==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-JUL-09 2WMY . COMPND 2 MOLECULE: PUTATIVE ACID PHOSPHATASE WZB; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR H.HUANG,G.HAGELUEKEN,C.WHITFIELD,J.H.NAISMITH . 1144 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 49616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 790 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 144 12.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 52 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 148 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.7 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 8 0 0 0 2 6 8 0 8 0 0 0 0 0 0 0 0 5 3 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 8 0 8 8 0 8 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 8 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 5 A M 0 0 211 0, 0.0 2,-1.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -68.9 11.1 17.8 -0.3 2 6 A F + 0 0 90 1,-0.2 3,-0.1 74,-0.0 76,-0.0 -0.727 360.0 149.6 -90.1 94.7 11.5 16.2 -3.7 3 7 A D + 0 0 93 -2,-1.1 28,-1.3 1,-0.1 2,-0.4 0.667 58.7 56.0-101.3 -20.4 14.4 18.1 -5.2 4 8 A S E -a 31 0A 18 -3,-0.2 74,-1.0 26,-0.2 73,-0.7 -0.949 64.2-169.2-117.1 134.3 15.8 15.3 -7.4 5 9 A I E -ab 32 78A 0 26,-2.7 28,-2.4 -2,-0.4 2,-0.6 -0.982 8.4-165.6-127.3 127.5 13.8 13.4 -10.1 6 10 A L E -ab 33 79A 0 72,-3.0 74,-2.6 -2,-0.4 2,-0.5 -0.942 12.0-156.4-108.7 114.4 14.8 10.2 -12.0 7 11 A V E -ab 34 80A 0 26,-3.5 28,-2.1 -2,-0.6 2,-0.4 -0.776 17.1-166.7 -90.7 129.3 12.6 9.5 -15.0 8 12 A I E +ab 35 81A 0 72,-3.4 74,-1.4 -2,-0.5 28,-0.2 -0.950 23.1 143.3-131.3 130.8 12.6 5.9 -16.1 9 13 A C E -a 36 0A 2 26,-1.7 28,-2.3 -2,-0.4 29,-0.2 -0.367 55.2 -89.2-127.3-145.3 11.5 3.8 -19.0 10 14 A T S S+ 0 0 17 26,-0.3 28,-2.5 27,-0.2 58,-0.2 0.885 113.7 20.2 -98.9 -64.0 12.9 0.7 -20.7 11 15 A G S S- 0 0 1 28,-0.2 29,-2.1 26,-0.1 25,-0.2 0.688 84.9-138.2 -80.1 -19.2 15.3 1.7 -23.4 12 16 A N S S+ 0 0 0 23,-0.3 54,-0.1 27,-0.2 24,-0.1 0.827 85.9 90.6 56.2 34.0 16.0 5.2 -22.1 13 17 A I S S+ 0 0 6 32,-0.1 33,-2.9 52,-0.1 36,-0.2 0.492 92.2 19.8-130.7 -14.2 15.8 6.3 -25.8 14 18 A C S > S+ 0 0 5 31,-0.2 4,-1.0 35,-0.1 5,-0.1 0.660 125.1 21.4-115.9 -75.1 12.1 7.1 -26.3 15 19 A R H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.947 119.8 45.5 -71.2 -56.7 9.9 7.9 -23.3 16 20 A S H > S+ 0 0 0 1,-0.2 4,-3.7 2,-0.2 5,-0.3 0.905 109.4 54.8 -62.1 -38.3 12.2 9.0 -20.4 17 21 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.901 114.1 43.3 -60.9 -34.4 14.4 11.3 -22.5 18 22 A I H X S+ 0 0 5 -4,-1.0 4,-2.3 -3,-0.3 -2,-0.2 0.925 115.1 47.7 -73.3 -44.5 11.2 13.1 -23.5 19 23 A G H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.905 111.4 52.7 -60.6 -42.5 9.8 13.0 -19.9 20 24 A E H