==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 02-SEP-08 3ED4 . COMPND 2 MOLECULE: ARYLSULFATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR Y.PATSKOVSKY,S.OZYURT,M.GILMORE,S.CHANG,K.BAIN,S.WASSERMAN,J . 1883 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 66444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1145 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 7.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 159 8.4 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.4 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 . 120 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 206 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 374 19.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 1.9 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 14 10 3 1 4 4 4 0 0 0 2 2 0 0 0 4 0 0 1 3 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 4 0 8 4 4 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 . 12 8 4 5 11 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 4 4 0 0 0 0 0 4 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 42 A Q 0 0 144 0, 0.0 347,-0.1 0, 0.0 348,-0.1 0.000 360.0 360.0 360.0 103.7 27.3 33.6 71.1 2 43 A P - 0 0 13 0, 0.0 269,-0.2 0, 0.0 2,-0.1 -0.300 360.0-122.5 -74.0 146.2 30.5 32.5 69.4 3 44 A N E -a 271 0A 9 267,-2.2 269,-3.0 264,-0.2 2,-0.4 -0.428 25.5-146.4 -72.3 156.7 33.8 34.4 69.0 4 45 A L E -ab 272 192A 0 187,-2.6 189,-2.5 267,-0.2 2,-0.4 -0.998 16.6-177.9-130.4 130.0 35.1 35.0 65.5 5 46 A V E -ab 273 193A 0 267,-2.9 269,-2.6 -2,-0.4 2,-0.7 -0.955 5.0-170.5-125.3 112.2 38.7 35.1 64.4 6 47 A I E -ab 274 194A 1 187,-2.6 189,-2.4 -2,-0.4 2,-0.6 -0.916 6.5-164.5-100.5 114.8 39.4 35.8 60.7 7 48 A I E -ab 275 195A 0 267,-3.4 269,-2.5 -2,-0.7 2,-0.6 -0.897 5.7-167.4-101.8 115.1 43.0 35.3 59.8 8 49 A M E -ab 276 196A 0 187,-2.5 189,-0.9 -2,-0.6 269,-0.2 -0.929 4.6-160.4-111.4 111.7 44.0 36.9 56.5 9 50 A A E -a 277 0A 0 267,-2.9 269,-1.6 -2,-0.6 2,-0.5 -0.529 22.1-122.6 -76.8 156.5 47.3 36.1 54.8 10 51 A D S S- 0 0 1 189,-2.9 3,-0.1 267,-0.2 267,-0.0 -0.921 79.7 -17.8-113.7 119.9 48.6 38.5 52.1 11 52 A D S S+ 0 0 4 -2,-0.5 2,-0.6 1,-0.2 271,-0.4 0.775 85.7 163.4 60.3 28.5 49.3 37.2 48.6 12 53 A L - 0 0 0 187,-0.2 -1,-0.2 -3,-0.1 267,-0.2 -0.704 30.9-133.1 -85.2 124.3 49.5 33.6 49.8 13 54 A G > - 0 0 0 -2,-0.6 3,-1.6 267,-0.2 285,-0.2 -0.265 15.4-113.6 -80.4 161.1 49.2 31.2 46.9 14 55 A Y T 3 S+ 0 0 13 300,-0.5 3,-0.3 1,-0.3 284,-0.2 0.787 120.6 38.3 -59.1 -32.3 47.0 28.1 46.4 15 56 A G T 3 S+ 0 0 5 282,-2.2 -1,-0.3 1,-0.2 