==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAY-07 2YZO . COMPND 2 MOLECULE: PROBABLE 2-PHOSPHOSULFOLACTATE PHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR N.NAKAGAWA,Y.NAKAMURA,Y.BESSHO,S.YOKOYAMA,S.KURAMITSU,RIKEN . 447 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 338 75.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 6.5 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 . 8 1.8 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 . 44 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.6 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 3 2 6 0 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 4 6 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 . 10 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 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 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 A V 0 0 10 0, 0.0 160,-3.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 133.5 -2.4 -3.4 28.5 2 3 A D E -a 130 0A 14 127,-1.8 129,-2.8 158,-0.2 2,-0.4 -0.902 360.0-135.2-142.8 171.7 -3.3 -0.1 26.8 3 4 A V E -a 131 0A 0 -2,-0.3 361,-0.5 127,-0.2 2,-0.4 -0.988 13.5-170.7-132.2 139.3 -1.8 3.2 25.9 4 5 A V E -a 132 0A 5 127,-2.3 129,-2.8 -2,-0.4 2,-0.6 -0.987 14.4-144.2-130.9 141.3 -3.2 6.7 26.2 5 6 A M E S-a 133 0A 16 -2,-0.4 129,-0.2 1,-0.2 224,-0.1 -0.930 77.2 -25.3-109.0 114.1 -1.7 9.9 24.8 6 7 A A S S- 0 0 14 127,-3.3 -1,-0.2 -2,-0.6 128,-0.1 0.952 82.5-142.5 47.4 69.6 -2.1 13.0 27.0 7 8 A P - 0 0 9 0, 0.0 -1,-0.1 0, 0.0 95,-0.1 -0.301 12.0-156.8 -62.6 142.5 -5.3 11.9 28.9 8 9 A a S S+ 0 0 51 354,-0.2 -2,-0.0 222,-0.1 354,-0.0 0.840 73.3 31.1 -89.5 -38.9 -7.9 14.6 29.6 9 10 A S S S- 0 0 60 353,-0.1 -1,-0.1 1,-0.1 93,-0.1 -0.787 105.9 -68.3-118.7 163.8 -9.7 13.1 32.6 10 11 A P - 0 0 79 0, 0.0 2,-0.5 0, 0.0 93,-0.2 -0.263 49.4-157.4 -53.8 126.2 -8.6 10.8 35.4 11 12 A V E -k 103 0B 11 91,-3.3 93,-2.5 -4,-0.1 2,-0.3 -0.927 6.9-146.0-109.5 129.9 -7.8 7.3 34.0 12 13 A E E +k 104 0B 148 -2,-0.5 2,-0.2 91,-0.2 93,-0.2 -0.732 32.4 136.7-100.8 146.7 -7.8 4.3 36.3 13 14 A C - 0 0 13 91,-1.3 94,-0.3 -2,-0.3 93,-0.3 -0.852 55.0-116.9-178.9 145.6 -5.7 1.2 36.3 14 15 A R S S+ 0 0 115 -2,-0.2 93,-1.0 1,-0.2 2,-0.4 0.869 104.0 24.5 -59.4 -39.9 -3.9 -0.9 38.9 15 16 A T E S-bc 107 129A 0 113,-0.7 115,-2.1 91,-0.1 2,-0.3 -0.994 72.0-173.1-131.6 130.9 -0.4 -0.1 37.4 16 17 A A E -bc 108 130A 1 91,-3.4 93,-2.6 -2,-0.4 2,-0.5 -0.921 12.3-155.7-125.1 150.7 0.5 2.9 35.3 17 18 A V E -bc 109 131A 0 113,-2.4 115,-3.4 -2,-0.3 2,-0.4 -0.980 13.4-149.4-125.4 114.9 3.7 3.8 33.5 18 19 A V E -bc 110 132A 6 91,-3.1 93,-2.3 -2,-0.5 2,-0.5 -0.731 14.6-166.3 -87.2 131.6 4.3 7.5 32.9 19 20 A I E +bc 111 133A 0 113,-2.9 115,-2.8 -2,-0.4 116,-0.3 -0.977 31.1 143.4-126.1 122.7 6.2 8.3 29.7 20 21 A D > + 0 0 34 91,-0.7 5,-2.1 -2,-0.5 6,-1.1 -0.571 18.8 169.8-153.5 71.5 7.8 11.6 28.8 21 22 A V T 5 + 0 0 0 1,-0.2 2,-3.3 4,-0.2 5,-0.2 0.908 61.1 74.9 -57.9 -53.3 11.0 10.5 27.0 22 