==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-JAN-13 4IPN . COMPND 2 MOLECULE: 6-PHOSPHO-BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR W.L.YU,Y.L JIANG,P.ANDREAS,W.CHENG,X.H.BAI,Y.M.REN,J.THOMPSO . 920 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34160.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 671 72.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 61 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 107 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.4 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 2 1 0 4 0 0 2 1 1 0 2 2 2 2 0 2 0 0 0 2 0 2 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 6 6 4 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 . 5 4 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 . 5 3 0 0 0 0 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 2 B T 0 0 112 0, 0.0 4,-0.1 0, 0.0 453,-0.1 0.000 360.0 360.0 360.0 130.2 12.3 24.4 30.8 2 3 B I + 0 0 56 2,-0.1 452,-0.1 451,-0.1 451,-0.1 0.904 360.0 61.1 -71.5 -45.0 11.4 21.4 28.6 3 4 B F S S- 0 0 0 450,-0.5 2,-0.1 1,-0.1 452,-0.1 -0.685 98.8-106.6 -84.7 138.4 14.2 19.1 29.8 4 5 B P > - 0 0 38 0, 0.0 3,-3.5 0, 0.0 -2,-0.1 -0.402 21.8-123.0 -65.3 137.4 14.3 18.3 33.5 5 6 B D T 3 S+ 0 0 134 1,-0.3 -2,-0.0 -2,-0.1 448,-0.0 0.743 114.5 56.3 -53.6 -22.4 17.0 20.2 35.5 6 7 B D T 3 S+ 0 0 127 2,-0.1 -1,-0.3 393,-0.0 2,-0.1 0.255 78.4 135.0 -92.9 7.1 18.2 16.7 36.6 7 8 B F < - 0 0 0 -3,-3.5 2,-0.7 1,-0.1 392,-0.2 -0.389 53.0-134.1 -61.3 132.3 18.6 15.5 33.0 8 9 B L E -a 399 0A 18 390,-2.1 392,-2.6 -2,-0.1 2,-0.4 -0.804 23.2-172.0 -93.3 110.9 21.8 13.6 32.4 9 10 B W E +a 400 0A 1 -2,-0.7 67,-1.8 390,-0.2 68,-1.3 -0.810 30.4 97.0 -99.0 143.5 23.6 14.7 29.2 10 11 B G E -ab 401 77A 0 390,-1.8 392,-2.5 -2,-0.4 2,-0.3 -0.951 57.0 -78.9 175.7-155.0 26.6 12.8 27.9 11 12 B G E -ab 402 78A 0 66,-0.8 68,-2.9 390,-0.3 2,-0.4 -0.893 27.1-142.9-143.3 165.1 28.3 10.2 25.7 12 13 B A E +ab 403 79A 0 390,-2.2 392,-1.6 -2,-0.3 393,-0.7 -0.990 20.6 159.2-139.6 139.0 28.8 6.5 25.7 13 14 B V - 0 0 0 66,-1.9 2,-0.3 -2,-0.4 3,-0.1 -0.887 33.7-122.2-140.0 171.6 31.5 4.0 24.7 14 15 B A > - 0 0 0 -2,-0.3 3,-1.2 66,-0.2 4,-0.5 -0.913 28.8-120.1-110.4 152.4 32.3 0.4 25.5 15 16 B A G >> S+ 0 0 0 -2,-0.3 4,-1.9 1,-0.3 3,-1.8 0.935 109.5 51.3 -57.8 -51.3 35.7 -0.4 27.0 16 17 B N G 34 S+ 0 0 16 108,-0.3 -1,-0.3 1,-0.3 393,-0.1 0.611 104.4 59.5 -64.5 -11.6 37.0 -2.6 24.3 17 