==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-OCT-08 2V5C . COMPND 2 MOLECULE: O-GLCNACASE NAGJ; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM PERFRINGENS; . AUTHOR E.FICKO-BLEAN,K.J.GREGG,J.J.ADAMS,J.H.HEHEMANN,S.J.SMITH, . 1168 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 46124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 842 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 106 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 4.7 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 . 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 . 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 . 75 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 441 37.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 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 4 0 0 2 2 2 2 2 0 7 5 1 3 0 1 1 2 0 0 0 2 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 2 6 4 8 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 PARALLEL BRIDGES PER LADDER . 2 6 0 4 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 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 41 A V 0 0 76 0, 0.0 129,-0.3 0, 0.0 16,-0.1 0.000 360.0 360.0 360.0 127.4 34.7 29.7 10.9 2 42 A L - 0 0 162 1,-0.1 16,-0.0 127,-0.1 0, 0.0 -0.218 360.0-100.6 -72.8 160.2 34.8 28.6 14.6 3 43 A V - 0 0 51 125,-0.1 3,-0.1 1,-0.0 -1,-0.1 -0.763 41.6-138.5 -79.6 119.7 32.9 30.1 17.5 4 44 A P - 0 0 28 0, 0.0 2,-0.2 0, 0.0 117,-0.1 -0.099 39.3 -68.6 -63.8 172.9 35.3 32.3 19.5 5 45 A N - 0 0 73 417,-0.1 2,-0.4 116,-0.0 4,-0.0 -0.479 58.0-161.4 -58.6 135.8 35.4 32.4 23.3 6 46 A L - 0 0 14 -2,-0.2 112,-0.1 -3,-0.1 416,-0.0 -0.976 6.8-137.9-126.4 138.8 32.2 33.9 24.7 7 47 A N S S+ 0 0 0 -2,-0.4 2,-0.2 160,-0.2 399,-0.1 -0.945 88.8 26.4-143.7 128.3 31.3 35.3 28.1 8 48 A P S S- 0 0 0 0, 0.0 -1,-0.2 0, 0.0 398,-0.1 0.598 100.6-115.6 -65.7 165.1 28.8 34.8 29.5 9 49 A T - 0 0 46 -2,-0.2 404,-0.1 401,-0.1 -2,-0.1 -0.610 34.2-119.0 -68.1 119.9 28.0 31.4 27.9 10 50 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 125,-0.1 -0.351 14.0-126.2 -59.4 142.1 24.8 31.9 25.9 11 51 A E S S+ 0 0 46 1,-0.2 2,-0.4 125,-0.1 124,-0.2 0.919 94.7 20.5 -51.6 -50.7 21.9 29.7 27.0 12 52 A N E +A 134 0A 75 122,-1.7 122,-0.8 2,-0.0 2,-0.4 -0.988 67.7 165.1-129.8 128.2 21.4 28.2 23.5 13 53 A L E +A 133 0A 66 -2,-0.4 2,-0.4 120,-0.2 120,-0.2 -0.953 5.8 178.3-145.8 122.7 23.9 28.1 20.6 14 54 A E E -A 132 0A 111 118,-1.8 118,-1.9 -2,-0.4 2,-0.7 -0.993 27.3-134.4-125.1 128.2 23.7 26.1 17.5 15 55 A V E +A 131 0A 83 -2,-0.4 116,-0.3 116,-0.2 3,-0.0 -0.754 31.7 170.7 -80.5 117.1 26.2 26.2 14.6 16 56 A V + 0 0 58 114,-2.6 2,-0.2 -2,-0.7 115,-0.2 0.495 54.1 10.5-114.2 -8.3 24.0 26.4 11.6 17 57 A G S S- 0 0 27 113,-1.3 113,-0.3 -16,-0.1 3,-0.1 -0.871 81.6 -89.1-156.2-175.0 26.5 27.2 8.7 18 58 A D S S- 0 0 145 -2,-0.2 2,-0.1 1,-0.2 -3,-0.0 0.626 72.5-109.3 -80.3 -15.8 30.1 27.4 7.7 19 59 A G - 0 0 18 110,-0.1 2,-0.3 78,-0.1 -1,-0.2 -0.146 31.6-129.0 99.4 158.0 30.4 31.1 8.7 20 60 A F E -G 128 0B 30 108,-2.3 108,-2.5 -2,-0.1 2,-0.5 -0.954 12.7-110.8-142.1 165.1 30.8 34.1 6.5 21 61 A K E -G 127 0B 129 -2,-0.3 106,-0.2 106,-0.2 2,-0.2 -0.851 31.6-127.8 -98.3 123.2 32.9 37.3 6.0 22 62 A I - 0 0 8 104,-3.2 4,-0.1 -2,-0.5 39,-0.0 -0.498 32.4-114.4 -65.1 136.4 31.3 40.6 6.8 23 63 A T - 0 0 48 -2,-0.2 -1,-0.1 2,-0.2 38,-0.1 -0.272 23.5-106.3 -73.1 159.5 31.6 43.0 3.9 24 64 A S S S+ 0 0 108 27,-0.1 28,-2.0 1,-0.1 2,-0.3 0.755 110.3 28.3 -59.7 -26.6 33.7 46.3 4.1 25 65 A S E S-b 52 0A 34 26,-0.2 37,-0.7 28,-0.0 2,-0.3 -0.976 82.6-155.8-133.3 145.9 30.5 48.2 4.2 26 66 A I E -bc 53 62A 4 26,-2.7 28,-3.1 -2,-0.3 2,-0.5 -0.863 20.5-116.1-128.3 157.8 27.1 47.0 5.6 27 67 A N E - c 0 63A 4 35,-3.4 37,-3.0 -2,-0.3 2,-0.6 -0.795 29.5-156.9 -84.1 125.9 23.4 47.5 5.4 28 68 A L E - c 0 64A 21 -2,-0.5 2,-0.5 26,-0.4 37,-0.2 -0.938 13.1-178.8-109.3 119.2 22.0 48.7 8.7 29 69 A V E + c 0 65A 21 35,-2.8 37,-2.7 -2,-0.6 44,-0.0 -0.969 61.1 13.6-120.7 118.9 18.3 48.0 9.3 30 70 A G S >> S+ 0 0 6 -2,-0.5 4,-2.5 35,-0.2 3,-1.1 0.429 71.5 127.5 112.1 -0.2 16.4 49.1 12.4 31 71 A E T 34 S+ 0 0 61 1,-0.3 8,-0.1 2,-0.2 -2,-0.1 0.762 72.3 60.6 -67.5 -24.9 18.7 51.6 14.1 32 72 A E T 34 S+ 0 0 159 1,-0.1 -1,-0.3 7,-0.0 4,-0.1 0.799 117.0 29.8 -68.4 -32.4 15.9 54.1 14.3 33 73 A E T <4 S+ 0 0 94 -3,-1.1 -2,-0.2 33,-0.2 3,-0.2 0.855 101.6 91.5 -92.0 -43.1 13.7 51.8 16.4 34 74 A A S < S- 0 0 7 -4,-2.5 5,-0.1 32,-0.4 75,-0.1 0.062 95.1 -66.1 -66.0 166.3 16.2 49.7 18.3 35 75 A D > - 0 0 30 1,-0.1 4,-2.4 73,-0.1 3,-0.2 -0.252 42.4-140.3 -55.5 124.3 17.6 50.5 21.8 36 76 A E H > S+ 0 0 144 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.929 102.1 47.9 -53.1 -54.7 19.7 53.7 21.5 37 77 A N H > S+ 0 0 37 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.833 112.9 50.8 -54.1 -37.8 22.4 52.4 23.9 38 78 A A H > S+ 0 0 0 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.857 111.3 46.6 -67.3 -40.8 22.5 49.1 22.0 39 79 A V H X S+ 0 0 8 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.908 110.0 53.9 -68.6 -44.1 22.9 51.0 18.6 40 80 A N H X S+ 0 0 77 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.842 108.3 50.0 -56.8 -38.6 25.6 53.2 20.1 41 81 A A H X S+ 0 0 7 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.865 111.4 48.8 -68.7 -39.2 27.5 50.1 21.1 42 82 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.960 111.2 49.1 -63.6 -50.3 27.1 48.6 17.6 43 83 A R H X S+ 0 0 94 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.854 109.6 52.7 -56.7 -41.1 28.3 51.9 16.0 44 84 A E H X S+ 0 0 96 -4,-1.8 4,-2.3 -5,-0.2 -1,-0.2 0.882 111.4 46.8 -62.1 -42.3 31.3 52.0 18.3 45 85 A F H X S+ 0 0 24 