23 A L T 5S- 0 0 2 1,-0.1 2,-0.8 4,-0.1 -1,-0.2 -0.489 128.6 -54.9 -76.4 81.3 12.1 13.7 25.7 23 24 A R T >5S+ 0 0 2 -2,-3.3 4,-4.2 176,-0.2 5,-0.3 -0.725 117.4 77.4 90.7 -71.9 13.2 14.7 29.0 24 25 A A H >5S+ 0 0 9 -2,-0.8 4,-2.4 1,-0.3 -3,-0.2 0.820 111.1 29.8 -41.6 -56.5 10.9 14.6 32.1 25 26 A T H > S+ 0 0 0 -6,-1.1 4,-2.6 -5,-0.2 -2,-0.2 0.920 111.1 48.0 -66.7 -38.2 14.4 10.5 31.3 27 28 A T H X S+ 0 0 0 -4,-4.2 4,-2.9 2,-0.2 -2,-0.2 0.923 111.5 48.6 -65.4 -46.0 15.3 13.2 33.9 28 29 A I H X S+ 0 0 10 -4,-2.4 4,-2.2 -5,-0.3 5,-0.3 0.941 113.5 46.9 -59.7 -47.6 13.5 11.4 36.7 29 30 A V H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.928 115.5 45.3 -61.2 -46.1 15.2 8.1 35.8 30 31 A T H X S+ 0 0 2 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.933 112.0 51.3 -63.8 -47.3 18.7 9.7 35.5 31 32 A A H <>S+ 0 0 0 -4,-2.9 5,-2.3 1,-0.2 3,-0.2 0.932 115.7 39.9 -56.6 -50.8 18.4 11.8 38.7 32 33 A L H ><5S+ 0 0 6 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.872 112.3 56.0 -69.2 -36.5 17.3 8.8 40.9 33 34 A S H 3<5S+ 0 0 26 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.787 109.1 49.9 -65.6 -26.3 19.8 6.5 39.2 34 35 A N T 3<5S- 0 0 37 -4,-1.6 -1,-0.3 -3,-0.2 50,-0.3 0.159 132.1 -80.3-100.3 18.0 22.6 8.9 40.1 35 36 A G T < 5S+ 0 0 24 -3,-1.4 51,-2.4 1,-0.3 -3,-0.2 0.244 72.6 148.6 112.0 -18.2 21.8 9.4 43.8 36 37 A A < - 0 0 9 -5,-2.3 -1,-0.3 49,-0.2 52,-0.2 -0.214 46.2-136.8 -52.6 144.2 18.9 11.9 44.2 37 38 A S S S- 0 0 67 50,-2.0 185,-0.3 1,-0.3 2,-0.3 0.776 73.7 -38.6 -74.1 -28.6 16.8 11.1 47.2 38 39 A G E -d 88 0A 2 49,-0.7 51,-2.8 183,-0.1 2,-0.5 -0.943 51.9-117.7 176.5 167.3 13.6 11.7 45.3 39 40 A V E -dE 89 220A 0 181,-2.1 181,-2.8 -2,-0.3 51,-0.2 -0.973 21.7-159.3-129.6 116.1 12.0 13.8 42.7 40 41 A I E -d 90 0A 42 49,-3.2 51,-2.5 -2,-0.5 2,-0.3 -0.849 13.5-140.0 -99.7 113.9 9.0 15.9 43.6 41 42 A P E -d 91 0A 31 0, 0.0 2,-0.4 0, 0.0 51,-0.2 -0.563 23.9-172.4 -73.0 131.3 6.8 17.0 40.7 42 43 A V - 0 0 5 49,-2.5 51,-0.4 -2,-0.3 55,-0.3 -0.982 20.5-147.2-129.2 140.3 5.6 20.6 41.2 43 44 A K S S+ 0 0 94 -2,-0.4 2,-0.2 49,-0.1 -1,-0.1 0.983 74.6 35.0 -69.4 -64.1 3.0 22.6 39.1 44 45 A T S > S- 0 0 26 1,-0.1 4,-2.1 48,-0.0 5,-0.1 -0.593 70.2-126.8 -98.8 159.0 4.1 26.2 39.2 45 46 A I H > S+ 0 0 37 -2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.836 113.1 58.2 -65.9 -32.6 7.5 28.0 39.2 46 47 A E H > S+ 0 0 117 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.948 105.8 47.1 -61.6 -50.6 6.3 29.8 42.3 47 48 A E H > S+ 0 0 71 1,-0.2 4,-0.6 2,-0.2 3,-0.4 0.928 110.5 53.2 -56.3 -49.4 5.6 26.6 44.2 48 49 A A H >< S+ 0 0 0 -4,-2.1 3,-1.6 1,-0.2 -1,-0.2 0.916 107.0 50.6 -53.2 -50.4 9.0 25.2 43.2 49 50 A L H >< S+ 0 0 77 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.806 102.9 61.5 -60.8 -30.3 10.9 28.3 44.5 50 51 A E H 3< S+ 0 0 158 -4,-1.5 -1,-0.3 -3,-0.4 -2,-0.2 0.622 96.1 60.6 -72.5 -13.4 9.1 28.1 47.8 51 52 A K T << S+ 0 0 82 -3,-1.6 -1,-0.2 -4,-0.6 -2,-0.2 0.372 75.1 130.2 -94.9 4.4 