18 B Q G <4 S+ 0 0 4 -3,-1.2 392,-2.4 391,-0.1 -1,-0.3 0.548 125.1 11.1 -96.8 -5.0 36.2 -0.0 21.6 18 19 B V T <4 S+ 0 0 0 -3,-1.8 39,-2.6 -4,-0.5 41,-1.5 0.615 110.3 69.6-128.9 -56.8 38.4 2.7 23.1 19 20 B E < + 0 0 4 -4,-1.9 41,-1.8 -5,-0.2 42,-0.4 0.838 57.9 174.4 -41.7 -65.9 40.8 1.5 25.9 20 21 B G + 0 0 5 -5,-0.3 35,-0.3 33,-0.3 36,-0.1 -0.499 38.2 115.3 78.1-158.7 43.4 -0.7 24.3 21 22 B A > + 0 0 10 33,-1.0 3,-1.0 -2,-0.1 6,-0.2 0.916 41.5 170.2 62.7 41.3 46.3 -1.8 26.5 22 23 B Y T 3 S+ 0 0 58 32,-1.3 -1,-0.1 1,-0.3 33,-0.1 0.772 71.9 33.3 -61.8 -32.8 44.9 -5.3 25.9 23 24 B N T > S+ 0 0 98 31,-0.2 3,-0.6 6,-0.0 -1,-0.3 0.444 98.6 111.5 -99.2 -3.8 47.9 -7.2 27.4 24 25 B E G X S+ 0 0 63 -3,-1.0 3,-2.9 1,-0.2 -4,-0.0 -0.261 74.9 2.9 -80.1 156.3 48.7 -4.6 30.1 25 26 B D G 3 S- 0 0 87 1,-0.3 75,-0.2 74,-0.0 -1,-0.2 0.740 130.8 -50.5 50.0 33.0 48.5 -4.7 33.9 26 27 B G G < S+ 0 0 43 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.403 87.3 159.9 90.1 -2.3 47.3 -8.3 34.1 27 28 B K < - 0 0 26 -3,-2.9 -1,-0.3 -6,-0.2 59,-0.2 -0.325 29.9-144.0 -57.4 126.8 44.4 -8.0 31.5 28 29 B G - 0 0 13 57,-1.7 57,-0.1 1,-0.1 62,-0.1 -0.462 32.1 -85.6 -82.2 161.6 43.4 -11.3 30.1 29 30 B L - 0 0 58 -2,-0.1 100,-2.0 -6,-0.1 101,-0.5 -0.395 42.8-156.1 -63.1 142.7 42.3 -11.7 26.5 30 31 B S B -I 128 0B 3 98,-0.3 4,-0.3 99,-0.1 3,-0.2 -0.579 35.2-100.5-105.8-179.4 38.6 -11.0 25.7 31 32 B V S > S+ 0 0 0 96,-1.1 3,-0.8 1,-0.2 95,-0.1 0.777 122.5 61.8 -72.0 -24.3 36.6 -12.3 22.8 32 33 B Q G > S+ 0 0 1 1,-0.2 3,-2.3 2,-0.2 -1,-0.2 0.855 91.6 63.2 -67.0 -36.7 37.2 -9.0 21.2 33 34 B D G 3 S+ 0 0 5 1,-0.3 15,-0.5 -3,-0.2 -1,-0.2 0.625 106.1 47.0 -67.9 -14.9 41.0 -9.4 21.1 34 35 B V G < S+ 0 0 0 -3,-0.8 10,-1.8 -4,-0.3 -1,-0.3 0.137 95.1 85.2-100.8 9.3 40.3 -12.4 18.8 35 36 B L X + 0 0 3 -3,-2.3 3,-0.8 8,-0.2 8,-0.1 -0.614 40.3 156.6-117.6 73.9 37.9 -10.4 16.6 36 37 B P T 3 S+ 0 0 14 0, 0.0 16,-0.3 0, 0.0 -1,-0.1 0.753 84.3 40.5 -68.7 -29.0 40.0 -8.5 14.0 37 38 B K T 3 S- 0 0 125 5,-0.5 3,-0.4 1,-0.3 4,-0.2 0.344 112.1-129.3-100.7 0.5 37.0 -8.4 11.7 38 39 B G X - 0 0 0 -3,-0.8 3,-0.9 1,-0.2 -1,-0.3 -0.299 51.5 -29.5 91.2-169.7 34.4 -7.6 14.4 39 40 B G T 3 S+ 0 0 13 372,-2.9 141,-0.2 1,-0.3 -1,-0.2 0.865 140.8 44.6 -50.8 -41.9 31.1 -9.1 15.3 40 41 B L T 3 S+ 0 0 128 372,-2.1 -1,-0.3 -3,-0.4 -2,-0.2 0.626 104.0 81.7 -82.6 -15.4 30.4 -10.1 11.7 41 42 B G S < S- 0 0 21 -3,-0.9 -3,-0.1 371,-0.5 373,-0.0 -0.430 