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.976 110.8 50.3 -62.2 -56.7 32.3 48.4 17.4 46 86 A L H <>S+ 0 0 3 -4,-2.7 5,-3.3 1,-0.2 4,-0.2 0.829 113.0 47.6 -53.8 -39.2 31.9 49.0 13.6 47 87 A T H ><5S+ 0 0 114 -4,-2.0 3,-2.1 -5,-0.2 -1,-0.2 0.974 110.6 49.5 -65.4 -55.7 34.1 52.1 13.8 48 88 A A H 3<5S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.721 116.6 45.6 -56.4 -22.7 36.8 50.4 15.8 49 89 A N T 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.334 113.7-114.0-105.9 5.7 36.7 47.6 13.3 50 90 A N T < 5 + 0 0 133 -3,-2.1 2,-0.6 1,-0.2 -3,-0.2 0.888 65.1 144.5 65.5 41.9 36.7 49.6 10.1 51 91 A I < - 0 0 7 -5,-3.3 -26,-0.2 -6,-0.1 -1,-0.2 -0.950 35.6-152.4-114.3 111.6 33.2 48.6 9.0 52 92 A E E -b 25 0A 130 -28,-2.0 -26,-2.7 -2,-0.6 2,-0.5 -0.424 10.2-127.3 -81.6 155.5 31.3 51.4 7.2 53 93 A I E -b 26 0A 57 -28,-0.2 2,-0.2 -2,-0.1 -26,-0.2 -0.904 25.7-122.4-102.1 130.7 27.5 51.8 7.2 54 94 A N - 0 0 39 -28,-3.1 -26,-0.4 -2,-0.5 3,-0.1 -0.509 5.6-151.1 -68.7 137.1 25.9 52.2 3.7 55 95 A S S S+ 0 0 120 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.744 89.6 34.3 -74.6 -25.0 23.8 55.3 3.2 56 96 A E S S- 0 0 149 -3,-0.0 -1,-0.2 2,-0.0 2,-0.1 -0.989 98.5 -98.1-134.4 140.4 21.8 53.2 0.7 57 97 A N - 0 0 111 -2,-0.3 6,-0.1 -3,-0.1 -30,-0.0 -0.322 35.7-175.9 -60.2 127.7 20.9 49.6 0.7 58 98 A D > - 0 0 65 4,-0.1 3,-1.9 -2,-0.1 -31,-0.1 -0.986 21.6-148.2-126.1 117.0 23.1 47.3 -1.5 59 99 A P T 3 S+ 0 0 115 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.545 98.2 61.5 -65.8 -5.8 22.0 43.6 -1.7 60 100 A N T 3 S+ 0 0 138 2,-0.1 2,-0.1 -34,-0.0 3,-0.1 0.657 91.2 85.8 -87.8 -21.1 25.7 42.7 -2.0 61 101 A S S < S- 0 0 17 -3,-1.9 -35,-0.2 1,-0.1 2,-0.1 -0.410 92.9 -97.2 -76.7 154.0 26.5 44.1 1.4 62 102 A T E -c 26 0A 4 -37,-0.7 -35,-3.4 -2,-0.1 2,-0.5 -0.464 40.1-136.1 -61.4 140.2 26.1 42.2 4.7 63 103 A T E -cd 27 101A 21 37,-2.7 39,-3.0 -37,-0.2 2,-0.6 -0.943 17.3-169.2-108.6 124.6 22.8 43.1 6.3 64 104 A L E -cd 28 102A 2 -37,-3.0 -35,-2.8 -2,-0.5 2,-0.5 -0.956 7.2-170.6-108.6 111.8 22.6 43.8 10.1 65 105 A I E +cd 29 103A 2 37,-2.8 39,-2.9 -2,-0.6 2,-0.4 -0.928 8.0 179.0-107.3 123.0 19.1 44.0 11.3 66 106 A I E + d 0 104A 0 -37,-2.7 -32,-0.4 -2,-0.5 2,-0.3 -0.953 17.9 106.2-125.5 139.6 18.5 45.2 14.9 67 107 A G E - d 0 105A 0 37,-1.9 39,-2.0 -2,-0.4 2,-0.2 -0.982 52.2 -87.4 178.3-175.6 15.4 45.8 17.1 68 108 A E E > - d 0 106A 25 -2,-0.3 3,-0.8 37,-0.2 39,-0.2 -0.646 39.8-106.4-106.9 167.3 13.1 44.7 19.9 69 109 A V T 3 S+ 0 0 37 37,-2.0 38,-0.1 1,-0.2 39,-0.1 0.862 118.3 59.7 -55.9 -37.0 10.2 42.3 20.1 70 110 A D T 3 S+ 0 0 141 37,-0.2 -1,-0.2 2,-0.1 2,-0.1 0.733 91.1 85.5 -62.1 -32.7 7.9 45.4 20.3 71 111 A D S < S- 0 0 27 -3,-0.8 2,-0.7 1,-0.1 -4,-0.0 -0.340 76.3-131.7 -75.1 152.2 9.0 46.8 17.1 72 112 A D + 0 0 148 -2,-0.1 -2,-0.1 4,-0.0 -3,-0.1 -0.927 43.4 148.9-108.3 102.5 7.6 46.0 