283,-0.2 0.195 89.8 98.0-103.9 14.4 50.2 25.9 46.4 16 57 A D S < S+ 0 0 0 -3,-1.6 2,-0.3 281,-0.4 -1,-0.2 0.409 71.2 70.2 -85.4 0.4 52.0 27.9 49.1 17 58 A L S > >S- 0 0 0 -3,-0.3 5,-2.2 -4,-0.2 3,-0.9 -0.919 77.9-130.0-118.6 149.4 51.1 25.6 52.1 18 59 A A G > 5S+ 0 0 29 -2,-0.3 3,-2.2 1,-0.2 -1,-0.1 0.909 111.4 55.5 -57.9 -42.1 52.3 22.0 52.9 19 60 A T G 3 5S+ 0 0 33 1,-0.3 -1,-0.2 8,-0.2 -3,-0.0 0.652 106.5 52.2 -69.0 -15.5 48.6 20.9 53.4 20 61 A Y G < 5S- 0 0 15 -3,-0.9 -1,-0.3 -5,-0.0 -2,-0.2 0.080 134.7 -87.8-104.0 19.9 47.9 22.2 49.9 21 62 A G T < 5 + 0 0 37 -3,-2.2 -3,-0.2 1,-0.3 2,-0.2 0.449 67.4 158.9 99.7 0.4 50.8 20.2 48.5 22 63 A H < - 0 0 17 -5,-2.2 -1,-0.3 1,-0.1 -6,-0.1 -0.419 28.8-154.1 -62.4 127.9 54.0 22.4 48.7 23 64 A Q S S+ 0 0 33 -2,-0.2 -1,-0.1 1,-0.1 671,-0.1 0.453 82.9 26.6 -87.5 -3.6 56.9 19.9 48.6 24 65 A I S S+ 0 0 22 669,-0.1 -1,-0.1 190,-0.0 -2,-0.1 0.705 93.6 91.2-125.0 -48.6 59.5 22.0 50.5 25 66 A V - 0 0 4 1,-0.1 2,-0.6 2,-0.0 221,-0.1 -0.218 61.1-140.0 -66.9 142.0 57.8 24.5 53.0 26 67 A K + 0 0 136 219,-0.2 226,-0.1 -9,-0.1 -1,-0.1 -0.922 30.7 161.0-102.1 112.5 57.1 23.6 56.6 27 68 A T > + 0 0 1 -2,-0.6 4,-2.2 1,-0.1 -8,-0.2 -0.488 4.8 159.1-127.2 63.8 53.8 24.9 57.8 28 69 A P H > S+ 0 0 67 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.824 71.7 50.5 -59.7 -37.7 52.9 22.8 60.9 29 70 A N H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 224,-0.1 0.911 114.6 40.4 -70.4 -44.4 50.4 25.2 62.5 30 71 A I H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.854 114.1 55.6 -72.4 -35.4 48.2 25.8 59.5 31 72 A D H X S+ 0 0 33 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.937 109.3 46.6 -59.5 -48.7 48.5 22.0 58.6 32 73 A R H X S+ 0 0 96 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.889 107.9 56.9 -59.5 -41.6 47.2 21.2 62.1 33 74 A L H < S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.916 107.4 48.3 -56.0 -44.5 44.4 23.8 61.7 34 75 A A H >< S+ 0 0 6 -4,-2.1 3,-0.9 1,-0.2 294,-0.5 0.849 108.9 53.5 -61.8 -39.9 43.3 21.9 58.5 35 76 A Q H 3< S+ 0 0 129 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.799 112.5 44.7 -63.8 -32.7 43.4 18.6 60.4 36 77 A E T 3< S+ 0 0 55 -4,-1.8 285,-0.3 291,-0.2 -1,-0.2 0.309 125.1 19.8 -93.6 4.8 41.1 20.1 63.1 37 78 A G S < S- 0 0 0 -3,-0.9 291,-1.3 -5,-0.1 292,-0.8 -0.609 95.1 -60.7-147.1-155.2 38.7 21.7 60.6 38 79 A V E -Cd 319 329A 0 281,-2.9 281,-2.5 -2,-0.2 2,-0.4 -0.942 40.4-159.1-110.9 126.2 37.4 21.9 57.1 39 80 A K E -Cd 318 330A 30 290,-2.4 292,-2.7 -2,-0.5 2,-0.5 -0.914 6.9-147.2-109.0 130.7 39.8 22.6 54.2 40 81 