83.7-101.7 -90.3 165.5 33.9 -11.5 11.2 42 43 B E - 0 0 166 -2,-0.1 -5,-0.5 1,-0.1 2,-0.3 -0.106 39.9-105.0 -73.0 179.3 35.4 -14.9 12.0 43 44 B A - 0 0 49 -8,-0.1 2,-0.4 -7,-0.1 -8,-0.2 -0.783 19.3-135.4-110.1 152.0 37.8 -15.5 15.0 44 45 B T - 0 0 36 -10,-1.8 4,-0.1 -2,-0.3 0, 0.0 -0.877 20.5-126.0-104.4 140.1 41.5 -16.0 15.1 45 46 B E S S+ 0 0 149 -2,-0.4 -1,-0.1 1,-0.0 -11,-0.0 0.861 98.3 12.0 -51.3 -38.3 43.1 -18.7 17.3 46 47 B N S S- 0 0 112 1,-0.1 -1,-0.0 -12,-0.1 0, 0.0 -0.917 101.5 -80.2-134.2 161.2 45.2 -16.0 18.8 47 48 B P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 -13,-0.2 -0.189 47.3-156.6 -56.9 155.3 45.1 -12.2 18.7 48 49 B T > - 0 0 52 -15,-0.5 3,-2.0 1,-0.1 6,-0.2 -0.980 26.1-115.9-138.6 156.3 46.7 -10.6 15.7 49 50 B E T 3 S+ 0 0 147 -2,-0.3 5,-0.1 1,-0.3 -1,-0.1 0.754 108.0 67.5 -61.6 -31.2 48.2 -7.2 14.8 50 51 B D T 3 S+ 0 0 88 2,-0.1 2,-0.7 4,-0.0 -1,-0.3 0.561 77.4 103.0 -66.8 -7.4 45.5 -6.2 12.3 51 52 B N X - 0 0 1 -3,-2.0 3,-1.3 1,-0.1 4,-0.4 -0.717 60.7-160.3 -81.5 116.6 43.0 -6.1 15.2 52 53 B L T 3> S+ 0 0 7 -2,-0.7 4,-2.7 362,-0.4 3,-0.2 0.574 80.7 72.1 -75.7 -10.3 42.5 -2.4 16.0 53 54 B K T 34 S+ 0 0 4 2,-0.2 -1,-0.3 1,-0.2 -33,-0.3 0.602 79.3 73.7 -85.7 -10.7 41.2 -3.1 19.5 54 55 B L T <4 S+ 0 0 24 -3,-1.3 -32,-1.3 -6,-0.2 -33,-1.0 0.948 119.5 17.0 -64.0 -49.4 44.6 -4.0 20.8 55 56 B I T >4 S+ 0 0 81 -4,-0.4 3,-1.5 -35,-0.3 -2,-0.2 0.831 91.5 173.0 -84.4 -40.3 45.6 -0.4 20.7 56 57 B G T 3< S- 0 0 0 -4,-2.7 -37,-0.2 1,-0.3 -1,-0.2 -0.473 72.6 -47.0 67.6-141.4 42.1 1.0 20.5 57 58 B I T 3 S- 0 0 0 -39,-2.6 -1,-0.3 -2,-0.1 -38,-0.2 0.193 81.6-110.3 -96.3 8.4 42.2 4.8 20.7 58 59 B D X> + 0 0 29 -3,-1.5 4,-2.2 -40,-0.9 3,-0.7 0.834 66.6 152.4 66.9 35.4 44.5 4.3 23.7 59 60 B F H 3> + 0 0 1 -41,-1.5 4,-1.6 1,-0.2 -40,-0.2 0.824 60.7 72.1 -62.5 -32.7 41.9 5.5 26.2 60 61 B Y H 34 S+ 0 0 15 -41,-1.8 -1,-0.2 -42,-0.2 -40,-0.1 0.881 114.7 23.6 -52.5 -43.0 43.4 3.4 28.9 61 62 B H H <4 S+ 0 0 95 -3,-0.7 3,-0.4 -42,-0.4 -1,-0.2 0.778 127.7 47.1 -86.2 -33.3 46.4 5.8 29.0 62 63 B K H >X S+ 0 0 58 -4,-2.2 4,-2.5 1,-0.2 3,-0.5 0.309 71.8 112.3 -96.9 3.8 44.7 9.0 27.6 63 64 B Y H 3X S+ 0 0 26 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.772 71.5 62.0 -54.2 -27.2 41.5 9.0 29.6 64 65 B K H 3> S+ 0 0 105 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.955 110.4 36.2 -69.3 -49.0 42.6 12.2 31.5 65 66 B E H <> S+ 0 0 113 -3,-0.5 4,-2.1 2,-0.2 3,-0.2 