13.8 73 113 A I >> - 0 0 10 -2,-0.7 4,-1.6 -5,-0.1 3,-0.6 -0.913 27.5-168.2-132.3 104.7 10.4 45.3 11.5 74 114 A P H 3> S+ 0 0 93 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.800 90.2 59.6 -65.1 -31.7 9.7 42.7 8.7 75 115 A E H 3> S+ 0 0 100 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.808 104.9 51.3 -62.3 -32.8 13.4 42.5 7.8 76 116 A L H <> S+ 0 0 2 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.936 110.3 46.8 -68.4 -48.6 14.0 41.3 11.4 77 117 A D H X>S+ 0 0 99 -4,-1.6 4,-0.8 1,-0.2 5,-0.7 0.854 114.2 49.3 -61.6 -37.9 11.3 38.6 11.2 78 118 A E H ><5S+ 0 0 103 -4,-2.2 3,-0.7 1,-0.2 -1,-0.2 0.942 112.1 45.6 -66.2 -50.7 12.7 37.5 7.8 79 119 A A H 3<5S+ 0 0 11 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.759 107.2 58.3 -70.0 -26.7 16.3 37.2 8.9 80 120 A L H ><5S- 0 0 5 -4,-1.8 3,-1.3 -5,-0.1 -1,-0.2 0.755 90.1-153.8 -73.5 -25.6 15.5 35.4 12.2 81 121 A N T <<5S- 0 0 139 -4,-0.8 -3,-0.1 -3,-0.7 3,-0.1 0.909 73.3 -33.1 51.1 53.5 13.8 32.6 10.2 82 122 A G T 3 S+ 0 0 0 -2,-0.3 3,-1.6 1,-0.1 7,-0.1 0.382 76.4 103.7 -94.5 -1.9 13.0 36.7 21.7 86 126 A E T 3 S+ 0 0 117 1,-0.3 -1,-0.1 -17,-0.1 6,-0.0 0.852 83.1 40.2 -48.3 -48.0 9.2 36.9 22.3 87 127 A N T 3 S+ 0 0 120 -3,-0.2 -1,-0.3 2,-0.0 2,-0.1 0.445 97.0 107.5 -86.1 0.3 9.0 34.1 24.8 88 128 A L S < S- 0 0 14 -3,-1.6 3,-0.1 1,-0.1 4,-0.1 -0.401 71.0-109.4 -86.2 153.7 12.2 35.0 26.7 89 129 A K > - 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0 0 96 -13,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.285 47.7 -99.7 -61.5 149.2 43.1 25.7 46.0 457 497 A D S S- 0 0 5 1,-0.2 -16,-0.2 -16,-0.2 5,-0.2 -0.473 88.8 -16.0 -71.5 141.9 46.3 27.1 44.5 458 498 A A S > S+ 0 0 0 -18,-3.3 4,-2.5 1,-0.1 3,-0.2 0.688 72.4 179.1 40.1 53.8 48.1 25.1 41.7 459 499 A P H > S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.862 75.2 51.5 -59.1 -38.2 46.3 21.8 42.5 460 500 A E H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.909 111.4 47.5 -68.5 -41.1 48.0 19.8 39.8 461 501 A L H > S+ 0 0 4 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.927 109.5 54.7 -63.3 -45.2 51.4 20.9 41.0 462 502 A R H X S+ 0 0 37 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.915 107.2 50.8 -48.8 -48.2 50.4 20.1 44.5 463 503 A A H X S+ 0 0 58 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.894 109.2 49.5 -64.0 -40.9 49.5 16.6 43.4 464 504 A K H X S+ 0 0 55 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.865 110.6 51.2 -63.3 -40.0 52.9 16.0 41.6 465 505 A M H X S+ 0 0 0 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.897 109.8 49.3 -61.3 -45.3 54.7 17.2 44.8 466 506 A D H X S+ 0 0 86 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.891 109.0 53.2 -62.0 -41.7 52.7 14.8 46.9 467 507 A E H X S+ 0 0 87 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.878 106.5 53.7 -60.8 -40.4 53.6 12.0 