X S+ 0 0 7 -4,-3.7 4,-2.1 -5,-0.2 -1,-0.2 0.935 111.7 43.8 -57.3 -50.1 13.1 14.3 -18.6 21 25 A R H X S+ 0 0 40 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.851 112.0 52.9 -71.2 -35.7 13.2 17.3 -20.9 22 26 A L H X S+ 0 0 5 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.950 111.7 46.3 -60.8 -48.5 9.6 18.2 -20.5 23 27 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.872 109.2 53.7 -65.0 -37.1 10.0 18.3 -16.7 24 28 A R H < S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.914 105.8 55.2 -62.3 -42.9 13.2 20.3 -16.9 25 29 A R H < S+ 0 0 124 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.857 116.6 36.3 -50.6 -42.8 11.3 22.8 -19.0 26 30 A L H < S+ 0 0 76 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.778 127.5 33.3 -89.0 -31.4 8.7 23.2 -16.2 27 31 A L >< + 0 0 18 -4,-2.8 3,-1.6 -5,-0.2 -1,-0.2 -0.645 67.8 170.3-128.9 74.4 10.9 22.8 -13.1 28 32 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.634 70.9 60.0 -63.3 -20.0 14.2 24.5 -14.1 29 33 A S T 3 S+ 0 0 103 2,-0.1 2,-0.3 -5,-0.0 -5,-0.1 0.479 89.5 87.4 -92.8 -2.8 15.7 24.5 -10.6 30 34 A K S < S- 0 0 45 -3,-1.6 2,-0.9 -6,-0.1 -26,-0.2 -0.659 81.5-114.4-100.2 152.3 15.6 20.7 -10.0 31 35 A K E +a 4 0A 93 -28,-1.3 -26,-2.7 -2,-0.3 2,-0.5 -0.753 44.3 177.9 -79.7 107.7 18.1 17.9 -10.9 32 36 A I E +a 5 0A 3 -2,-0.9 2,-0.2 -28,-0.2 -26,-0.2 -0.951 8.1 151.2-123.4 116.1 16.2 15.9 -13.5 33 37 A N E -a 6 0A 54 -28,-2.4 -26,-3.5 -2,-0.5 2,-0.3 -0.729 24.5-140.7-133.1-177.3 17.7 12.8 -15.2 34 38 A S E +a 7 0A 8 -28,-0.3 2,-0.3 -2,-0.2 -26,-0.2 -0.976 16.1 168.7-150.3 155.7 16.6 9.6 -16.8 35 39 A A E -a 8 0A 0 -28,-2.1 -26,-1.7 -2,-0.3 2,-0.4 -0.953 22.9-122.5-160.8 173.8 17.5 5.9 -17.2 36 40 A G E > -ac 9 67A 0 30,-2.4 32,-2.4 -2,-0.3 3,-1.3 -0.981 12.3-143.0-136.6 138.4 16.1 2.6 -18.4 37 41 A V T 3 S+ 0 0 17 -28,-2.3 -27,-0.2 -2,-0.4 -26,-0.1 0.686 115.2 25.4 -70.6 -16.1 15.6 -0.9 -16.9 38 42 A G T 3 S+ 0 0 32 -28,-2.5 -1,-0.3 -29,-0.2 -28,-0.1 -0.285 98.1 179.5-133.4 48.8 16.6 -2.3 -20.3 39 43 A A < - 0 0 16 -3,-1.3 2,-1.1 -30,-0.1 -27,-0.2 -0.107 36.6-135.9 -68.5 146.3 18.7 0.6 -21.5 40 44 A L > - 0 0 8 -29,-2.1 3,-1.9 26,-0.1 25,-0.3 -0.797 40.9-137.7 -91.4 89.4 20.6 0.9 -24.8 41 45 A V T 3 S+ 0 0 72 -2,-1.1 25,-0.2 1,-0.3 3,-0.1 -0.260 74.8 1.8 -65.6 128.4 23.7 2.3 -23.1 42 46 A D T 3 S+ 0 0 102 23,-2.7 2,-0.3 1,-0.3 -1,-0.3 0.402 96.7 134.7 77.5 1.3 25.4 5.2 -24.8 43 47 A H < - 0 0 56 -3,-1.9 22,-2.4 1,-0.1 -1,-0.3 -0.599 55.9-121.1 -79.8 141.3 22.8 5.3 -27.6 44 48 A T - 0 0 95 -2,-0.3 20,-0.1 20,-0.2 3,-0.1 -0.146 48.0 -70.5 -67.7 171.3 21.4 8.6 -28.7 45 49 A A - 0 0 2 15,-0.2 -31,-0.2 18,-0.2 -1,-0.2 -0.307 65.8 -86.7 -62.1 150.3 17.7 9.2 -28.4 46 50 A D > - 0 0 32 -33,-2.9 4,-2.4 1,-0.1 5,-0.2 -0.303 32.8-123.7 -59.6 142.5 15.5 7.3 -30.9 47 51 A E H > S+ 0 0 147 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.883 113.5 47.9 -54.4 -44.1 15.1 9.0 -34.3 48 52 A S H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.835 109.4 54.4 -68.3 -31.8 11.3 8.9 -34.0 49 53 A A H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.910 109.6 47.0 -65.9 -43.0 11.6 10.3 -30.5 50 54 A I H X S+ 0 0 48 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.866 110.6 54.1 -65.1 -38.4 13.7 13.2 -31.8 51 55 A R H X S+ 0 0 103 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.973 112.1 41.1 -58.6 -56.7 11.2 13.8 -34.7 52 56 A V H X S+ 0 0 5 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.860 116.3 52.5 -63.8 -33.5 8.1 14.1 -32.4 53 57 A A H ><>S+ 0 0 0 -4,-1.9 5,-2.8 -5,-0.2 3,-1.0 0.979 112.4 40.6 -66.4 -57.6 10.1 16.1 -29.9 54 58 A E H ><5S+ 0 0 102 -4,-2.6 3,-2.8 1,-0.3 -2,-0.2 0.906 108.4 62.0 -60.0 -41.7 11.4 18.8 -32.4 55 59 A K H 3<5S+ 0 0 138 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.822 110.2 42.5 -49.5 -33.5 8.0 18.9 -34.1 56 60 A N T <<5S- 0 0 66 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.184 125.1-103.6-100.3 14.2 6.7 20.1 -30.7 57 61 A G T < 5S+ 0 0 59 -3,-2.8 2,-0.4 1,-0.2 -3,-0.2 0.689 78.0 134.9 76.6 19.0 9.6 22.4 -30.1 58 62 A L < - 0 0 9 -5,-2.8 2,-0.5 -6,-0.2 -1,-0.2 -0.870 46.4-142.2-106.5 134.3 11.3 20.1 -27.6 59 63 A C + 0 0 68 -2,-0.4 -9,-0.0 1,-0.1 0, 0.0 -0.828 23.4 172.4-102.4 124.0 15.1 19.4 -27.7 60 64 A L > + 0 0 5 -2,-0.5 3,-1.4 -10,-0.1 -15,-0.2 0.258 35.3 138.6-103.4 8.2 16.5 16.0 -26.9 61 65 A K T 3 + 0 0 148 1,-0.2 -2,-0.1 -11,-0.1 -17,-0.0 -0.221 60.6 26.9 -67.4 143.5 20.0 16.8 -27.9 62 66 A G T 3 S+ 0 0 76 1,-0.3 -1,-0.2 -17,-0.0 2,-0.0 0.388 84.8 149.1 91.8 -2.0 22.9 15.6 -25.8 63 67 A H < - 0 0 16 -3,-1.4 2,-0.4 -50,-0.0 -1,-0.3 -0.321 26.3-169.4 -70.7 149.2 21.0 12.6 -24.6 64 68 A R - 0 0 150 -20,-0.1 -20,-0.2 -2,-0.0 -23,-0.1 -0.975 28.7-112.8-141.8 121.4 22.8 9.4 -23.7 65 69 A G - 0 0 1 -22,-2.4 -23,-2.7 -2,-0.4 2,-0.4 -0.302 40.4-168.6 -55.7 130.5 21.1 6.0 -23.0 66 70 A T - 0 0 53 -25,-0.2 -30,-2.4 -54,-0.1 2,-0.3 -0.980 19.3-124.4-132.7 135.8 21.7 5.1 -19.3 67 71 A K B -c 36 0A 106 -2,-0.4 2,-0.3 -32,-0.2 -30,-0.2 -0.606 25.7-125.8 -80.6 131.4 21.2 1.9 -17.4 68 72 A F + 0 0 2 -32,-2.4 2,-0.3 -2,-0.3 -29,-0.1 -0.600 37.9 168.4 -74.3 134.3 19.0 2.1 -14.3 69 73 A T > - 0 0 57 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.957 48.6-113.8-141.6 160.1 20.6 0.7 -11.1 70 74 A S H > S+ 0 0 46 -2,-0.3 4,-1.1 23,-0.3 -1,-0.1 0.881 117.9 55.9 -59.9 -36.8 19.9 0.7 -7.4 71 75 A A H 4 S+ 0 0 53 1,-0.2 3,-0.4 2,-0.2 4,-0.3 0.894 106.9 48.2 -64.2 -41.9 23.0 2.9 -6.9 72 76 A L H >4 S+ 0 0 28 1,-0.2 3,-1.9 2,-0.2 -1,-0.2 0.878 