0.946 117.8 52.3 -63.6 -47.8 42.8 14.4 28.4 66 67 B D H >X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.3 3,-0.8 0.968 109.9 49.1 -55.1 -52.1 39.8 12.8 26.8 67 68 B I H 3X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.3 -1,-0.3 0.783 104.2 60.2 -54.8 -32.7 37.8 13.3 30.0 68 69 B S H 3X S+ 0 0 58 -4,-1.3 4,-1.2 -3,-0.2 -1,-0.3 0.910 105.0 48.7 -63.8 -40.4 38.9 16.9 29.9 69 70 B L H X>S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 5,-1.5 0.979 108.8 50.1 -55.2 -52.3 34.1 15.6 27.9 71 72 B S H 3<5S+ 0 0 46 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.828 105.0 60.5 -53.0 -30.5 34.2 18.2 30.7 72 73 B E H 3<5S+ 0 0 69 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.867 106.1 43.7 -69.5 -37.0 34.6 20.8 27.9 73 74 B M H <<5S- 0 0 0 -4,-1.8 378,-0.2 -3,-0.9 -1,-0.2 0.759 119.2-113.6 -74.8 -24.3 31.2 19.8 26.3 74 75 B G T <5 + 0 0 26 -4,-1.8 -3,-0.2 -5,-0.2 -65,-0.2 0.543 45.6 179.7 103.5 14.0 29.7 19.7 29.8 75 76 B F < - 0 0 5 -5,-1.5 -65,-0.2 1,-0.2 -1,-0.2 -0.181 15.7-176.8 -48.5 127.4 28.9 16.1 30.2 76 77 B N S S+ 0 0 50 -67,-1.8 41,-2.4 1,-0.1 2,-0.3 0.326 75.4 37.5-100.2 1.2 27.3 15.4 33.5 77 78 B V E -bc 10 117A 0 -68,-1.3 -66,-0.8 39,-0.2 2,-0.4 -0.993 61.4-172.1-146.1 147.9 27.3 11.7 32.7 78 79 B F E -bc 11 118A 0 39,-2.2 41,-2.0 -2,-0.3 2,-0.4 -0.959 12.7-151.9-141.4 126.7 29.6 9.3 30.9 79 80 B R E +bc 12 119A 0 -68,-2.9 -66,-1.9 -2,-0.4 2,-0.3 -0.814 31.2 136.6 -99.4 134.9 28.7 5.8 30.0 80 81 B T E - c 0 120A 2 39,-2.7 41,-2.2 -2,-0.4 2,-0.3 -0.942 43.8-107.2-156.7 178.5 31.3 3.0 29.6 81 82 B S E - c 0 121A 0 -2,-0.3 2,-0.7 39,-0.3 41,-0.2 -0.829 19.9-126.0-111.7 150.9 31.9 -0.6 30.6 82 83 B I - 0 0 0 39,-1.5 2,-0.4 -2,-0.3 42,-0.2 -0.882 39.1-120.8 -88.5 117.7 34.1 -2.1 33.2 83 84 B A >> - 0 0 4 -2,-0.7 3,-1.1 1,-0.2 4,-0.6 -0.463 16.0-147.8 -69.0 121.1 36.1 -4.6 31.2 84 85 B W H >> S+ 0 0 0 42,-0.5 4,-2.7 -2,-0.4 3,-0.6 0.795 92.1 54.0 -57.1 -36.7 35.4 -8.0 32.7 85 86 B S H 34 S+ 0 0 1 41,-0.3 -57,-1.7 1,-0.2 -1,-0.3 0.672 97.1 61.7 -82.2 -16.5 38.9 -9.4 31.8 86 87 B R H <4 S+ 0 0 4 -3,-1.1 14,-0.3 -59,-0.2 -1,-0.2 0.670 115.6 37.5 -77.2 -15.7 40.9 -6.7 33.5 87 88 B I H << S+ 0 0 0 -3,-0.6 10,-2.5 -4,-0.6 -2,-0.2 0.858 136.2 16.1 -97.5 -57.7 39.2 -7.8 36.7 88 89 B F S < S- 0 0 1 -4,-2.7 -1,-0.2 8,-0.2 -2,-0.1 -0.801 71.8-171.6-120.3 90.7 39.1 -11.6 36.2 89 90 B P S S+ 0 0 29 0, 0.0 41,-0.4 0, 0.0 40,-0.2 0.826 92.1 18.5 -52.3 -50.3 