44.5 468 508 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.936 109.6 45.7 -59.1 -49.7 57.3 12.9 44.8 469 509 A W H X S+ 0 0 11 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.874 113.6 52.3 -63.1 -32.3 57.2 12.6 48.6 470 510 A N H < S+ 0 0 98 -4,-2.0 4,-0.5 2,-0.2 -2,-0.2 0.952 112.0 42.6 -69.7 -50.3 55.3 9.3 48.2 471 511 A K H ><>S+ 0 0 51 -4,-2.9 5,-2.8 1,-0.2 3,-0.9 0.926 115.0 50.5 -57.7 -49.7 57.8 7.7 45.8 472 512 A L H ><5S+ 0 0 10 -4,-2.4 3,-0.8 1,-0.3 -1,-0.2 0.829 112.5 45.2 -63.9 -36.7 60.8 8.9 47.8 473 513 A S T 3<5S+ 0 0 30 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.495 112.3 54.6 -84.8 -2.7 59.5 7.6 51.1 474 514 A S T < 5S- 0 0 52 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.173 113.2-114.5-108.7 16.5 58.5 4.3 49.3 475 515 A K T < 5S+ 0 0 121 -3,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.844 70.1 143.7 51.5 36.2 62.0 3.6 47.9 476 516 A E < - 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0 0 23 10,-0.2 2,-0.4 -75,-0.1 10,-0.2 -0.622 56.3-166.8 -83.1 125.0 53.3 16.1 68.2 1030 485 B M E +L 1038 0L 0 8,-2.7 8,-2.2 -2,-0.4 2,-0.2 -0.905 20.7 149.9-110.2 134.5 55.9 15.0 65.6 1031 486 B D E -L 1037 0L 28 -2,-0.4 6,-0.2 6,-0.2 4,-0.1 -0.722 29.5-169.9-170.7 109.1 55.4 15.9 61.9 1032 487 B N - 0 0 1 4,-2.2 -454,-0.2 -2,-0.2 3,-0.1 0.361 53.7-113.3 -83.2 3.9 58.1 16.5 59.2 1033 488 B K S S+ 0 0 96 3,-0.4 -458,-0.1 1,-0.2 4,-0.1 0.433 96.6 48.5 76.0 3.3 55.4 17.8 56.9 1034 489 B T S S- 0 0 27 2,-0.3 -1,-0.2 -459,-0.1 -458,-0.0 0.083 120.7 -12.8-127.7-116.5 55.8 14.9 54.5 1035 490 B W S S+ 0 0 52 -3,-0.1 2,-0.5 -566,-0.1 -119,-0.4 0.606 113.2 68.9 -68.9 -20.4 55.9 11.1 55.2 1036 491 B A + 0 0 0 -89,-0.1 -4,-2.2 -121,-0.1 -3,-0.4 -0.919 50.4 139.7-119.9 116.6 56.3 11.1 59.0 1037 492 B K E +L 1031 0L 81 -121,-1.3 2,-0.3 -2,-0.5 -6,-0.2 -0.969 10.8 141.7-152.6 139.7 53.8 12.1 61.6 1038 493 B S E +L 1030 0L 2 -8,-2.2 -8,-2.7 -2,-0.3 -120,-0.2 -0.947 25.5 66.5-169.7 150.7 52.8 10.7 65.1 1039 494 B G S S- 0 0 2 -121,-0.4 -10,-0.2 -81,-0.3 3,-0.1 -0.160 76.1 -56.8 118.5 154.4 51.7 11.8 68.5 1040 495 B R S S- 0 0 9 -84,-0.4 3,-0.1 -12,-0.2 -12,-0.1 -0.369 71.2 -94.2 -56.5 140.9 49.1 13.5 70.6 1041 496 B E - 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0 0 86 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.804 60.2 -96.8 -98.3 143.7 31.8 39.2 71.2 1062 517 B D + 0 0 122 -2,-0.4 4,-0.1 1,-0.1 -1,-0.1 -0.271 39.1 178.2 -55.3 139.2 33.6 40.5 74.2 1063 518 B A > + 0 0 6 2,-0.1 4,-2.8 1,-0.1 5,-0.2 0.166 41.0 117.4-131.8 12.6 36.8 38.6 74.8 1064 519 B S H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.831 78.2 50.2 -55.8 -36.1 38.3 40.3 77.8 1065 520 B A H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.926 113.4 44.1 -72.1 -43.5 38.1 37.2 80.0 1066 521 B L H > S+ 0 0 9 2,-0.2 4,-3.2 1,-0.2 -2,-0.2 0.884 111.8 