111.8 47.5 -65.9 -46.1 27.9 38.3 9.3 1060 513 B S H 3<5S+ 0 0 35 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.731 114.4 48.7 -69.2 -20.6 29.3 37.5 12.8 1061 514 B S T 3<5S- 0 0 66 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.304 112.7-123.7 -92.2 1.5 32.8 37.6 11.3 1062 515 B K T < 5 + 0 0 85 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.881 59.7 148.2 59.6 36.8 31.9 41.0 9.7 1063 516 B E < - 0 0 104 -5,-3.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.781 60.1 -88.5-100.7 151.8 32.8 39.7 6.2 1064 517 B D + 0 0 123 -2,-0.3 4,-0.1 1,-0.1 3,-0.1 -0.358 44.4 175.8 -58.5 131.4 31.0 41.0 3.1 1065 518 B A > + 0 0 6 1,-0.1 4,-3.0 2,-0.1 5,-0.2 0.183 40.3 116.9-124.0 14.9 28.0 38.8 2.5 1066 519 B S H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.841 78.7 46.1 -58.1 -41.2 26.5 40.6 -0.5 1067 520 B A H > S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.884 113.6 47.5 -72.6 -39.9 26.9 37.7 -2.9 1068 521 B L H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.924 111.6 51.4 -68.2 -43.7 25.5 35.0 -0.5 1069 522 B I H X S+ 0 0 11 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.909 108.3 51.2 -53.6 -44.3 22.5 37.2 0.4 1070 523 B E H X S+ 0 0 141 -4,-1.7 4,-1.7 -5,-0.2 -1,-0.2 0.911 110.6 51.3 -63.4 -38.0 21.7 37.7 -3.4 1071 524 B E H X S+ 0 0 85 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.868 106.4 51.9 -68.2 -38.2 21.9 34.0 -3.7 1072 525 B L H X S+ 0 0 0 -4,-2.3 4,-3.2 2,-0.2 5,-0.3 0.908 104.7 55.9 -71.4 -37.8 19.5 33.3 -0.8 1073 526 B Y H X S+ 0 0 55 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.954 107.1 53.0 -51.5 -45.3 16.9 35.8 -2.4 1074 527 B G H X S+ 0 0 41 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.915 110.4 45.7 -55.0 -48.6 17.3 33.4 -5.4 1075 528 B E H X S+ 0 0 61 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.891 114.0 47.4 -62.6 -43.1 16.5 30.4 -3.2 1076 529 B F H X S+ 0 0 2 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.890 112.0 48.7 -71.5 -38.3 13.6 32.0 -1.4 1077 530 B A H X S+ 0 0 60 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.845 111.1 52.8 -64.1 -35.1 12.0 33.2 -4.7 1078 531 B R H X S+ 0 0 70 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.819 107.0 51.2 -71.4 -31.2 12.5 29.8 -6.1 1079 532 B M H X S+ 0 0 4 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.956 113.7 44.5 -65.8 -51.7 10.7 28.1 -3.2 1080 533 B E H X S+ 0 0 51 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.908 113.9 48.5 -63.2 -43.7 7.8 30.4 -3.6 1081 534 B E H X S+ 0 0 98 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.935 110.0 51.9 -65.0 -40.1 7.6 30.1 -7.3 1082 535 B A H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.883 111.1 48.3 -62.2 -37.0 7.8 26.3 -7.3 1083 536 B C H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.888 109.2 52.2 -73.5 -39.1 4.9 26.1 -4.7 1084 537 B N H X S+ 0 0 73 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.948 111.1 48.3 -56.6 -49.4 2.8 28.5 -6.8 1085 538 B N H X S+ 0 0 52 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.888 110.9 50.7 -60.9 -37.4 3.4 26.2 -9.8 1086 539 B L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.894 109.1 50.7 -67.9 -37.8 2.5 23.2 -7.8 1087 540 B K H < S+ 0 0 84 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.2 42.9 -63.9 -39.2 -0.8 24.8 -6.5 1088 541 B A H < S+ 0 0 76 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.814 129.3 22.0 -77.7 -29.4 -1.7 25.6 -10.1 1089 542 B N H < S+ 0 0 94 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.688 83.0 113.1-120.8 -18.4 -0.7 22.3 -11.8 1090 543 B L S < S- 0 0 10 -4,-2.4 -75,-0.0 -5,-0.3 -4,-0.0 -0.261 76.8-103.7 -53.1 136.2 -0.6 19.4 -9.4 1091 544 B P >> - 0 0 78 0, 0.0 4,-2.7 0, 0.0 3,-1.3 -0.364 32.8-114.4 -54.3 148.7 -3.3 16.8 -10.1 1092 545 B E H 3> S+ 0 0 138 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.837 114.5 64.4 -59.3 -35.3 -6.1 17.2 -7.6 1093 546 B V H 34 S+ 0 0 68 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.843 113.7 33.1 -58.7 -33.8 -5.3 13.7 -6.1 1094 547 B A H X> S+ 0 0 3 -3,-1.3 3,-0.9 2,-0.1 4,-0.6 0.872 116.9 54.5 -86.4 -41.3 -1.9 15.0 -5.0 1095 548 B L H >X S+ 0 0 44 -4,-2.7 4,-2.0 1,-0.3 3,-1.2 0.862 98.6 62.7 -62.1 -39.7 -2.9 18.6 -4.3 1096 549 B E H 3< S+ 0 0 136 -4,-2.7 -1,-0.3 1,-0.3 4,-0.2 0.785 104.9 49.1 -57.7 -32.3 -5.7 17.6 -1.9 1097 550 B E H <4 S+ 0 0 30 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.674 124.9 23.2 -82.6 -16.0 -3.0 16.0 0.4 1098 551 B C H XX S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.6 3,-0.6 0.484 78.1 110.7-132.4 4.0 -0.6 19.0 0.5 1099 552 B S H 3X S+ 0 0 46 -4,-2.0 4,-1.9 1,-0.3 5,-0.1 0.794 84.8 48.8 -61.5 -29.2 -2.2 22.3 -0.3 1100 553 B R H 3> S+ 0 0 134 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.893 111.9 50.0 -77.8 -30.8 -1.9 23.6 3.3 1101 554 B Q H <> S+ 0 0 3 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.842 108.5 53.5 -70.9 -32.6 1.8 22.6 3.4 1102 555 B L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.952 111.5 45.1 -63.3 -48.9 2.3 24.3 0.0 1103 556 B D H X S+ 0 0 68 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.870 110.4 54.7 -60.9 -41.8 0.8 27.5 1.5 1104 557 B E H X S+ 0 0 5 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.849 108.5 48.2 -59.0 -42.6 2.9 27.1 4.7 1105 558 B L H X S+ 0 0 0 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.837 108.6 53.5 -74.8 -29.9 6.1 26.9 2.7 1106 559 B I H X S+ 0 0 13 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.912 110.0 48.4 -64.3 -44.6 5.2 30.0 0.6 1107 560 B T H X S+ 0 0 22 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.939 113.2 47.9 -58.6 -46.8 4.6 31.9 3.9 1108 561 B L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.953 110.6 50.8 -61.5 -49.1 8.0 30.7 5.2 1109 562 B A H X S+ 0 0 1 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.931 110.7 49.1 -54.2 -43.9 9.7 31.7 1.9 1110 563 B Q H X S+ 0 0 56 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.839 112.4 48.5 -62.9 -32.7 8.1 35.2 2.1 1111 564 B G H X S+ 0 0 0 -4,-1.9 4,-1.5 -3,-0.3 -2,-0.2 0.821 109.6 52.0 -77.0 -32.5 9.3 35.5 5.8 1112 565 B D H X S+ 0 0 0 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.883 110.5 49.5 -66.2 -41.7 12.8 34.3 4.8 1113 566 B K H X S+ 0 0 89 -4,-2.1 4,-2.3 -5,-0.3 -2,-0.2 0.962 111.5 46.4 -62.9 -52.6 12.9 37.0 2.1 1114 567 B A H X S+ 0 0 3 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.830 108.1 59.4 -60.2 -30.7 11.7 39.7 4.5 1115 568 B S H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.940 104.9 48.0 -63.0 -46.3 14.4 38.4 6.9 1116 569 B L H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.949 110.0 52.6 -56.8 -45.7 17.0 39.1 4.2 1117 570 B D H X S+ 0 0 45 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.872 108.2 52.6 -55.9 -37.6 15.5 42.6 3.8 1118 571 B M H X S+ 0 0 0 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.911 109.6 47.5 -67.3 -43.8 15.8 43.0 7.6 1119 572 B I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.944 112.0 49.1 -62.0 -50.2 19.5 42.1 7.5 1120 573 B V H X S+ 0 0 45 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.937 108.5 53.9 -55.0 -45.4 20.4 44.4 4.6 1121 574 B A H <>S+ 0 0 5 -4,-2.2 5,-3.1 -5,-0.2 -1,-0.2 0.872 108.3 49.0 -61.8 -38.7 18.6 47.3 6.3 1122 575 B Q H ><5S+ 0 0 13 -4,-1.6 3,-1.1 3,-0.2 -1,-0.2 0.927 112.0 49.0 -64.8 -47.3 20.7 46.9 9.5 1123 576 B L H 3<5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.824 114.2 45.7 -59.4 -34.1 23.9 46.7 7.4 1124 577 B N T 3<5S- 0 0 118 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.491 109.8-129.2 -85.4 -0.2 22.7 49.9 5.5 1125 578 B E T < 5 + 0 0 135 -3,-1.1 2,-0.9 -5,-0.2 -3,-0.2 0.853 55.8 152.4 53.3 35.9 21.8 51.4 8.9 1126 579 B D >< - 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