41.6 -12.4 33.4 90 91 B K S S- 0 0 98 40,-0.1 41,-0.6 -62,-0.1 -2,-0.1 0.722 105.8-130.2 -84.5 -30.5 40.6 -16.1 33.0 91 92 B G S S+ 0 0 1 39,-0.1 59,-0.1 -6,-0.1 58,-0.1 -0.017 92.5 78.1 101.9 -24.8 37.4 -15.3 34.8 92 93 B D + 0 0 39 57,-0.0 -4,-0.0 -4,-0.0 54,-0.0 0.377 59.4 131.1 -98.3 4.1 37.7 -18.2 37.3 93 94 B E - 0 0 41 1,-0.1 4,-0.1 2,-0.1 0, 0.0 -0.305 57.3-139.9 -56.1 136.6 40.3 -16.6 39.7 94 95 B E S S+ 0 0 172 1,-0.1 -1,-0.1 2,-0.1 -6,-0.0 0.797 90.1 45.8 -62.8 -29.1 39.4 -16.8 43.4 95 96 B E S S- 0 0 146 1,-0.0 -1,-0.1 -8,-0.0 -2,-0.1 -0.927 87.9-115.2-123.7 142.6 40.7 -13.2 43.7 96 97 B P - 0 0 33 0, 0.0 2,-0.6 0, 0.0 -8,-0.2 -0.260 34.7-104.3 -65.5 154.5 40.2 -10.1 41.6 97 98 B N > - 0 0 31 -10,-2.5 4,-1.5 1,-0.2 5,-0.1 -0.770 31.3-159.7 -80.1 119.3 43.0 -8.4 39.7 98 99 B E H > S+ 0 0 105 -2,-0.6 4,-2.5 2,-0.2 5,-0.2 0.849 87.4 54.8 -76.4 -37.9 43.9 -5.3 41.8 99 100 B A H > S+ 0 0 44 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.938 108.2 53.8 -58.8 -43.0 45.7 -3.3 39.2 100 101 B G H > S+ 0 0 2 -14,-0.3 4,-1.2 -75,-0.2 -2,-0.2 0.911 109.9 45.7 -53.4 -47.2 42.5 -3.7 37.1 101 102 B L H X S+ 0 0 5 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.869 110.8 53.7 -64.8 -38.9 40.3 -2.4 40.0 102 103 B K H X S+ 0 0 116 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.902 101.4 58.2 -67.8 -43.6 42.7 0.5 40.6 103 104 B Y H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.911 110.1 44.3 -47.2 -45.4 42.6 1.7 37.0 104 105 B Y H X S+ 0 0 0 -4,-1.2 4,-2.7 1,-0.2 5,-0.3 0.833 107.2 58.2 -78.0 -29.2 38.8 2.1 37.3 105 106 B D H X S+ 0 0 27 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.920 110.8 45.5 -55.3 -43.3 39.1 3.8 40.7 106 107 B E H X S+ 0 0 71 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.955 111.8 49.7 -70.5 -48.7 41.2 6.3 38.8 107 108 B L H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.959 113.6 44.9 -50.4 -57.2 38.8 6.6 35.9 108 109 B F H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.875 111.4 55.6 -60.7 -36.4 35.8 7.2 38.1 109 110 B D H X S+ 0 0 80 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.914 108.6 45.6 -59.8 -48.0 37.9 9.6 40.2 110 111 B E H X S+ 0 0 34 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.921 113.3 52.0 -58.8 -45.4 38.8 11.8 37.2 111 112 B L H >X>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 3,-1.4 0.972 112.2 43.0 -55.4 -58.1 35.1 11.7 36.0 112 113 B H H ><5S+ 0 0 67 -4,-2.9 3,-0.8 