53.5 -67.3 -41.3 39.8 35.0 77.5 1067 522 B I H X S+ 0 0 13 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.968 111.8 45.2 -55.9 -52.8 42.5 37.6 76.7 1068 523 B E H X S+ 0 0 153 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.904 113.5 51.1 -55.4 -45.7 43.3 37.8 80.5 1069 524 B E H X S+ 0 0 86 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.901 110.1 49.0 -57.3 -46.3 43.3 34.0 80.6 1070 525 B L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.865 104.5 57.9 -68.0 -36.0 45.7 33.7 77.7 1071 526 B Y H X S+ 0 0 62 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.899 108.1 48.5 -56.2 -43.4 48.2 36.3 79.1 1072 527 B G H X S+ 0 0 41 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.851 109.9 51.2 -66.4 -37.0 48.4 34.1 82.2 1073 528 B E H X S+ 0 0 70 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.912 113.5 44.3 -64.5 -43.2 49.0 30.9 80.1 1074 529 B F H X S+ 0 0 1 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.879 112.8 50.8 -71.9 -41.0 51.8 32.6 78.1 1075 530 B A H X S+ 0 0 56 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.866 109.5 53.5 -57.1 -40.3 53.4 34.0 81.3 1076 531 B R H X S+ 0 0 61 -4,-1.9 4,-2.7 2,-0.2 5,-0.3 0.841 103.1 54.9 -66.2 -37.0 53.2 30.5 82.7 1077 532 B M H X S+ 0 0 4 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.945 113.1 43.7 -58.5 -48.5 55.0 28.9 79.7 1078 533 B E H X S+ 0 0 60 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.900 114.6 49.3 -61.6 -45.3 57.9 31.4 80.3 1079 534 B E H X S+ 0 0 121 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.927 113.0 45.1 -64.1 -50.5 57.8 31.0 84.1 1080 535 B A H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.905 114.7 48.7 -57.6 -47.5 57.9 27.1 84.0 1081 536 B C H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.3 -2,-0.2 0.862 110.1 51.5 -65.9 -39.9 60.7 27.1 81.3 1082 537 B N H X S+ 0 0 75 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.903 110.1 49.2 -60.7 -43.9 62.8 29.6 83.2 1083 538 B N H X S+ 0 0 52 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.859 111.0 50.8 -61.4 -37.6 62.5 27.4 86.4 1084 539 B L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.887 106.7 53.1 -67.0 -42.5 63.5 24.4 84.3 1085 540 B K H < S+ 0 0 85 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.812 116.8 40.8 -58.8 -33.0 66.6 26.2 82.9 1086 541 B A H < S+ 0 0 76 -4,-1.3 -2,-0.2 -5,-0.1 -1,-0.2 0.746 128.8 24.5 -87.7 -26.0 67.6 26.9 86.5 1087 542 B N H < S+ 0 0 91 -4,-1.7 -3,-0.2 -5,-0.1 -2,-0.2 0.559 83.2 110.8-126.5 -12.1 66.7 23.6 88.2 1088 543 B L S < S- 0 0 12 -4,-2.5 -75,-0.0 -5,-0.2 -4,-0.0 -0.450 76.3-102.9 -60.3 135.5 66.7 20.7 85.8 1089 544 B P >> - 0 0 73 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.273 34.2-110.7 -47.0 147.8 69.6 18.2 86.3 1090 545 B E H 3> S+ 0 0 139 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.840 