A F E -Cd 317 331A 0 277,-2.8 277,-0.6 -2,-0.4 3,-0.4 -0.845 15.5-177.6-101.2 125.8 38.4 24.0 50.9 41 82 A T S S+ 0 0 30 290,-2.8 291,-0.2 -2,-0.5 -1,-0.1 0.503 86.3 44.3 -96.4 -7.4 40.3 23.0 47.7 42 83 A D S S+ 0 0 26 289,-0.6 293,-2.1 291,-0.4 2,-0.4 -0.295 80.3 133.6-131.7 47.0 38.0 25.1 45.4 43 84 A Y E -j 335 0B 1 -3,-0.4 272,-2.2 272,-0.4 2,-0.4 -0.842 35.5-160.6 -98.0 138.4 37.8 28.4 47.4 44 85 A Y E -jK 336 314B 0 291,-1.9 293,-2.3 -2,-0.4 270,-0.2 -0.924 18.2-126.7-121.5 143.3 38.3 31.7 45.6 45 86 A A - 0 0 0 268,-3.0 233,-0.1 -2,-0.4 8,-0.1 -0.521 33.0-117.6 -67.0 150.7 39.1 35.3 46.6 46 87 A P S S+ 0 0 1 0, 0.0 335,-0.9 0, 0.0 -1,-0.1 0.684 94.9 8.7 -64.8 -18.0 36.6 37.9 45.3 47 88 A A S S- 0 0 0 231,-0.4 335,-0.1 333,-0.2 260,-0.1 -0.980 72.8-116.5-159.3 153.5 39.4 39.5 43.3 48 89 A P S S+ 0 0 0 0, 0.0 258,-2.3 0, 0.0 2,-0.3 0.031 94.2 64.7 -86.8 29.1 43.1 38.9 42.3 49 90 A L S > S- 0 0 17 229,-0.3 4,-1.8 256,-0.2 5,-0.2 -0.983 87.5-111.2-147.4 155.7 44.3 42.0 44.1 50 91 A S H > S+ 0 0 7 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.890 103.7 44.6 -54.2 -63.5 44.4 43.1 47.8 51 92 A S H > S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.911 116.5 40.9 -57.8 -54.9 41.9 45.9 48.1 52 93 A P H > S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.903 115.7 53.3 -63.2 -34.7 38.9 44.6 46.2 53 94 A S H X S+ 0 0 2 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.948 111.7 43.6 -60.9 -49.8 39.4 41.1 47.6 54 95 A R H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.887 113.9 51.2 -62.3 -41.7 39.4 42.4 51.2 55 96 A A H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 6,-0.4 0.939 111.2 48.9 -60.9 -47.5 36.4 44.7 50.5 56 97 A G H X>S+ 0 0 0 -4,-2.7 4,-2.3 -5,-0.2 5,-0.8 0.932 112.9 46.1 -55.9 -50.5 34.5 41.8 49.0 57 98 A L H <5S+ 0 0 2 -4,-2.5 284,-0.2 1,-0.2 -1,-0.2 0.883 114.6 45.9 -64.4 -42.7 35.2 39.5 51.9 58 99 A L H <5S+ 0 0 1 -4,-2.4 29,-1.4 1,-0.2 -1,-0.2 0.754 123.3 34.3 -74.9 -24.0 34.3 42.0 54.7 59 100 A T H <5S- 0 0 0 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.661 95.1-128.5-102.1 -20.8 31.1 43.2 53.1 60 101 A G T <5S+ 0 0 0 -4,-2.3 299,-2.0 1,-0.2 300,-0.7 0.654 74.9 114.9 74.7 18.4 29.7 40.1 51.3 61 102 A R S - 0 0 0 -2,-0.4 3,-2.5 1,-0.1 4,-0.4 -0.293 45.9-120.5 -47.2 122.0 31.3 42.0 44.8 63 104 A P G > >S+ 0 0 0 0, 0.0 5,-1.6 0, 0.0 3,-1.4 0.700 108.1 66.3 -51.2 -32.3 34.0 44.7 45.4 64 105 A F G > 5S+ 0 0 4 1,-0.3 3,-1.0 2,-0.2 5,-0.1 0.839 96.4 58.9 -56.2 -35.5 32.9 46.9 42.5 65 106 A R G < 5S+ 0 0 0 -3,-2.5 -1,-0.3 1,-0.2 -3,-0.1 0.775 104.7 50.7 -59.1 -30.8 29.6 47.5 44.4 66 107 A T G < 5S- 0 0 0 -3,-1.4 15,-1.9 -4,-0.4 -1,-0.2 0.430 121.3-103.4 -93.4 -2.4 31.7 49.0 47.3 67 108 A G T < 5S+ 0 0 29 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.382 88.4 111.3 97.0 -2.0 33.7 51.4 45.2 68 109 A I < + 0 0 0 -5,-1.6 -2,-0.2 1,-0.1 -1,-0.2 -0.918 25.0 156.8-112.6 114.4 37.0 49.4 45.1 69 110 A R S S- 0 0 22 -2,-0.6 314,-2.3 2,-0.2 2,-0.2 0.538 70.1 -39.2-112.9 -14.7 38.0 47.9 41.7 70 111 A S S S+ 0 0 0 1,-0.3 314,-0.1 312,-0.2 -21,-0.1 -0.735 105.8 11.5-170.2-133.5 41.7 47.5 42.1 71 112 A W - 0 0 47 -2,-0.2 -1,-0.3 312,-0.2 -2,-0.2 -0.214 59.8-134.1 -60.0 149.5 44.6 49.4 43.7 72 113 A I - 0 0 19 35,-0.1 2,-0.2 -4,-0.1 60,-0.2 -0.936 24.9-148.1-108.6 107.3 43.9 52.4 46.0 73 114 A P > - 0 0 26 0, 0.0 3,-1.3 0, 0.0 5,-0.3 -0.507 22.2-100.5 -79.4 143.7 46.2 55.3 45.0 74 115 A S T 3 S+ 0 0 77 1,-0.2 35,-0.1 -2,-0.2 3,-0.1 -0.308 102.0 13.1 -58.2 138.6 47.6 57.8 47.5 75 116 A G T 3 S+ 0 0 13 33,-0.5 1718,-0.4 1,-0.2 -1,-0.2 0.276 102.1 109.8 81.6 -8.8 45.8 61.2 47.5 76 117 A K S < S- 0 0 47 -3,-1.3 -1,-0.2 1714,-0.1 32,-0.2 -0.245 79.7-104.4 -95.7-176.8 42.8 60.2 45.5 77 118 A D S S+ 0 0 131 -3,-0.1 2,-0.6 -2,-0.1 -3,-0.1 0.092 74.4 122.3-100.1 24.2 39.1 59.6 46.3 78 119 A V + 0 0 17 -5,-0.3 2,-0.3 37,-0.0 -2,-0.1 -0.778 31.3 121.2 -91.6 121.4 39.1 55.8 46.3 79 120 A A - 0 0 13 -2,-0.6 28,-0.2 -12,-0.2 3,-0.1 -0.950 69.5 -62.7-159.8 169.7 37.9 54.1 49.5 80 121 A L S S- 0 0 8 26,-2.2 -13,-0.2 -2,-0.3 -14,-0.0 -0.389 73.6 -89.5 -55.1 138.0 35.3 51.7 50.8 81 122 A G > - 0 0 7 -15,-1.9 3,-1.7 1,-0.1 -1,-0.1 -0.247 32.0-125.0 -58.4 139.6 31.8 53.3 50.2 82 123 A R T 3 S+ 0 0 173 1,-0.3 -1,-0.1 376,-0.1 -2,-0.1 0.813 108.9 44.9 -61.2 -34.4 30.7 55.4 53.2 83 124 A N T 3 S+ 0 0 36 371,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.325 87.5 118.1 -90.2 5.7 27.4 53.5 53.7 84 125 A E < - 0 0 11 -3,-1.7 2,-0.4 -18,-0.1 -4,-0.0 -0.474 53.4-147.5 -73.2 144.9 29.0 50.0 53.4 85 126 A L - 0 0 54 -26,-0.1 2,-0.2 -2,-0.1 36,-0.1 -0.952 9.1-158.6-114.6 135.0 28.8 47.7 56.4 86 127 A T > - 0 0 1 -2,-0.4 4,-1.9 35,-0.2 -27,-0.2 -0.577 38.7 -99.4-101.4 170.4 31.4 45.2 57.3 87 128 A I H > S+ 0 0 0 -29,-1.4 4,-2.3 1,-0.2 5,-0.2 0.864 126.6 56.1 -51.9 -38.9 31.2 42.0 59.4 88 129 A A H > S+ 0 0 0 33,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.905 103.6 51.6 -61.9 -47.8 32.7 44.2 62.2 89 130 A N H > S+ 0 0 33 32,-0.7 4,-1.7 1,-0.2 -1,-0.2 0.916 114.1 44.5 -50.6 -49.9 29.9 46.8 61.9 90 131 A L H < S+ 0 0 22 -4,-1.9 4,-0.2 1,-0.2 -2,-0.2 0.847 113.7 48.5 -69.2 -36.2 27.3 