1,-0.3 -1,-0.2 0.801 106.9 63.7 -60.4 -29.3 33.8 12.8 39.4 113 114 B A H 3<5S+ 0 0 71 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.818 107.5 42.3 -64.9 -30.3 36.5 15.4 39.5 114 115 B H H <<5S- 0 0 68 -3,-1.4 -1,-0.2 -4,-1.3 -2,-0.2 0.455 125.6 -98.8 -96.4 3.4 35.0 17.0 36.5 115 116 B G T <<5S+ 0 0 52 -3,-0.8 2,-0.6 -4,-0.5 -3,-0.2 0.733 76.9 141.7 89.3 27.2 31.4 16.7 37.7 116 117 B I < - 0 0 0 -5,-2.1 -39,-0.2 -6,-0.2 -1,-0.2 -0.899 43.6-147.5-114.3 113.5 30.6 13.6 35.6 117 118 B E E -c 77 0A 65 -41,-2.4 -39,-2.2 -2,-0.6 45,-0.1 -0.646 22.5-134.9 -72.6 118.0 28.5 10.7 36.9 118 119 B P E -c 78 0A 1 0, 0.0 46,-0.8 0, 0.0 2,-0.4 -0.414 12.1-159.0 -68.3 152.2 29.7 7.4 35.4 119 120 B L E -cd 79 164A 0 -41,-2.0 -39,-2.7 44,-0.1 2,-0.5 -0.987 17.2-154.5-131.3 120.2 27.2 4.9 34.0 120 121 B V E -cd 80 165A 0 44,-2.5 46,-2.0 -2,-0.4 2,-0.6 -0.864 15.2-156.8-112.8 123.9 28.6 1.4 33.9 121 122 B T E -cd 81 166A 0 -41,-2.2 -39,-1.5 -2,-0.5 3,-0.3 -0.827 11.1-157.9 -87.3 124.6 27.7 -1.5 31.7 122 123 B L E S+ 0 0 2 44,-2.9 2,-0.6 -2,-0.6 -38,-0.2 0.984 81.1 19.0 -70.3 -54.6 28.8 -4.6 33.5 123 124 B S E + d 0 168A 4 44,-1.7 46,-1.8 43,-0.3 2,-0.6 -0.895 65.3 164.7-120.9 106.6 29.0 -6.9 30.5 124 125 B H S S- 0 0 3 -2,-0.6 -108,-0.3 -3,-0.3 -43,-0.1 -0.801 75.4 -61.5-118.0 91.6 29.3 -5.2 27.1 125 126 B Y S S+ 0 0 13 -2,-0.6 2,-0.2 44,-0.2 -93,-0.1 0.719 106.0 109.5 43.4 31.4 30.4 -7.9 24.6 126 127 B E + 0 0 3 55,-0.1 -42,-0.5 -95,-0.1 -41,-0.3 -0.561 38.4 166.9-134.7 91.8 33.7 -8.6 26.3 127 128 B T - 0 0 0 53,-0.2 -96,-1.1 -2,-0.2 -95,-0.2 -0.616 50.4 -91.5 -97.2 143.0 33.8 -12.0 27.9 128 129 B P B > -I 30 0B 0 0, 0.0 4,-2.6 0, 0.0 -98,-0.3 -0.386 30.6-138.2 -53.1 128.1 37.0 -13.6 29.1 129 130 B L H > S+ 0 0 10 -100,-2.0 4,-2.6 1,-0.2 5,-0.2 0.720 104.0 60.7 -60.9 -22.3 38.2 -15.7 26.1 130 131 B Y H > S+ 0 0 82 -101,-0.5 4,-2.9 -41,-0.4 5,-0.3 0.962 106.3 42.8 -69.6 -53.0 39.1 -18.3 28.7 131 132 B L H > S+ 0 0 0 -41,-0.6 4,-2.5 1,-0.2 6,-1.1 0.930 117.2 49.1 -55.0 -45.3 35.5 -18.6 29.9 132 133 B A H X S+ 0 0 0 -4,-2.6 4,-1.2 4,-0.2 53,-0.5 0.929 115.3 42.9 -60.8 -47.8 34.4 -18.5 26.2 133 134 B R H < S+ 0 0 81 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.913 122.3 37.2 -62.0 -48.9 36.9 -21.2 25.2 134 135 B K H < S+ 0 0 109 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.898 131.5 23.0 -78.6 -46.0 36.4 -23.5 28.1 135 136 B Y H < S- 0 0 23 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.2 