115.3 62.4 -54.9 -37.8 72.4 18.6 83.7 1091 546 B V H 34 S+ 0 0 67 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.876 112.6 34.7 -58.9 -42.7 71.5 15.2 82.1 1092 547 B A H X> S+ 0 0 2 -3,-0.6 3,-1.1 2,-0.1 4,-1.1 0.900 116.0 56.3 -76.4 -44.1 68.0 16.4 81.2 1093 548 B L H 3X S+ 0 0 43 -4,-2.5 4,-1.8 1,-0.3 3,-0.5 0.853 98.6 58.9 -58.2 -41.5 69.0 20.1 80.5 1094 549 B E H 3< S+ 0 0 131 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.1 0.716 108.7 47.9 -63.2 -21.3 71.7 19.2 77.9 1095 550 B E H <4 S+ 0 0 25 -3,-1.1 -1,-0.2 -4,-0.3 -2,-0.2 0.737 125.4 24.1 -88.6 -28.4 69.0 17.5 75.8 1096 551 B C H X S+ 0 0 0 -4,-1.1 4,-2.3 -3,-0.5 3,-0.4 0.321 81.2 109.9-123.2 6.3 66.3 20.3 76.0 1097 552 B S H X S+ 0 0 46 -4,-1.8 4,-1.9 1,-0.2 5,-0.1 0.885 85.3 46.6 -55.9 -41.7 68.1 23.6 76.6 1098 553 B R H > S+ 0 0 123 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.832 111.6 50.6 -70.5 -33.4 67.4 25.0 73.1 1099 554 B Q H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.834 107.8 53.4 -75.3 -33.9 63.7 23.9 73.1 1100 555 B L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.955 111.1 46.3 -58.1 -52.9 63.1 25.6 76.5 1101 556 B D H X S+ 0 0 67 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.881 111.3 53.6 -54.4 -43.9 64.6 28.9 75.1 1102 557 B E H X S+ 0 0 9 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.905 108.0 48.2 -60.4 -46.1 62.4 28.3 72.0 1103 558 B L H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.884 111.2 51.0 -67.4 -35.6 59.2 28.0 74.1 1104 559 B I H X S+ 0 0 15 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.948 110.4 49.6 -60.1 -50.1 60.1 31.2 76.0 1105 560 B T H X S+ 0 0 22 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.895 113.4 46.4 -54.7 -43.6 60.7 33.0 72.7 1106 561 B L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.900 110.3 52.2 -69.1 -43.1 57.3 31.8 71.5 1107 562 B A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.850 109.5 50.4 -56.4 -41.1 55.5 32.7 74.7 1108 563 B Q H X S+ 0 0 51 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.878 112.1 47.5 -65.6 -39.5 57.0 36.2 74.5 1109 564 B G H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.849 110.1 53.0 -66.4 -38.2 55.7 36.3 70.9 1110 565 B D H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -2,-0.2 0.880 108.9 49.2 -64.0 -42.1 52.3 35.0 72.1 1111 566 B K H X S+ 0 0 95 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.925 111.0 49.7 -61.2 -47.7 52.1 37.8 74.7 1112 567 B A H X S+ 0 0 2 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.788 105.8 57.6 -62.7 -31.3 53.0 40.4 72.0 1113 568 B S H X S+ 0 0 0 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.906 107.2 47.4 -64.7 -44.4 50.3 39.0 69.8 1114 569 B L H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.3 0.907 108.1 56.2 -60.4 -43.0 47.7 39.6 72.6 1115 570 B D H X S+ 0 0 45 