10.5 24.6 48.5 52 53 A K < + 0 0 123 -3,-1.3 2,-0.3 -4,-0.1 5,-0.1 -0.326 28.4 116.4 -61.3 136.7 14.1 25.9 48.4 53 54 A K B > -F 56 0A 120 3,-0.5 3,-1.9 -2,-0.0 2,-0.1 -0.949 68.8 -44.3 176.9 174.5 16.2 24.8 51.4 54 55 A E T 3 S+ 0 0 195 -2,-0.3 3,-0.1 1,-0.3 0, 0.0 -0.349 125.2 18.0 -60.6 132.7 19.3 22.8 52.3 55 56 A G T 3 S+ 0 0 29 1,-0.2 33,-3.6 -2,-0.1 2,-0.4 0.468 106.8 103.9 85.4 1.9 19.4 19.5 50.5 56 57 A V E < -Fg 53 88A 6 -3,-1.9 -3,-0.5 31,-0.2 2,-0.4 -0.963 51.3-161.5-124.5 134.8 16.9 20.6 47.9 57 58 A L E - g 0 89A 21 31,-2.7 33,-3.2 -2,-0.4 2,-0.6 -0.925 15.1-140.3-112.9 134.3 17.5 21.6 44.3 58 59 A I E + g 0 90A 1 -2,-0.4 13,-2.7 31,-0.2 14,-1.3 -0.846 38.4 164.0 -93.9 119.8 14.9 23.6 42.3 59 60 A C E +hg 72 91A 0 31,-3.3 33,-1.9 -2,-0.6 2,-0.3 -0.884 9.3 82.7-135.0 166.1 14.8 22.2 38.8 60 61 A G E - g 0 92A 0 12,-1.2 2,-0.3 13,-0.6 33,-0.2 -0.940 49.0 -94.5 142.5-164.0 12.7 22.2 35.6 61 62 A E - 0 0 19 31,-2.1 2,-0.3 -2,-0.3 5,-0.2 -0.982 10.1-166.3-155.8 164.3 11.9 24.1 32.5 62 63 A R B > S+L 65 0C 58 3,-1.5 3,-2.0 -2,-0.3 -2,-0.0 -0.923 96.5 1.0-151.0 125.3 9.6 26.5 30.7 63 64 A N T 3 S- 0 0 137 -2,-0.3 3,-0.1 1,-0.3 -2,-0.0 0.801 131.5 -66.7 59.1 27.9 9.9 26.6 26.9 64 65 A A T 3 S+ 0 0 8 1,-0.2 10,-0.4 9,-0.0 2,-0.3 0.334 114.4 107.6 76.7 -3.8 12.6 23.9 27.4 65 66 A Q B < S-L 62 0C 119 -3,-2.0 -3,-1.5 8,-0.1 -1,-0.2 -0.776 78.8 -99.9-110.0 151.4 15.0 26.2 29.2 66 67 A K - 0 0 110 -2,-0.3 -5,-0.2 -5,-0.2 7,-0.1 -0.493 42.4-128.8 -67.6 122.5 16.0 26.5 32.9 67 68 A P > - 0 0 20 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.299 34.5 -82.7 -70.5 156.7 14.0 29.4 34.6 68 69 A K T 3 S+ 0 0 199 1,-0.3 3,-0.1 3,-0.0 0, 0.0 -0.314 116.4 25.0 -59.4 137.1 15.8 32.1 36.6 69 70 A G T 3 S+ 0 0 59 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.418 94.7 125.5 88.1 -2.5 16.6 31.1 40.1 70 71 A F < - 0 0 15 -3,-1.7 -1,-0.3 1,-0.1 -11,-0.2 -0.661 55.0-148.5 -92.4 148.0 16.6 27.4 39.3 71 72 A N S S+ 0 0 65 -13,-2.7 2,-0.3 -2,-0.3 -12,-0.2 0.907 80.5 12.2 -78.7 -47.0 19.6 25.1 40.0 72 73 A L B -h 59 0A 21 -14,-1.3 -12,-1.2 1,-0.1 -1,-0.2 -0.926 66.3-141.4-131.8 157.0 19.1 22.7 37.1 73 74 A G - 0 0 3 -2,-0.3 -13,-0.6 -14,-0.2 -12,-0.2 0.232 46.7 -82.5 -90.4-142.3 17.1 22.8 33.9 74 75 A N S S+ 0 0 8 -10,-0.4 -47,-0.1 -15,-0.1 -13,-0.1 -0.000 84.8 119.7-119.2 28.3 15.5 19.7 32.4 75 76 A S >> - 0 0 11 1,-0.2 3,-2.5 -15,-0.1 4,-0.5 -0.844 58.9-145.2 -93.6 117.6 18.4 18.2 30.6 76 77 A P G >4 S+ 0 0 1 0, 0.0 3,-1.4 0, 0.0 -1,-0.2 0.829 96.4 68.8 -49.9 -32.1 19.1 14.7 32.0 77 78 A L G 34 S+ 0 0 68 1,-0.3 3,-0.1 -3,-0.1 -3,-0.0 0.626 89.5 61.3 -64.4 -15.3 22.8 15.3 31.4 78 79 A E G <4 S+ 0 0 53 -3,-2.5 2,-2.0 1,-0.2 -1,-0.3 0.716 83.3 85.1 -82.0 -22.3 22.9 18.0 34.2 79 80 A Y << + 0 0 1 -3,-1.4 2,-0.2 -4,-0.5 -1,-0.2 -0.336 61.4 164.1 -81.6 59.7 21.9 15.4 36.8 80 81 A R >> - 0 0 138 -2,-2.0 3,-2.3 -3,-0.1 4,-1.5 -0.527 46.3-121.8 -78.9 141.4 25.4 14.1 37.5 81 82 A K H >> S+ 0 0 115 1,-0.3 4,-2.8 2,-0.2 