0.474 98.8-117.9-100.3 -4.0 32.6 -23.3 28.8 136 137 B H >< - 0 0 80 -4,-1.2 3,-0.9 -5,-0.5 50,-0.3 0.747 57.9 -97.9 63.8 24.8 31.4 -22.2 25.3 137 138 B G G > S- 0 0 0 -6,-1.1 3,-2.5 1,-0.2 6,-0.3 -0.271 87.4 -3.2 74.0-148.5 30.2 -19.0 27.1 138 139 B W G 3 S+ 0 0 0 44,-2.7 -1,-0.2 1,-0.3 64,-0.2 0.593 112.2 82.5 -66.5 -11.5 26.7 -18.3 28.2 139 140 B V G < S+ 0 0 37 -3,-0.9 2,-0.5 43,-0.2 -1,-0.3 0.804 86.3 72.8 -53.3 -28.1 25.4 -21.6 26.8 140 141 B D S X S- 0 0 52 -3,-2.5 3,-1.9 -5,-0.1 4,-0.3 -0.785 79.4-142.9 -99.1 127.5 26.7 -23.0 30.1 141 142 B R T > S+ 0 0 68 -2,-0.5 3,-2.3 1,-0.3 4,-0.5 0.821 94.7 76.3 -56.8 -31.4 24.9 -22.3 33.4 142 143 B R T >> S+ 0 0 138 1,-0.3 4,-1.6 2,-0.2 3,-0.6 0.802 77.0 77.5 -49.5 -32.2 28.2 -22.0 35.2 143 144 B M H <> S+ 0 0 0 -3,-1.9 4,-3.4 -6,-0.3 -1,-0.3 0.827 83.6 64.2 -48.5 -36.6 28.6 -18.5 33.6 144 145 B I H <> S+ 0 0 10 -3,-2.3 4,-3.7 -4,-0.3 -1,-0.2 0.960 101.4 48.4 -55.4 -54.0 26.1 -17.2 36.1 145 146 B H H <> S+ 0 0 111 -3,-0.6 4,-3.1 -4,-0.5 -1,-0.2 0.949 113.7 47.1 -48.6 -53.6 28.5 -17.9 39.0 146 147 B F H X S+ 0 0 13 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.938 114.3 45.9 -59.7 -46.5 31.4 -16.3 37.2 147 148 B Y H X S+ 0 0 0 -4,-3.4 4,-3.5 1,-0.2 -1,-0.2 0.933 111.5 53.3 -63.7 -43.3 29.4 -13.2 36.2 148 149 B E H X S+ 0 0 43 -4,-3.7 4,-3.0 -5,-0.3 5,-0.4 0.956 108.9 48.9 -52.6 -51.8 28.1 -13.0 39.8 149 150 B K H X S+ 0 0 32 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.914 113.0 48.2 -57.6 -43.6 31.6 -13.1 41.1 150 151 B F H X S+ 0 0 0 -4,-2.6 4,-1.7 -5,-0.2 -2,-0.2 0.977 115.2 43.6 -59.4 -54.2 32.6 -10.3 38.7 151 152 B A H X S+ 0 0 0 -4,-3.5 4,-2.9 1,-0.3 5,-0.5 0.945 111.0 52.0 -62.7 -53.7 29.6 -8.1 39.5 152 153 B R H X S+ 0 0 104 -4,-3.0 4,-1.7 1,-0.2 -1,-0.3 0.875 108.0 55.8 -47.5 -39.8 29.7 -8.5 43.3 153 154 B T H X S+ 0 0 30 -4,-1.8 4,-1.5 -5,-0.4 -1,-0.2 0.936 115.9 33.2 -62.8 -47.0 33.4 -7.5 43.1 154 155 B V H X S+ 0 0 0 -4,-1.7 4,-3.1 -3,-0.4 5,-0.2 0.896 115.0 53.4 -82.7 -42.9 32.8 -4.2 41.3 155 156 B L H X S+ 0 0 1 -4,-2.9 4,-0.6 1,-0.2 -3,-0.2 0.947 114.3 47.0 -50.6 -48.0 29.5 -3.1 42.8 156 157 B E H < S+ 0 0 93 -4,-1.7 3,-0.4 -5,-0.5 -2,-0.2 0.911 115.4 45.2 -62.9 -39.9 31.1 -3.7 46.1 157 158 B R H < S+ 0 0 81 -4,-1.5 3,-0.3 1,-0.2 -2,-0.2 0.872 123.6 31.3 -73.7 -41.1 34.3 -1.7 45.1 158 159 B Y H >X S+ 0 0 0 -4,-3.1 3,-2.8 1,-0.2 4,-2.1 0.228 80.3 127.1 -97.7 8.7 32.6 1.3 