104.0 60.4 -63.8 -40.0 21.7 5.5 -9.3 73 77 A A H >< S+ 0 0 1 -4,-1.9 3,-2.0 1,-0.3 -1,-0.2 0.824 91.3 70.6 -59.7 -29.5 18.4 5.6 -7.6 74 78 A R T 3< S+ 0 0 162 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.705 91.7 58.4 -61.2 -22.2 20.1 6.6 -4.4 75 79 A Q T < S+ 0 0 101 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.371 98.5 71.8 -91.8 3.9 20.8 10.1 -5.9 76 80 A Y < - 0 0 12 -3,-2.0 -71,-0.1 -4,-0.1 3,-0.1 -0.947 60.8-155.0-127.5 144.5 17.2 10.9 -6.5 77 81 A D S S+ 0 0 63 -73,-0.7 2,-0.3 -2,-0.4 -72,-0.2 0.638 86.3 27.9 -86.0 -16.7 14.3 11.8 -4.2 78 82 A L E -b 5 0A 4 -74,-1.0 -72,-3.0 -5,-0.1 2,-0.4 -0.974 62.9-158.2-152.5 129.5 11.6 10.6 -6.6 79 83 A L E -bd 6 101A 0 21,-2.5 23,-2.6 -2,-0.3 2,-0.5 -0.919 7.0-165.1-108.1 134.0 11.5 8.0 -9.4 80 84 A L E -bd 7 102A 0 -74,-2.6 -72,-3.4 -2,-0.4 2,-0.3 -0.968 10.6-169.4-121.0 115.8 8.8 8.2 -12.1 81 85 A V E -bd 8 103A 0 21,-2.2 23,-2.9 -2,-0.5 24,-0.4 -0.754 21.6-140.2-110.2 154.6 8.3 5.1 -14.2 82 86 A M S S+ 0 0 0 -74,-1.4 31,-2.3 -2,-0.3 2,-0.3 0.884 77.4 38.7 -80.9 -39.5 6.4 4.7 -17.4 83 87 A E >> - 0 0 28 29,-0.2 4,-0.9 1,-0.1 3,-0.9 -0.825 69.3-126.7-122.7 150.6 4.7 1.3 -16.9 84 88 A Y H >> S+ 0 0 33 -2,-0.3 3,-1.5 1,-0.3 4,-1.0 0.931 115.0 59.1 -50.7 -47.4 3.1 -0.8 -14.2 85 89 A S H 3> S+ 0 0 57 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.802 97.8 61.0 -55.5 -29.3 5.5 -3.6 -15.1 86 90 A H H <> S+ 0 0 1 -3,-0.9 4,-2.2 1,-0.2 -1,-0.3 0.814 93.4 63.8 -66.3 -32.2 8.3 -1.1 -14.3 87 91 A L H X + 0 0 4 -4,-3.4 3,-2.1 -5,-0.3 4,-0.9 -0.645 61.8 171.5-135.4 76.5 16.0 -1.5 -6.0 95 99 A P G >4 S+ 0 0 85 0, 0.0 3,-0.6 0, 0.0 4,-0.4 0.834 82.1 55.3 -54.5 -35.6 13.8 -2.6 -3.1 96 100 A E G 34 S+ 0 0 173 1,-0.2 -5,-0.1 2,-0.1 3,-0.1 0.541 106.0 52.3 -79.0 -5.7 14.8 0.5 -1.1 97 101 A A G X4 S+ 0 0 4 -3,-2.1 3,-2.1 -7,-0.3 -1,-0.2 0.588 83.3 86.2-101.8 -15.7 13.7 2.8 -3.9 98 102 A R G X< S+ 0 0 90 -4,-0.9 3,-1.4 -3,-0.6 -2,-0.1 0.804 81.1 64.1 -56.3 -32.0 10.2 1.4 -4.3 99 103 A G G 3 S+ 0 0 85 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.551 108.2 39.4 -71.8 -9.1 8.9 3.7 -1.6 100 104 A K G < S+ 0 0 53 -3,-2.1 -21,-2.5 2,-0.0 2,-0.4 0.035 95.1 106.1-127.3 22.9 9.7 6.8 -3.6 101 105 A T E < +d 79 0A 6 -3,-1.4 2,-0.3 -23,-0.2 -21,-0.2 -0.884 37.8 162.0-107.3 135.1 8.6 5.5 -7.0 102 106 A M E -d 80 0A 65 -23,-2.6 -21,-2.2 -2,-0.4 2,-0.1 -0.949 43.3 -87.1-141.4 163.8 5.4 6.5 -8.8 103 107 A L E > -d 81 0A 10 -2,-0.3 3,-1.4 -23,-0.2 -21,-0.2 -0.439 28.4-131.4 -68.6 144.8 4.1 6.3 -12.4 104 108 A F T 3 S+ 0 0 0 -23,-2.9 3,-0.4 1,-0.3 34,-0.1 0.895 112.1 43.5 -60.7 -40.6 4.9 9.1 -14.7 105 109 A G T > S+ 0 0 0 6,-0.8 3,-1.9 -24,-0.4 -1,-0.3 -0.025 75.4 128.1 -95.3 31.5 1.2 9.3 -15.6 106 110 A H T < S+ 0 0 57 -3,-1.4 -1,-0.2 