3,-0.6 0.904 113.1 54.2 -47.4 -51.5 25.9 12.0 40.7 82 83 A E H 34 S+ 0 0 95 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.301 114.0 45.2 -71.1 14.5 28.5 14.4 42.1 83 84 A K H <4 S+ 0 0 119 -3,-2.3 -1,-0.2 4,-0.0 -2,-0.2 0.572 129.2 15.3-127.2 -23.9 25.9 17.2 41.6 84 85 A I H X< S+ 0 0 0 -4,-1.5 3,-2.8 -3,-0.6 -47,-0.3 0.419 80.3 136.4-132.4 -4.5 22.7 15.8 43.0 85 86 A S T 3< S+ 0 0 64 -4,-2.8 -49,-0.2 -5,-0.4 -50,-0.2 -0.248 85.1 4.5 -52.1 126.7 23.6 12.7 45.0 86 87 A G T 3 S+ 0 0 50 -51,-2.4 -1,-0.3 1,-0.3 2,-0.3 0.442 106.5 121.7 77.4 0.1 21.6 12.7 48.2 87 88 A K < - 0 0 75 -3,-2.8 -50,-2.0 -31,-0.0 -49,-0.7 -0.687 64.6-122.9 -98.8 149.4 19.7 15.8 47.2 88 89 A T E -dg 38 56A 42 -33,-3.6 -31,-2.7 -2,-0.3 2,-0.5 -0.769 27.4-143.4 -88.0 130.2 15.9 16.2 46.9 89 90 A I E -dg 39 57A 0 -51,-2.8 -49,-3.2 -2,-0.5 2,-0.7 -0.843 8.5-159.9-100.1 124.6 15.0 17.3 43.4 90 91 A V E -dg 40 58A 2 -33,-3.2 -31,-3.3 -2,-0.5 2,-0.5 -0.917 20.3-170.4 -99.6 115.5 12.1 19.7 43.0 91 92 A L E +dg 41 59A 11 -51,-2.5 -49,-2.5 -2,-0.7 2,-0.5 -0.937 14.8 174.1-117.8 123.2 11.0 19.3 39.3 92 93 A T E + g 0 60A 0 -33,-1.9 -31,-2.1 -2,-0.5 2,-0.3 -0.978 6.0 175.0-126.9 120.0 8.5 21.5 37.5 93 94 A T > - 0 0 11 -2,-0.5 3,-0.5 -51,-0.4 4,-0.4 -0.825 48.4 -92.7-118.5 162.1 7.9 21.1 33.8 94 95 A T T 3 S+ 0 0 48 -2,-0.3 -32,-0.0 1,-0.3 -1,-0.0 0.792 119.7 2.3 -40.0 -45.1 5.4 22.9 31.6 95 96 A N T 3> S+ 0 0 61 2,-0.1 4,-2.1 3,-0.0 -1,-0.3 0.232 93.3 121.8-132.7 14.2 2.7 20.2 32.0 96 97 A G H X> S+ 0 0 16 -3,-0.5 4,-2.2 1,-0.2 3,-0.6 0.915 83.1 35.4 -42.4 -71.0 4.2 17.7 34.4 97 98 A T H 3> S+ 0 0 15 -4,-0.4 4,-2.7 -55,-0.3 -1,-0.2 0.812 111.3 66.3 -57.8 -30.6 1.7 17.8 37.2 98 99 A Q H 34 S+ 0 0 50 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.930 109.4 35.1 -55.6 -49.2 -1.0 18.3 34.6 99 100 A V H X< S+ 0 0 18 -4,-2.1 3,-1.5 -3,-0.6 4,-0.3 0.933 116.3 53.2 -72.8 -47.8 -0.4 14.8 33.2 100 101 A I H >< S+ 0 0 31 -4,-2.2 3,-2.1 1,-0.3 -2,-0.2 0.883 101.0 62.2 -54.5 -42.5 0.4 13.1 36.5 101 102 A E T 3< S+ 0 0 106 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.717 96.2 60.0 -58.8 -22.5 -2.8 14.3 38.0 102 103 A K T < S+ 0 0 47 -3,-1.5 -91,-3.3 -4,-0.4 2,-1.0 0.572 82.6 96.5 -82.6 -9.1 -4.8 12.3 35.5 103 104 A I E < -k 11 0B 5 -3,-2.1 2,-1.4 -4,-0.3 -91,-0.2 -0.703 52.0-173.8 -90.5 101.8 -3.3 9.0 36.6 104 105 A R E +k 12 0B 124 -93,-2.5 -91,-1.3 -2,-1.0 2,-0.3 -0.640 41.6 119.6 -92.5 78.7 -5.6 7.4 39.1 105 106 A S - 0 0 24 -2,-1.4 -91,-0.2 -93,-0.2 3,-0.1 -0.999 59.8-147.7-144.8 145.8 -3.4 4.5 40.1 106 107 A E S S+ 0 0 199 -2,-0.3 2,-0.6 -93,-0.3 111,-0.1 0.750 96.8 52.4 -81.6 -23.4 -1.8 3.2 43.3 107 108 A E E +b 15 0A 40 -93,-1.0 -91,-3.4 -94,-0.3 2,-0.5 -0.926 68.3 164.4-118.6 108.5 1.2 1.9 41.3 108 109 A I E -b 16 0A 13 -2,-0.6 107,-2.8 107,-0.4 2,-0.3 -0.978 8.5-180.0-127.7 120.7 2.9 4.5 39.1 109 110 A I E -bI 17 214A 0 -93,-2.6 -91,-3.1 -2,-0.5 2,-0.4 -0.814 24.0-124.1-118.5 159.9 6.3 4.1 37.6 110 111 A A E -b 18 0A 0 