43.4 159 160 B K T 3< S+ 0 0 71 -4,-0.6 -1,-0.2 -3,-0.4 -2,-0.1 0.737 84.6 31.1 -47.8 -33.0 29.6 1.2 45.7 160 161 B D T 34 S+ 0 0 133 -3,-0.3 -1,-0.3 -4,-0.2 3,-0.1 0.454 119.8 55.4-100.0 -5.1 30.1 4.9 46.5 161 162 B K T <4 S+ 0 0 53 -3,-2.8 2,-0.4 1,-0.2 -2,-0.2 0.602 106.8 44.2 -99.1 -15.2 31.6 5.8 43.2 162 163 B V < + 0 0 3 -4,-2.1 -1,-0.2 -7,-0.2 -43,-0.1 -0.937 46.1 171.1-139.1 115.1 28.9 4.7 40.7 163 164 B K + 0 0 71 -2,-0.4 59,-2.8 -45,-0.3 2,-0.6 0.859 67.6 63.0 -84.5 -40.0 25.1 5.1 41.0 164 165 B Y E +de 119 222A 38 -46,-0.8 -44,-2.5 57,-0.2 2,-0.3 -0.815 61.2 172.6-101.9 118.4 24.0 3.9 37.6 165 166 B W E -de 120 223A 2 57,-2.9 59,-2.8 -2,-0.6 2,-0.4 -0.808 18.2-161.6-119.0 158.5 24.5 0.3 36.4 166 167 B L E -de 121 224A 0 -46,-2.0 -44,-2.9 -2,-0.3 -43,-0.3 -0.997 10.4-152.5-135.4 132.4 23.4 -1.8 33.5 167 168 B T E S- 0 0 1 57,-1.6 -44,-1.7 -2,-0.4 2,-0.3 0.986 72.3 -3.3 -72.6 -56.3 23.6 -5.6 33.6 168 169 B F E -d 123 0A 4 56,-0.2 2,-1.1 -46,-0.2 58,-0.3 -0.959 63.2-119.8-135.4 151.5 24.0 -6.5 29.9 169 170 B N S S- 0 0 6 -46,-1.8 -44,-0.2 -2,-0.3 4,-0.1 -0.830 94.9 -28.8 -90.8 105.2 24.2 -4.7 26.6 170 171 B E > - 0 0 20 56,-1.2 3,-1.8 -2,-1.1 4,-0.3 0.976 61.2-154.9 56.9 79.0 21.2 -6.4 24.9 171 172 B V G > S+ 0 0 0 55,-0.5 3,-1.0 -3,-0.3 32,-0.1 0.847 92.6 56.1 -49.7 -33.2 20.8 -9.9 26.2 172 173 B N G > S+ 0 0 18 1,-0.2 3,-3.0 2,-0.1 4,-0.4 0.630 76.2 88.4 -82.6 -8.0 19.1 -10.9 23.0 173 174 B S G <> + 0 0 13 -3,-1.8 4,-2.3 1,-0.3 3,-0.5 0.689 69.9 84.8 -62.9 -10.3 21.9 -9.9 20.7 174 175 B V G <4 S+ 0 0 0 -3,-1.0 -1,-0.3 -4,-0.3 -2,-0.1 0.695 79.6 65.7 -56.9 -19.2 23.0 -13.5 21.5 175 176 B L T <4 S+ 0 0 38 -3,-3.0 -1,-0.2 2,-0.2 -2,-0.2 0.932 114.5 22.9 -74.2 -45.8 20.6 -14.4 18.6 176 177 B E T 4 S+ 0 0 150 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.2 0.617 137.2 31.1 -94.7 -14.9 22.5 -12.7 15.8 177 178 B L X> + 0 0 28 -4,-2.3 4,-2.5 1,-0.1 5,-0.6 -0.539 62.1 165.5-143.1 72.7 26.0 -12.7 17.5 178 179 B P H >>S+ 0 0 5 0, 0.0 6,-2.1 0, 0.0 4,-1.1 0.922 80.4 39.8 -59.9 -46.2 26.4 -15.7 19.8 179 180 B F H >5S+ 0 0 28 4,-0.3 4,-1.4 3,-0.2 6,-0.1 0.984 118.5 44.5 -70.8 -55.8 30.2 -15.4 20.2 180 181 B T H 45S+ 0 0 3 -141,-0.2 -53,-0.2 2,-0.2 -1,-0.2 0.875 128.4 26.7 -52.5 -43.9 30.5 -11.6 20.4 181 182 B S H <5S+ 0 0 4 -4,-2.5 -56,-0.2 -8,-0.2 -2,-0.2 0.959 136.3 22.4 -90.1 -61.4 27.6 -11.2 22.8 182 183 B G H < - 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