1,-0.3 -2,-0.1 0.852 74.0 49.3 -53.9 -37.3 0.0 8.9 -12.1 107 111 A W T 3 S+ 0 0 84 -3,-0.4 -1,-0.3 -4,-0.2 2,-0.2 0.389 94.2 93.4 -88.5 2.1 -2.2 12.0 -12.4 108 112 A L S < S- 0 0 5 -3,-1.9 -3,-0.0 1,-0.1 22,-0.0 -0.652 84.9-118.3 -94.0 153.0 -3.8 10.9 -15.7 109 113 A D S S+ 0 0 109 -2,-0.2 2,-0.5 1,-0.2 -1,-0.1 0.950 115.1 35.6 -54.2 -54.1 -7.1 9.1 -15.9 110 114 A S S S- 0 0 32 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.917 83.8-164.2 -96.1 130.4 -5.2 6.2 -17.6 111 115 A K + 0 0 57 -2,-0.5 -6,-0.8 -5,-0.1 2,-0.3 0.672 51.9 92.7 -96.4 -19.9 -1.8 6.1 -15.9 112 116 A E - 0 0 41 -8,-0.1 -29,-0.2 -9,-0.1 -30,-0.1 -0.601 60.6-146.6 -85.6 133.5 0.4 4.0 -18.1 113 117 A I - 0 0 1 -31,-2.3 -98,-0.1 -2,-0.3 -9,-0.1 -0.869 28.7-134.7 -93.0 108.9 2.6 5.5 -20.8 114 118 A P - 0 0 63 0, 0.0 -31,-0.0 0, 0.0 -99,-0.0 -0.131 21.9 -98.7 -64.8 161.0 2.7 2.9 -23.6 115 119 A D - 0 0 47 1,-0.1 8,-0.0 2,-0.1 -106,-0.0 -0.730 35.4-179.6 -85.4 118.4 5.9 1.8 -25.3 116 120 A P > + 0 0 2 0, 0.0 3,-2.8 0, 0.0 -1,-0.1 0.509 33.6 134.3 -92.5 -9.7 6.3 3.6 -28.7 117 121 A Y T 3 S+ 0 0 25 1,-0.3 3,-0.1 7,-0.0 -2,-0.1 -0.166 81.1 2.3 -53.0 129.3 9.6 2.0 -29.7 118 122 A R T 3 S+ 0 0 61 1,-0.2 -1,-0.3 325,-0.0 2,-0.1 0.407 106.8 121.5 76.5 -0.5 9.5 0.8 -33.3 119 123 A M < - 0 0 101 -3,-2.8 -1,-0.2 1,-0.2 -71,-0.1 -0.270 67.9 -83.4 -89.8 178.2 6.0 2.2 -33.8 120 124 A S > - 0 0 52 -3,-0.1 4,-1.3 1,-0.1 3,-0.4 -0.147 43.6 -98.7 -75.4 173.8 4.7 4.7 -36.4 121 125 A D H > S+ 0 0 79 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.813 120.4 58.2 -62.2 -34.7 4.9 8.5 -36.0 122 126 A E H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.820 102.7 53.3 -72.1 -28.7 1.3 8.8 -34.9 123 127 A A H > S+ 0 0 15 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.861 110.6 48.8 -67.0 -35.9 2.0 6.5 -31.9 124 128 A F H X S+ 0 0 3 -4,-1.3 4,-2.8 2,-0.2 -2,-0.2 0.876 108.2 52.3 -70.2 -39.3 4.8 8.8 -31.1 125 129 A D H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 112.9 47.2 -56.4 -44.3 2.5 11.8 -31.4 126 130 A S H X S+ 0 0 24 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.948 112.9 45.7 -66.6 -50.8 0.2 10.1 -29.0 127 131 A V H X S+ 0 0 8 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.901 111.0 55.0 -60.0 -40.8 2.9 9.1 -26.5 128 132 A Y H X S+ 0 0 4 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.931 107.7 48.6 -56.3 -48.5 4.3 12.7 -26.6 129 133 A Q H X S+ 0 0 26 -4,-2.1 4,-2.7 72,-0.3 5,-0.2 0.914 111.4 49.9 -60.4 -43.2 1.0 14.2 -25.8 130 134 A L H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.915 111.9 47.7 -61.1 -44.5 0.5 11.8 -22.8 131 135 A L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.871 113.0 49.9 -63.1 -36.3 4.0 12.6 -21.5 132 136 A E H X S+ 0 0 46 