103,-2.3 2,-0.4 -2,-0.3 -91,-0.2 -0.863 27.4-167.4-104.2 134.4 8.5 6.2 35.3 111 112 A A E +b 19 0A 0 -93,-2.3 -91,-0.7 -2,-0.4 2,-0.3 -0.934 16.2 154.7-126.8 147.0 9.8 4.9 32.0 112 113 A S > - 0 0 0 -2,-0.4 3,-0.9 -93,-0.1 7,-0.2 -0.910 58.0-100.0-150.6 171.2 12.4 6.0 29.5 113 114 A F G > S+ 0 0 0 90,-0.7 94,-2.1 -2,-0.3 3,-1.4 0.867 119.3 70.9 -64.7 -31.3 14.6 4.2 26.9 114 115 A L G 3 S+ 0 0 0 89,-0.4 95,-2.4 92,-0.3 94,-0.8 0.776 114.0 20.9 -54.2 -32.8 17.3 4.6 29.6 115 116 A N G <> S+ 0 0 0 -3,-0.9 4,-2.4 92,-0.2 -1,-0.3 0.005 84.7 132.0-128.5 30.7 15.6 2.0 31.8 116 117 A L H <> S+ 0 0 2 -3,-1.4 4,-2.6 1,-0.2 5,-0.2 0.893 74.3 42.9 -49.0 -57.1 13.5 0.1 29.2 117 118 A S H > S+ 0 0 40 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.899 113.4 54.0 -62.3 -38.2 14.4 -3.5 30.2 118 119 A A H > S+ 0 0 18 91,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.888 110.2 47.0 -61.7 -40.4 14.2 -2.7 33.9 119 120 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.917 111.2 51.9 -67.4 -42.8 10.6 -1.4 33.3 120 121 A V H X S+ 0 0 8 -4,-2.6 4,-0.8 1,-0.2 -2,-0.2 0.930 110.5 47.1 -59.4 -47.2 9.7 -4.4 31.2 121 122 A E H >< S+ 0 0 138 -4,-2.7 3,-0.5 1,-0.2 4,-0.4 0.878 110.6 53.5 -63.0 -38.3 10.9 -6.9 33.9 122 123 A Y H >< S+ 0 0 52 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.879 110.4 46.6 -62.5 -40.4 9.0 -4.9 36.6 123 124 A L H >< S+ 0 0 0 -4,-2.0 3,-1.9 1,-0.2 -1,-0.2 0.542 85.1 92.9 -81.4 -9.4 5.8 -5.1 34.6 124 125 A K T << S+ 0 0 89 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.822 92.5 40.8 -54.4 -33.9 6.1 -8.8 33.9 125 126 A S T < S+ 0 0 95 -3,-0.6 2,-0.5 -4,-0.4 -1,-0.3 -0.055 92.0 111.7-107.2 32.7 4.0 -9.6 37.0 126 127 A K < - 0 0 23 -3,-1.9 3,-0.1 1,-0.2 -111,-0.0 -0.926 49.7-159.6-113.5 126.1 1.4 -6.9 36.6 127 128 A E S S+ 0 0 147 -2,-0.5 2,-0.4 1,-0.2 -1,-0.2 0.992 77.6 24.3 -59.1 -83.9 -2.2 -7.6 35.8 128 129 A D S S- 0 0 78 -127,-0.0 -113,-0.7 2,-0.0 2,-0.4 -0.729 73.3-177.7 -91.1 135.2 -3.7 -4.4 34.4 129 130 A I E - c 0 15A 2 -2,-0.4 -127,-1.8 -115,-0.1 2,-0.5 -0.995 14.0-172.6-139.1 133.2 -1.3 -1.9 32.9 130 131 A L E -ac 2 16A 2 -115,-2.1 -113,-2.4 -2,-0.4 2,-0.7 -0.988 12.8-153.7-126.2 120.3 -1.8 1.6 31.4 131 132 A L E -ac 3 17A 0 -129,-2.8 -127,-2.3 -2,-0.5 2,-0.7 -0.868 14.9-159.4 -93.4 118.4 1.1 3.3 29.6 132 133 A V E -ac 4 18A 0 -115,-3.4 -113,-2.9 -2,-0.7 2,-0.4 -0.872 2.8-160.3-107.5 104.9 0.5 7.0 29.9 133 134 A C E -ac 5 19A 0 -129,-2.8 -127,-3.3 -2,-0.7 -113,-0.2 -0.696 11.8-145.1 -83.0 133.3 2.3 9.2 27.3 134 135 A A - 0 0 13 -115,-2.8 4,-0.3 -2,-0.4 -114,-0.1 0.799 29.4-151.7 -69.8 -32.0 2.6 12.8 28.4 135 136 A G - 0 0 12 -116,-0.3 2,-0.5 6,-0.1 5,-0.2 -0.159 23.6 -82.1 81.9 175.6 2.2 14.4 24.9 136 137 A T B > S-M 139 0D 20 3,-2.6 3,-2.2 1,-0.1 -1,-0.1 -0.917 96.4 -33.8-125.2 102.8 3.7 17.7 23.8 137 138 A N T 3 S- 0 0 112 -2,-0.5 3,-0.1 1,-0.3 -1,-0.1 0.876 125.4 -47.1 53.1 40.0 1.6 20.7 24.8 138 139 A G T 3 S+ 0 0 37 1,-0.3 -1,-0.3 -4,-0.3 94,-0.2 0.331 120.2 109.9 87.0 -8.8 -1.5 18.6 24.3 139 140 A R B < S-M 136 0D 82 -3,-2.2 -3,-2.6 1,-0.1 -1,-0.3 -0.531 81.3 -76.3 -97.1 167.1 -0.4 17.2 20.9 140 141 A F - 0 0 5 87,-0.5 2,-0.7 -5,-0.2 246,-0.3 -0.335 39.7-147.3 -62.0 135.6 0.8 13.7 20.0 141 142 A S > - 0 0 0 1,-0.2 4,-2.2 245,-0.1 3,-0.2 -0.906 7.9-166.4-109.6 106.5 4.3 12.8 21.1 142 143 A L H > S+ 0 0 0 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.911 87.2 51.8 -58.3 -45.8 6.0 10.5 18.7 143 144 A E H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.852 110.6 48.3 -62.0 -35.2 8.9 9.6 21.0 144 145 A D H > S+ 0 0 0 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.919 111.6 49.4 -69.5 -43.5 6.5 8.7 23.8 145 146 A F H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.889 109.6 53.2 -62.2 -39.4 4.4 6.5 21.6 146 147 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.928 110.1 45.9 -64.0 -44.9 7.5 4.8 20.3 147 148 A L H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.920 111.3 53.5 -64.1 -41.3 8.7 3.9 23.8 148 149 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.930 110.1 47.6 -58.0 -44.9 5.2 2.7 24.6 149 150 A G H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.885 109.1 52.9 -62.9 -40.7 5.2 0.4 21.6 150 151 A A H X S+ 0 0 3 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.901 111.1 48.3 -60.8 -42.2 8.7 -1.0 22.5 151 152 A I H X S+ 0 0 1 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.931 110.0 49.7 -64.2 -48.8 7.4 -1.8 26.0 152 153 A V H X>S+ 0 0 3 -4,-2.5 4,-0.8 1,-0.2 5,-0.7 0.925 109.4 53.7 -57.3 -44.4 4.2 -3.5 24.7 153 154 A K H ><5S+ 0 0 70 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.921 111.1 45.0 -55.6 -48.3 6.3 -5.6 22.3 154 155 A R H 3<5S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.713 100.8 67.3 -71.9 -22.5 8.6 -6.8 25.1 155 156 A L H 3<5S- 0 0 6 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.748 90.9-146.4 -69.3 -23.8 5.7 -7.6 27.5 156 157 A K T <<5 + 0 0 152 -4,-0.8 2,-0.2 -3,-0.8 -3,-0.1 0.923 41.1 155.8 57.3 47.8 4.6 -10.4 25.1 157 158 A R < - 0 0 62 -5,-0.7 -1,-0.2 1,-0.1 3,-0.1 -0.677 41.0-165.4-104.4 160.5 0.9 -9.8 26.0 158 159 A N S S+ 0 0 148 -2,-0.2 2,-1.8 1,-0.1 -1,-0.1 0.609 75.7 82.2-112.6 -26.7 -2.2 -10.6 23.9 159 160 A D + 0 0 71 -157,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.498 63.7 157.3 -83.3 70.2 -4.6 -8.5 25.9 160 161 A L - 0 0 34 -2,-1.8 -158,-0.2 -3,-0.1 2,-0.0 -0.823 33.2-143.1-103.6 133.2 -3.9 -5.2 24.3 161 162 A G > - 0 0 17 -160,-3.5 4,-2.2 -2,-0.4 5,-0.2 -0.236 43.2 -86.2 -78.1 176.3 -6.2 -2.2 24.2 162 163 A D H > S+ 0 0 2 202,-0.3 4,-2.5 1,-0.2 5,-0.2 0.887 127.1 49.5 -52.2 -48.6 -6.4 0.1 21.1 163 164 A G H > S+ 0 0 0 -160,-0.3 4,-2.2 201,-0.2 -1,-0.2 0.889 110.8 49.1 -62.4 -40.7 -3.5 2.3 22.1 164 165 A A H > S+ 0 0 0 -163,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.909 112.1 48.4 -66.7 -41.6 -1.2 -0.6 22.8 165 166 A H H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.935 113.6 46.3 -64.3 -45.9 -1.9 -2.3 19.5 166 167 