44.1 62.2 91 132 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.0 2,-0.2 3,-0.8 0.835 106.4 56.3 -77.0 -31.9 29.0 42.3 65.1 92 133 A K H ><5S+ 0 0 88 -4,-2.4 3,-2.0 1,-0.2 -2,-0.2 0.945 105.0 54.0 -58.3 -47.6 29.4 45.5 67.1 93 134 A A T 3<5S+ 0 0 81 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.580 104.7 54.6 -63.9 -13.0 25.7 45.9 66.8 94 135 A Q T < 5S- 0 0 76 -3,-0.8 -1,-0.3 -4,-0.2 -2,-0.2 0.430 129.4 -97.0 -95.8 -4.4 25.3 42.4 68.3 95 136 A G T < 5S+ 0 0 36 -3,-2.0 2,-0.3 -4,-0.3 -3,-0.2 0.750 70.5 155.2 95.3 30.3 27.4 43.5 71.3 96 137 A Y < - 0 0 3 -5,-2.0 2,-0.9 -8,-0.2 95,-0.2 -0.665 49.1-124.6 -92.1 141.9 30.9 42.1 70.2 97 138 A D E -e 191 0A 39 93,-2.8 95,-2.4 -2,-0.3 2,-0.3 -0.772 41.1-160.9 -74.5 107.1 34.3 43.3 71.3 98 139 A T E +e 192 0A 2 -2,-0.9 27,-1.1 93,-0.2 26,-0.5 -0.752 17.8 166.7-102.5 139.7 35.8 44.1 67.9 99 140 A A E -ef 193 125A 0 93,-2.6 95,-2.2 -2,-0.3 2,-0.4 -0.997 15.8-165.6-147.6 141.5 39.5 44.4 67.0 100 141 A M E -ef 194 126A 0 25,-2.2 27,-2.2 -2,-0.3 2,-0.4 -0.990 5.5-174.6-124.6 144.0 41.8 44.5 63.9 101 142 A M E +ef 195 127A 0 93,-2.3 95,-2.4 -2,-0.4 2,-0.3 -0.992 51.1 1.3-135.3 125.9 45.6 44.1 63.7 102 143 A G E S+ef 196 128A 0 25,-3.6 27,-2.1 -2,-0.4 95,-0.2 -0.776 101.8 24.7 112.1-145.5 47.7 44.5 60.5 103 144 A K E + f 0 129A 0 93,-2.4 27,-0.2 -2,-0.3 -2,-0.1 -0.376 46.9 165.7 -66.8 124.4 47.0 45.4 56.9 104 145 A L + 0 0 0 25,-3.0 26,-0.2 27,-0.3 -1,-0.2 0.843 4.0 167.5 -96.8 -67.5 43.8 47.4 56.3 105 146 A H + 0 0 26 24,-0.6 -51,-0.1 1,-0.1 26,-0.1 0.830 39.4 111.7 56.8 40.7 44.2 48.7 52.7 106 147 A L S S+ 0 0 0 24,-0.1 -26,-2.2 10,-0.1 2,-0.3 0.320 74.6 35.3-122.8 3.9 40.6 49.9 52.3 107 148 A N S S- 0 0 2 23,-0.4 -28,-0.2 -28,-0.2 3,-0.1 -0.845 89.9 -98.5-141.5-176.9 41.2 53.7 52.1 108 149 A A S S- 0 0 16 1,-0.3 -33,-0.5 -2,-0.3 2,-0.2 0.340 92.5 -37.6 -89.1 4.9 43.8 56.1 50.8 109 150 A G > - 0 0 10 21,-0.1 3,-1.4 3,-0.1 -1,-0.3 -0.574 55.1 -97.7 145.0 151.7 45.6 56.5 54.2 110 151 A G T 3 S+ 0 0 24 1,-0.3 -1,-0.1 -2,-0.2 5,-0.0 0.616 115.2 61.7 -69.2 -15.6 45.0 56.8 57.9 111 152 A D T 3 S+ 0 0 130 -3,-0.1 2,-0.8 2,-0.0 -1,-0.3 0.324 75.8 110.4 -93.0 6.5 45.2 60.6 57.9 112 153 A R X + 0 0 14 -3,-1.4 3,-0.7 1,-0.2 -3,-0.1 -0.744 39.5 178.5 -87.7 108.9 42.1 60.9 55.6 113 154 A T T 3 S+ 0 0 147 -2,-0.8 -1,-0.2 1,-0.2 4,-0.1 0.594 80.4 63.0 -82.6 -14.0 39.2 62.4 57.5 114 155 A D T 3 S+ 0 0 96 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.217 101.2 62.4 -91.6 11.7 37.0 62.3 54.4 115 156 A Q S < S- 0 0 15 -3,-0.7 5,-0.1 -6,-0.1 -8,-0.1 -0.969 93.9 -92.5-137.8 149.9 37.2 58.5 54.2 116 157 A P - 0 0 20 0, 0.0 2,-0.2 0, 0.0 -36,-0.2 -0.363 42.3-165.7 -60.5 138.5 36.2 55.6 56.5 117 158 A Q > - 0 0 34 -4,-0.1 4,-2.0 -2,-0.1 3,-0.2 -0.631 41.7 -79.5-115.6 179.2 38.8 54.4 58.9 118 159 A A T 4>S+ 0 0 7 1,-0.2 5,-2.3 -2,-0.2 7,-0.1 0.845 130.2 48.1 -49.2 -44.2 39.1 51.2 61.0 119 160 A Q T >45S+ 0 0 129 1,-0.2 3,-1.8 3,-0.2 -1,-0.2 0.915 109.6 52.2 -65.3 -42.9 36.7 52.5 63.7 120 161 A D T 345S+ 0 0 105 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.2 0.843 105.2 57.4 -57.1 -34.9 34.1 53.6 61.1 121 162 A M T 3<5S- 0 0 4 -4,-2.0 -32,-0.7 2,-0.1 -1,-0.3 0.393 130.8 -95.6 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1851 471 D K T <4 S+ 0 0 148 -3,-2.0 -2,-0.2 1,-0.1 -3,-0.0 0.535 92.8 42.7-123.6 -14.6 16.4 68.8 37.6 1852 472 D K X + 0 0 96 -4,-0.9 4,-2.8 1,-0.1 3,-0.3 -0.575 63.4 174.2-137.3 72.5 18.7 68.7 40.7 1853 473 D P H > S+ 0 0 96 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.762 76.9 46.8 -60.2 -38.9 17.0 71.0 43.3 1854 474 D D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.894 116.7 44.2 -69.1 -43.7 19.3 70.3 46.3 1855 475 D I H > S+ 0 0 32 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.890 112.8 52.8 -65.1 -42.4 22.5 70.7 44.3 1856 476 D E H X S+ 0 0 40 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.900 111.1 46.3 -59.8 -46.7 21.1 73.8 42.5 1857 477 D K H X S+ 0 0 170 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.897 114.9 47.1 -61.0 -46.4 20.4 75.5 45.9 1858 478 D Q H X S+ 0 0 106 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.890 114.5 45.1 -65.5 -43.9 23.8 74.5 47.3 1859 479 D M H X S+ 0 0 4 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.901 113.2 49.5 -70.5 -42.1 25.8 75.7 44.3 1860 480 D Y H X S+ 0 0 49 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.886 111.1 50.1 -64.3 -41.4 24.0 79.0 43.9 1861 481 D G H X S+ 0 0 39 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.898 110.6 50.1 -60.3 -42.5 24.4 79.7 47.6 1862 482 D K H X S+ 0 0 85 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.909 112.1 48.2 -63.6 -43.2 28.1 79.0 47.2 1863 483 D F H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.923 110.3 50.5 -58.4 -51.0 28.4 81.3 44.2 1864 484 D L H X S+ 0 0 62 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.921 110.7 49.7 -59.6 -43.8 26.5 84.1 45.9 1865 485 D K H X S+ 0 0 169 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.906 113.5 46.3 -57.6 -45.4 28.8 83.9 49.0 1866 486 D Y H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.899 110.7 52.5 -66.6 -42.4 31.9 