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.932 113.1 44.0 -70.4 -46.4 3.3 16.3 -21.9 133 137 A Q H X S+ 0 0 33 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.902 115.0 49.5 -64.7 -42.6 -0.0 16.2 -20.1 134 138 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.889 110.7 51.8 -62.8 -39.7 1.4 13.9 -17.3 135 139 A S H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.887 106.0 52.4 -64.5 -44.9 4.4 16.4 -17.0 136 140 A K H X S+ 0 0 95 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.920 112.4 46.7 -58.4 -42.9 2.2 19.5 -16.6 137 141 A R H X S+ 0 0 77 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.883 110.1 51.1 -71.4 -37.5 0.3 17.7 -13.8 138 142 A W H X S+ 0 0 12 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.877 110.9 51.1 -63.3 -34.6 3.4 16.5 -12.0 139 143 A A H < S+ 0 0 15 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.872 104.4 55.8 -70.9 -36.7 4.7 20.0 -12.1 140 144 A E H >< S+ 0 0 146 -4,-1.9 3,-0.8 1,-0.2 -1,-0.2 0.880 111.1 46.4 -60.0 -37.0 1.5 21.4 -10.7 141 145 A K H 3< S+ 0 0 128 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.903 109.1 51.0 -73.5 -44.5 2.0 19.0 -7.7 142 146 A L T 3< 0 0 34 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.1 0.018 360.0 360.0 -86.6 30.1 5.7 19.8 -7.1 143 147 A G < 0 0 102 -3,-0.8 -1,-0.2 -5,-0.1 -2,-0.1 0.116 360.0 360.0-134.9 360.0 5.0 23.5 -7.0 144 !* 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 0.0 145 5 B M 0 0 208 0, 0.0 2,-1.0 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -58.1 -7.5 12.8 -56.6 146 6 B F + 0 0 86 1,-0.2 3,-0.1 140,-0.1 28,-0.0 -0.725 360.0 139.0-101.5 86.5 -8.6 12.9 -53.0 147 7 B D + 0 0 93 -2,-1.0 28,-1.4 1,-0.1 2,-0.4 0.637 62.5 54.0-100.7 -20.6 -6.7 15.8 -51.4 148 8 B S E -e 175 0B 18 -3,-0.2 74,-1.7 26,-0.2 73,-0.6 -0.968 65.7-168.3-121.2 133.5 -9.5 17.2 -49.3 149 9 B I E -ef 176 222B 0 26,-2.8 28,-2.4 -2,-0.4 2,-0.6 -0.979 9.1-165.4-131.4 129.4 -11.6 15.2 -46.7 150 10 B L E -ef 177 223B 0 72,-3.0 74,-2.4 -2,-0.4 2,-0.5 -0.926 11.5-156.3-113.4 111.0 -14.8 16.1 -44.8 151 11 B V E -ef 178 224B 0 26,-3.4 28,-2.2 -2,-0.6 2,-0.4 -0.749 16.3-165.1 -90.9 130.3 -15.6 13.9 -41.9 152 12 B I E +ef 179 225B 0 72,-3.2 74,-1.4 -2,-0.5 28,-0.2 -0.947 22.0 145.5-127.5 128.9 -19.3 13.9 -41.0 153 13 B C E -e 180 0B 3 26,-2.1 28,-2.2 -2,-0.4 29,-0.2 -0.456 53.7 -90.8-128.1-149.5 -21.4 12.8 -38.0 154 14 B T S S+ 0 0 16 26,-0.3 28,-2.9 27,-0.2 -1,-0.1 0.922 114.1 16.8 -93.6 -67.3 -24.5 14.1 -36.3 155 15 B G S S- 0 0 2 28,-0.2 29,-2.3 26,-0.1 25,-0.2 0.687 86.7-136.7 -79.0 -20.6 -23.6 16.5 -33.6 156 16 B N S S+ 0 0 0 23,-0.3 54,-0.2 27,-0.2 24,-0.1 0.887 84.8 93.0 56.8 42.0 -20.0 17.1 -34.8 157 17 B I S S+ 0 0 5 32,-0.1 33,-2.8 52,-0.1 36,-0.2 0.485 90.1 19.1-136.0 -18.7 -19.0 16.9 -31.1 