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.875 113.5 49.9 -65.2 -35.9 -1.4 0.9 17.5 167 168 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -18,-0.2 0.902 110.9 48.6 -69.4 -41.7 1.8 1.7 19.4 168 169 A E H X S+ 0 0 36 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.928 112.3 48.3 -64.6 -43.5 3.2 -1.8 18.9 169 170 A R H X S+ 0 0 51 -4,-2.4 4,-0.6 2,-0.2 -1,-0.2 0.872 112.4 49.5 -63.1 -38.5 2.4 -1.7 15.1 170 171 A Y H >X S+ 0 0 0 -4,-1.9 3,-1.8 -5,-0.2 4,-0.6 0.958 108.3 52.6 -64.9 -48.9 4.0 1.7 14.9 171 172 A F H >< S+ 0 0 51 -4,-2.8 3,-1.3 1,-0.3 -2,-0.2 0.868 103.9 58.2 -52.9 -39.5 7.1 0.5 16.7 172 173 A E H 3< S+ 0 0 88 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.713 99.8 58.5 -65.5 -19.4 7.4 -2.4 14.2 173 174 A S H << S+ 0 0 29 -3,-1.8 2,-0.5 -4,-0.6 -1,-0.3 0.626 86.2 98.1 -85.0 -12.8 7.6 0.1 11.4 174 175 A V << - 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0 0 58 1,-0.2 4,-2.8 2,-0.0 -1,-0.3 -0.906 62.7-159.6-142.4 109.9 -7.5 -5.4 6.0 401 178 B T H > S+ 0 0 20 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.933 94.0 48.4 -51.7 -55.9 -9.1 -2.4 7.6 402 179 B R H > S+ 0 0 84 26,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 116.0 42.7 -53.4 -49.4 -12.4 -4.3 8.5 403 180 B E H > S+ 0 0 95 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.877 111.5 55.7 -66.2 -39.3 -10.5 -7.2 10.0 404 181 B E H X S+ 0 0 14 -4,-2.8 4,-1.9 1,-0.2 5,-0.2 0.942 111.7 43.7 -57.7 -48.8 -8.1 -5.0 11.8 405 182 B I H X S+ 0 0 0 -4,-2.6 4,-1.8 -5,-0.2 7,-0.2 0.881 112.4 51.2 -66.8 -40.2 -10.9 -3.1 13.5 406 183 B K H < S+ 0 0 51 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.900 117.7 39.7 -65.0 -38.8 -12.9 -6.3 14.4 407 184 B K H < S+ 0 0 124 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.729 129.4 23.1 -83.7 -24.3 -9.9 -7.9 16.0 408 185 B H H < S+ 0 0 56 -4,-1.9 2,-0.7 -5,-0.2 -3,-0.2 0.476 90.8 96.1-126.9 -0.9 -8.3 -4.9 17.8 409 186 B S X - 0 0 0 -4,-1.8 4,-2.1 -5,-0.2 5,-0.1 -0.834 51.8-161.2 -93.5 117.6 -10.8 -2.2 18.5 410 187 B S H > S+ 0 0 65 -2,-0.7 4,-2.2 1,-0.2 -1,-0.2 0.879 94.9 51.0 -64.7 -35.5 -12.2 -2.5 22.0 411 188 B H H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.882 105.7 54.6 -69.4 -35.9 -15.2 -0.3 21.0 412 189 B A H > S+ 0 0 0 -7,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.938 108.4 51.2 -59.5 -44.2 -15.8 -2.5 18.0 413 190 B K H X S+ 0 0 105 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.923 108.3 50.4 -56.6 -49.4 -16.0 -5.4 20.4 414 191 B R H X S+ 0 0 80 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.919 111.1 48.8 -57.2 -45.0 -18.5 -3.7 22.6 415 192 B L H <>S+ 0 0 0 -4,-2.5 5,-3.1 1,-0.2 3,-0.4 0.895 112.0 48.6 -63.0 -40.8 -20.7 -2.9 19.6 416 193 B I H ><5S+ 0 0 50 -4,-2.6 3,-1.7 4,-0.2 5,-0.4 0.919 107.5 55.7 -65.5 -40.7 -20.5 -6.6 18.5 417 194 B S H 3<5S+ 0 0 94 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.760 107.7 49.5 -63.3 -24.5 -21.3 -7.7 22.0 418 195 B L T 3<5S- 0 0 63 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.400 