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.843 105.8 51.1 -56.2 -39.0 49.3 43.1 72.9 1116 571 B M H X S+ 0 0 0 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.883 111.0 48.5 -64.7 -39.8 48.5 43.7 69.2 1117 572 B I H X S+ 0 0 2 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.953 113.0 45.7 -66.6 -48.4 44.9 42.6 69.7 1118 573 B V H X S+ 0 0 40 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.884 110.9 54.9 -62.6 -37.5 44.4 44.8 72.7 1119 574 B A H <>S+ 0 0 5 -4,-2.0 5,-3.1 -5,-0.3 4,-0.2 0.850 108.5 47.5 -65.4 -35.0 46.0 47.7 70.9 1120 575 B Q H ><5S+ 0 0 19 -4,-1.6 3,-0.9 3,-0.2 -1,-0.2 0.905 110.9 52.0 -70.0 -40.3 43.6 47.3 68.0 1121 576 B L H 3<5S+ 0 0 84 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.854 114.7 42.4 -60.1 -38.7 40.7 47.2 70.5 1122 577 B N T 3<5S- 0 0 114 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.453 110.2-125.4 -84.2 -3.3 42.0 50.4 72.0 1123 578 B E T < 5 + 0 0 172 -3,-0.9 2,-0.9 -4,-0.2 -3,-0.2 0.829 56.2 155.3 56.3 38.1 42.6 51.9 68.6 1124 579 B D >< - 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0 0 3 -49,-0.1 2,-0.4 1,-0.0 -196,-0.2 -0.226 60.6-164.0 -64.0 147.1 64.9 23.9 67.9 1148 603 B V + 0 0 29 -198,-1.9 -196,-0.5 -199,-0.1 2,-0.3 -0.999 18.4 151.1-135.8 133.5 61.3 23.2 67.1 1149 604 B I + 0 0 1 -2,-0.4 -122,-0.2 -198,-0.1 6,-0.2 -0.984 59.9 1.0-156.1 146.7 58.3 23.3 69.4 1150 605 B S > > + 0 0 0 -124,-1.8 5,-2.4 -2,-0.3 3,-1.7 0.725 63.9 167.3 52.0 36.2 54.6 23.9 69.4 1151 606 B E T 3 >S+ 0 0 34 1,-0.3 5,-1.5 4,-0.2 -1,-0.1 0.868 75.9 37.9 -47.8 -46.9 54.4 24.6 65.6 1152 607 B K T 3 5S+ 0 0 108 3,-0.2 -1,-0.3 4,-0.1 -2,-0.1 0.405 129.7 27.8 -91.5 0.8 50.6 24.5 65.4 1153 608 B V T <>5S+ 0 0 3 -3,-1.7 4,-2.2 -127,-0.1 5,-0.2 0.526 129.1 18.6-125.2 -88.6 49.9 26.2 68.7 1154 609 B A H >5S+ 0 0 0 2,-0.2 4,-0.7 1,-0.2 -3,-0.2 0.868 133.9 40.7 -60.4 -38.5 52.4 28.7 70.2 1155 610 B Q H >>< S+ 0 0 1 -4,-2.6 3,-0.6 1,-0.2 -2,-0.2 0.867 110.2 55.2 -69.0 -39.8 47.6 37.4 65.1 1162 617 B L H 3< S+ 0 0 22 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.910 111.8 44.0 -57.4 -44.2 50.0 39.0 62.6 1163 618 B S H 3< S+ 0 0 27 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.2 0.541 97.2 99.9 -77.4 -7.1 47.5 38.3 59.8 1164 619 B F << - 0 0 1 -3,-0.6 2,-0.4 -4,-0.5 -801,-0.0 -0.614 48.8-174.6 -88.2 140.3 44.5 39.4 61.9 1165 620 B D > - 0 0 49 -2,-0.3 3,-1.5 1,-0.1 4,-0.2 -0.890 12.1-166.8-139.8 104.6 43.0 42.9 61.5 1166 621 B L G > S+ 0 0 43 -2,-0.4 3,-1.8 1,-0.3 -1,-0.1 0.766 82.7 70.5 -58.7 -32.2 40.2 44.0 63.9 1167 622 B T G 3 S+ 0 0 88 1,-0.3 -1,-0.3 2,-0.2 -46,-0.0 0.622 91.8 59.5 -68.1 -13.0 39.2 47.0 61.8 1168 623 B L G < 0 0 22 -3,-1.5 -1,-0.3 1,-0.1 -2,-0.2 0.550 360.0 360.0 -91.8 -7.3 37.7 44.7 59.2 1169 624 B I < 0 0 42 -3,-1.8 -2,-0.2 -4,-0.2 -1,-0.1 0.944 360.0 360.0 -89.1 360.0 35.2 43.1 61.6