158 18 B C S > S+ 0 0 4 31,-0.2 4,-1.3 35,-0.1 5,-0.1 0.643 126.1 21.6-114.8 -78.3 -18.1 13.2 -30.6 159 19 B R H > S+ 0 0 2 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.933 119.3 47.7 -67.1 -56.2 -17.2 11.1 -33.6 160 20 B S H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.809 110.0 52.2 -66.6 -29.8 -16.3 13.4 -36.4 161 21 B P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.937 114.1 45.6 -66.4 -42.5 -13.8 15.6 -34.3 162 22 B I H X S+ 0 0 3 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.937 114.9 46.4 -61.2 -46.8 -12.1 12.3 -33.3 163 23 B G H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.896 111.5 52.6 -65.1 -40.4 -12.1 10.9 -36.9 164 24 B E H X S+ 0 0 6 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.920 111.4 44.9 -58.9 -49.1 -10.8 14.2 -38.3 165 25 B R H X S+ 0 0 38 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.826 110.6 54.4 -70.0 -33.7 -7.9 14.4 -35.8 166 26 B L H X S+ 0 0 17 -4,-2.1 4,-1.7 -5,-0.2 3,-0.3 0.971 112.3 43.8 -60.4 -50.6 -7.0 10.8 -36.3 167 27 B L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.852 107.6 60.1 -65.1 -35.1 -6.8 11.3 -40.1 168 28 B R H < S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.907 106.6 46.3 -59.3 -42.1 -4.9 14.6 -39.6 169 29 B R H < S+ 0 0 62 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.903 118.1 43.1 -65.3 -38.9 -2.1 12.7 -37.9 170 30 B L H < S+ 0 0 36 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.764 125.7 31.4 -77.4 -28.0 -2.1 10.0 -40.5 171 31 B L >< + 0 0 20 -4,-2.8 3,-1.8 -5,-0.2 -1,-0.2 -0.540 66.2 168.7-134.5 68.8 -2.3 12.4 -43.5 172 32 B P T 3 S+ 0 0 112 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.628 72.6 59.4 -60.7 -20.1 -0.6 15.7 -42.6 173 33 B S T 3 S+ 0 0 105 2,-0.1 2,-0.3 0, 0.0 -5,-0.1 0.506 91.3 84.8 -90.3 -5.0 -0.6 17.1 -46.2 174 34 B K S < S- 0 0 32 -3,-1.8 2,-1.0 -6,-0.1 -26,-0.2 -0.682 80.9-116.0-103.4 153.0 -4.4 17.1 -46.7 175 35 B K E +e 148 0B 94 -28,-1.4 -26,-2.8 -2,-0.3 2,-0.5 -0.753 44.0 176.1 -81.6 104.7 -7.1 19.5 -45.8 176 36 B I E +e 149 0B 3 -2,-1.0 2,-0.2 -28,-0.2 -26,-0.2 -0.960 7.0 150.4-119.6 126.2 -9.2 17.5 -43.3 177 37 B N E -e 150 0B 51 -28,-2.4 -26,-3.4 -2,-0.5 2,-0.3 -0.812 26.1-131.7-145.0-179.2 -12.2 19.0 -41.5 178 38 B S E +e 151 0B 8 -28,-0.2 2,-0.3 -2,-0.2 -26,-0.2 -0.940 18.3 167.2-145.2 158.4 -15.6 18.0 -40.0 179 39 B A E -e 152 0B 0 -28,-2.2 -26,-2.1 -2,-0.3 2,-0.4 -0.968 21.8-129.7-160.8 171.0 -19.3 18.7 -39.7 180 40 B G E > -eg 153 211B 0 30,-2.5 32,-2.7 -2,-0.3 3,-0.8 -0.974 12.5-143.5-132.5 146.8 -22.6 17.3 -38.5 181 41 B V T 3 S+ 0 0 14 -28,-2.2 -27,-0.2 -2,-0.4 -26,-0.1 0.555 113.9 29.1 -84.0 -6.7 -26.0 16.9 -40.1 182 42 B G T 3 S- 0 0 30 -28,-2.9 -1,-0.3 -29,-0.2 -28,-0.1 -0.273 99.6-179.6-137.2 49.1 -27.5 17.7 -36.7 183 43 B A < - 0 0 14 -3,-0.8 2,-1.3 -30,-0.1 -27,-0.2 -0.123 37.5-136.9 -69.9 143.0 -24.7 19.9 -35.5 184 44 B L > - 0 0 11 -29,-2.3 3,-1.9 26,-0.1 25,-0.3 -0.750 41.2-139.4 -89.5 87.4 -24.3 21.6 -32.1 185 45 B V T 3 S+ 0 0 71 -2,-1.3 25,-0.2 1,-0.3 3,-0.1 -0.285 73.2 0.3 -66.4 124.0 -23.0 24.8 -33.8 186 46 B D T 3 S+ 0 0 102 23,-2.3 -1,-0.3 1,-0.3 2,-0.2 0.411 98.7 131.1 81.5 2.1 -20.2 26.6 -32.0 187 47 B H < - 0 0 58 -3,-1.9 22,-2.4 1,-0.1 -1,-0.3 -0.574 57.7-119.2 -82.7 147.6 -20.1 24.0 -29.3 188 48 B T - 0 0 102 -2,-0.2 20,-0.1 20,-0.2 3,-0.1 -0.240 47.0 -71.9 -72.7 171.9 -16.8 22.4 -28.2 189 49 B A - 0 0 4 15,-0.3 -31,-0.2 18,-0.2 -1,-0.2 -0.284 66.0 -86.5 -58.1 152.0 -16.2 18.7 -28.5 190 50 B D > - 0 0 35 -33,-2.8 4,-2.8 1,-0.1 5,-0.3 -0.325 31.4-123.2 -62.8 141.7 -18.1 16.6 -25.9 191 51 B E H > S+ 0 0 156 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.917 114.6 48.0 -52.3 -47.7 -16.4 16.2 -22.5 192 52 B S H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.843 110.4 52.7 -63.1 -33.8 -16.5 12.4 -22.9 193 53 B A H > S+ 0 0 0 2,-0.2 4,-2.4 -3,-0.2 -2,-0.2 0.960 110.8 45.9 -66.1 -50.3 -15.1 12.7 -26.4 194 54 B I H X S+ 0 0 54 -4,-2.8 4,-3.4 1,-0.2 5,-0.3 0.893 110.5 56.2 -56.4 -40.6 -12.2 14.8 -25.2 195 55 B R H X S+ 0 0 80 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.937 110.8 41.2 -60.2 -48.7 -11.7 12.3 -22.3 196 56 B V H X S+ 0 0 3 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.860 115.5 52.9 -69.3 -34.8 -11.3 9.3 -24.6 197 57 B A H ><>S+ 0 0 0 -4,-2.4 5,-2.4 -5,-0.2 3,-1.0 0.987 111.5 43.8 -58.9 -59.7 -9.2 11.3 -27.0 198 58 B E H ><5S+ 0 0 41 -4,-3.4 3,-2.3 1,-0.3 -2,-0.2 0.875 107.1 60.6 -58.3 -40.2 -6.8 12.4 -24.3 199 59 B K H 3<5S+ 0 0 56 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.872 110.8 41.8 -51.6 -39.6 -6.7 8.9 -22.9 200 60 B N T <<5S- 0 0 53 -4,-1.3 -1,-0.3 -3,-1.0 -2,-0.2 0.115 122.5-106.4 -97.7 21.7 -5.3 7.8 -26.2 201 61 B G T < 5S+ 0 0 0 -3,-2.3 2,-0.4 1,-0.2 -72,-0.3 0.827 76.3 135.8 59.8 34.3 -3.0 10.8 -26.6 202 62 B L < - 0 0 2 -5,-2.4 2,-0.5 -8,-0.2 -1,-0.2 -0.927 46.3-141.5-113.1 138.9 -5.2 12.5 -29.2 203 63 B C + 0 0 45 -2,-0.4 -9,-0.0 1,-0.1 -77,-0.0 -0.892 23.4 174.0-107.8 128.4 -5.9 16.2 -29.0 204 64 B L > + 0 0 7 -2,-0.5 3,-1.2 -10,-0.1 -15,-0.3 0.178 36.3 137.7-109.9 10.1 -9.3 17.6 -29.9 205 65 B K T 3 + 0 0 142 1,-0.2 3,-0.1 -11,-0.1 -2,-0.1 -0.239 60.2 29.6 -64.8 147.1 -8.5 21.2 -28.9 206 66 B G T 3 S+ 0 0 80 1,-0.3 -1,-0.2 -17,-0.0 2,-0.1 0.447 85.0 146.0 85.3 0.5 -9.7 24.1 -31.0 207 67 B H < - 0 0 20 -3,-1.2 2,-0.4 -50,-0.0 -1,-0.3 -0.393 28.3-168.7 -71.2 149.4 -12.7 22.2 -32.3 208 68 B R - 0 0 152 -20,-0.1 -20,-0.2 -3,-0.1 -23,-0.1 -0.976 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