84.0 46.7 1867 487 D K H X S+ 0 0 51 -4,-2.9 4,-3.0 2,-0.2 5,-0.2 0.919 109.5 48.1 -61.0 -46.4 30.6 86.9 44.6 1868 488 D T H X S+ 0 0 82 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.906 112.7 49.5 -63.2 -38.3 29.9 89.1 47.7 1869 489 D D H < S+ 0 0 71 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.902 114.7 44.4 -61.9 -45.5 33.4 88.3 49.0 1870 490 D I H >< S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.923 114.3 47.7 -66.5 -46.6 35.0 89.1 45.7 1871 491 D D H 3< S+ 0 0 33 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.822 113.2 49.8 -66.0 -32.9 33.0 92.3 45.1 1872 492 D N T 3< S+ 0 0 96 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 -0.005 81.0 162.3 -92.2 25.3 33.8 93.5 48.7 1873 493 D D <> - 0 0 2 -3,-1.3 4,-2.0 1,-0.1 5,-0.1 -0.249 35.1-146.8 -56.1 126.3 37.5 92.8 48.3 1874 494 D S H > S+ 0 0 63 2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.805 96.4 51.8 -67.5 -34.0 39.4 94.7 51.0 1875 495 D L H > S+ 0 0 10 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.914 109.9 49.0 -70.2 -42.9 42.5 95.4 48.9 1876 496 D M H 4>S+ 0 0 8 1,-0.2 5,-2.3 2,-0.2 3,-0.4 0.906 112.7 49.5 -57.6 -44.3 40.3 96.9 46.1 1877 497 D K H ><5S+ 0 0 134 -4,-2.0 3,-1.8 1,-0.2 -2,-0.2 0.881 103.8 59.5 -61.6 -42.1 38.6 99.0 48.8 1878 498 D A H 3<5S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.749 104.1 50.3 -61.5 -28.9 41.9 100.2 50.2 1879 499 D R T 3<5S- 0 0 13 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.342 122.6-106.1 -90.8 7.7 42.9 101.7 46.9 1880 500 D G T < 5S+ 0 0 68 -3,-1.8 -3,-0.2 1,-0.3 2,-0.2 0.720 78.6 131.1 79.2 22.4 39.5 103.6 46.7 1881 501 D D < - 0 0 71 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.555 35.4-173.6-106.9 167.7 38.1 101.3 44.1 1882 502 D K - 0 0 141 -2,-0.2 2,-0.2 -3,-0.1 -10,-0.1 -0.959 43.2 -77.2-150.0 161.0 34.9 99.3 43.5 1883 503 D P - 0 0 47 0, 0.0 2,-0.5 0, 0.0 -397,-0.1 -0.452 48.1-165.7 -63.2 131.8 33.7 96.7 41.0 1884 504 D E - 0 0 114 -2,-0.2 -394,-0.1 -396,-0.0 3,-0.1 -0.962 19.3-123.9-125.6 117.5 32.7 98.5 37.8 1885 505 D A - 0 0 69 -2,-0.5 2,-0.5 1,-0.1 -81,-0.0 -0.197 35.1-105.6 -52.5 140.3 30.6 96.7 35.1 1886 506 D V + 0 0 5 1,-0.2 -1,-0.1 -396,-0.1 0, 0.0 -0.642 46.8 165.7 -75.7 120.4 32.3 96.8 31.7 1887 507 D T + 0 0 105 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.2 0.372 49.0 85.9-117.0 -3.4 30.5 99.3 29.5 1888 508 D W 0 0 35 -396,-0.1 -396,-0.1 -394,-0.0 -2,-0.0 -0.612 360.0 360.0 -99.9 160.2 33.1 99.6 26.7 1889 509 D G 0 0 88 -2,-0.2 -84,-0.0 -84,-0.1 -82,-0.0 -0.750 360.0 360.0-109.6 360.0 33.5 97.5 23.6