127.9 -97.7 -93.8 1.0 -24.5 -5.6 21.9 419 196 B G T < 5S+ 0 0 64 -3,-1.7 3,-0.3 -4,-0.2 -3,-0.2 0.642 90.9 118.3 94.0 17.6 -25.5 -7.0 18.6 420 197 B F >>< + 0 0 51 -5,-3.1 3,-1.4 1,-0.2 4,-1.0 0.007 24.1 124.7-104.2 29.0 -24.3 -4.2 16.3 421 198 B E H >> + 0 0 77 -5,-0.4 4,-1.5 1,-0.3 3,-0.6 0.869 69.9 63.1 -56.3 -34.7 -21.7 -6.3 14.3 422 199 B N H 3> S+ 0 0 104 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.840 97.1 58.5 -58.2 -32.7 -23.5 -5.2 11.1 423 200 B D H <> S+ 0 0 3 -3,-1.4 4,-3.2 1,-0.2 -1,-0.2 0.865 101.0 54.7 -65.2 -36.4 -22.5 -1.6 11.9 424 201 B I H < S+ 0 0 36 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.948 112.3 51.4 -66.7 -48.3 -21.1 -0.9 7.2 427 204 B C H 3< S+ 0 0 0 -4,-3.2 -90,-0.5 1,-0.3 -89,-0.3 0.619 109.1 51.4 -66.6 -12.6 -18.8 1.6 8.9 428 205 B T T 3< S+ 0 0 10 -4,-0.7 2,-0.7 -3,-0.4 -1,-0.3 0.156 81.9 111.6-107.8 16.0 -15.7 -0.0 7.3 429 206 B T X - 0 0 41 -3,-1.9 3,-0.6 -27,-0.1 2,-0.3 -0.827 66.7-135.4 -91.3 116.2 -17.1 0.1 3.8 430 207 B E T 3 - 0 0 85 -2,-0.7 -92,-0.3 1,-0.2 -93,-0.1 -0.564 68.7 -8.2 -83.1 134.8 -15.1 2.6 1.9 431 208 B D T 3 S+ 0 0 63 -94,-2.2 -1,-0.2 -2,-0.3 -92,-0.2 0.802 71.7 142.6 55.9 39.8 -16.5 5.2 -0.4 432 209 B L S < S+ 0 0 87 -3,-0.6 2,-0.3 -94,-0.3 -93,-0.2 0.795 77.4 36.4 -72.7 -26.2 -20.1 4.0 -0.3 433 210 B F - 0 0 36 -95,-2.8 -91,-0.3 2,-0.1 -92,-0.2 -0.832 62.7-158.0-124.1 161.9 -20.8 7.8 -0.4 434 211 B K + 0 0 177 -2,-0.3 2,-0.1 -93,-0.1 -95,-0.1 0.023 56.7 112.9-127.4 25.6 -19.1 10.8 -2.1 435 212 B T - 0 0 31 -97,-0.1 -92,-0.1 -182,-0.0 -93,-0.1 -0.461 50.4-151.7 -97.3 169.5 -20.4 13.6 0.3 436 213 B V - 0 0 12 11,-0.3 11,-0.8 -2,-0.1 9,-0.1 -0.760 12.9-152.5-144.8 91.7 -18.6 15.9 2.7 437 214 B P E - W 0 446E 0 0, 0.0 -103,-1.8 0, 0.0 2,-0.4 -0.368 12.9-167.3 -65.3 143.5 -20.6 17.2 5.7 438 215 B A E -VW 333 445E 7 7,-2.5 7,-2.4 -105,-0.2 2,-0.9 -0.992 25.8-117.7-134.0 139.8 -19.5 20.5 7.1 439 216 B L E + W 0 444E 41 -107,-3.4 2,-0.6 -2,-0.4 -107,-0.4 -0.683 38.1 177.7 -80.2 108.8 -20.5 22.1 10.4 440 217 B V E > - W 0 443E 76 3,-3.7 3,-0.8 -2,-0.9 -2,-0.0 -0.945 68.1 -23.6-119.9 112.0 -22.3 25.3 9.4 441 218 B N T 3 S- 0 0 162 -2,-0.6 -1,-0.2 1,-0.3 3,-0.1 0.900 130.1 -44.3 56.4 47.3 -23.8 27.4 12.3 442 219 B G T 3 S+ 0 0 40 1,-0.1 2,-0.4 -3,-0.1 -1,-0.3 0.559 123.9 98.7 78.4 8.7 -24.0 24.4 14.6 443 220 B V E < - W 0 440E 38 -3,-0.8 -3,-3.7 -179,-0.2 2,-0.5 -0.989 68.6-134.7-135.2 129.7 -25.4 22.1 11.9 444 221 B F E +RW 263 439E 0 -181,-2.5 -181,-1.7 -2,-0.4 2,-0.3 -0.695 41.1 158.5 -79.2 122.4 -23.7 19.5 9.7 445 222 B I E - W 0 438E 62 -7,-2.4 -7,-2.5 -2,-0.5 2,-0.3 -0.850 43.1 -86.6-136.5 172.1 -25.0 20.0 6.1 446 223 B L E - W 0 437E 75 -2,-0.3 2,-0.3 -185,-0.2 -11,-0.0 -0.626 35.9-160.0 -88.6 143.4 -23.7 19.1 2.7 447 224 B K 0 0 55 -11,-0.8 -11,-0.3 -2,-0.3 0, 0.0 -0.871 360.0 360.0-117.6 152.0 -21.3 21.3 0.8 448 225 B E 0 0 245 -2,-0.3 -1,-0.2 -13,-0.1 -12,-0.1 0.931 360.0 360.0 -69.7 360.0 -20.6 21.3 -3.0