==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 18-AUG-09 3IQ1 . COMPND 2 MOLECULE: DPS FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO CHOLERAE O1 BIOVAR EL TOR; . AUTHOR B.NOCEK,S.PETERSON,M.GU,Z.OTWINOWSKI,W.ANDERSON,A.JOACHIMIAK . 631 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30885.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0.6 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 . 12 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 438 69.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 0 0 4 4 4 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 4 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 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 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 1 A X 0 0 229 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -36.3 94.4 41.0 246.5 2 2 A A + 0 0 88 7,-0.0 8,-0.5 5,-0.0 2,-0.3 0.384 360.0 51.4 -70.4 -3.2 94.2 42.8 249.8 3 3 A T B S-A 9 0A 64 6,-0.2 6,-0.2 1,-0.1 0, 0.0 -0.878 84.6-100.4-132.8 169.6 90.7 41.3 250.7 4 4 A N > - 0 0 19 4,-3.0 3,-1.9 -2,-0.3 -1,-0.1 -0.041 57.8 -75.7 -80.5-173.0 88.9 38.0 250.9 5 5 A L T 3 S+ 0 0 157 1,-0.3 69,-0.1 2,-0.1 -1,-0.1 0.855 132.7 46.4 -57.2 -39.8 86.6 36.6 248.2 6 6 A I T 3 S- 0 0 73 67,-0.3 -1,-0.3 2,-0.1 68,-0.0 0.420 121.9-101.7 -87.8 3.2 83.7 38.9 249.2 7 7 A G S < S+ 0 0 45 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.623 79.9 124.1 92.1 15.6 85.9 42.1 249.4 8 8 A L S S- 0 0 42 1,-0.1 -4,-3.0 122,-0.0 -1,-0.3 -0.681 72.3 -83.0-103.1 163.1 86.4 42.4 253.1 9 9 A D B > -A 3 0A 62 -2,-0.2 4,-2.0 119,-0.2 -6,-0.2 -0.381 35.4-143.0 -62.7 130.6 89.6 42.5 255.2 10 10 A T H > S+ 0 0 64 -8,-0.5 4,-2.6 2,-0.2 5,-0.2 0.937 96.5 46.3 -64.5 -49.3 90.9 39.0 255.8 11 11 A T H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 115.7 46.5 -60.8 -43.8 92.2 39.5 259.3 12 12 A Q H > S+ 0 0 81 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.873 112.6 51.0 -65.0 -40.6 89.0 41.3 260.4 13 13 A S H X S+ 0 0 2 -4,-2.0 4,-2.9 2,-0.2 -1,-0.2 0.880 108.4 50.5 -66.5 -38.4 86.9 38.6 258.8 14 14 A Q H X S+ 0 0 84 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.889 110.3 51.0 -65.4 -36.2 88.7 35.8 260.5 15 15 A K H X S+ 0 0 136 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.943 113.3 44.7 -66.5 -47.1 88.2 37.6 263.9 16 16 A L H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.911 111.1 54.2 -61.2 -41.0 84.5 38.0 263.2 17 17 A A H X S+ 0 0 2 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.894 106.4 52.1 -63.3 -38.4 84.3 34.4 262.0 18 18 A N H X S+ 0 0 100 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.909 111.4 46.2 -60.4 -45.1 85.8 33.2 265.2 19 19 A A H X S+ 0 0 24 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.867 111.7 51.9 -66.0 -39.7 83.3 35.1 267.3 20 20 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.867 107.0 53.5 -66.4 -35.5 80.5 33.8 265.1 21 21 A N H X S+ 0 0 20 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.912 107.7 49.8 -65.1 -42.6 81.7 30.2 265.6 22 22 A N H X S+ 0 0 58 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.903 111.2 50.4 -61.8 -37.6 81.6 30.7 269.4 23 23 A L H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.915 107.8 52.8 -60.4 -48.4 78.0 32.1 268.9 24 24 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.886 105.7 54.4 -53.5 -40.8 77.2 29.0 266.8 25 25 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.898 109.5 47.9 -63.0 -42.6 78.4 26.7 269.6 26 26 A N H X S+ 0 0 3 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.933 111.0 50.1 -64.8 -45.7 76.1 28.4 272.0 27 27 A Y H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.868 109.8 51.7 -56.6 -41.1 73.1 28.2 269.6 28 28 A Q H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.960 112.2 43.5 -67.9 -44.1 73.8 24.5 269.2 29 29 A V H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 65,-0.2 0.923 116.0 50.4 -64.9 -40.5 73.9 23.6 272.9 30 30 A F H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.893 108.0 51.3 -63.8 -43.0 70.8 25.9 273.4 31 31 A Y H X S+ 0 0 11 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.917 110.4 49.8 -57.3 -47.1 68.9 24.2 270.6 32 32 A X H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.926 110.3 50.0 -60.9 -42.9 69.6 20.8 272.2 33 33 A N H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.919 110.2 50.5 -60.6 -39.4 68.5 22.0 275.6 34 34 A T H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.877 106.0 55.0 -73.6 -33.9 65.3 23.4 274.0 35 35 A R H X S+ 0 0 1 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.945 108.8 49.8 -58.0 -44.9 64.6 20.0 272.3 36 36 A G H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.882 106.7 53.4 -60.6 -41.8 64.9 18.5 275.7 37 37 A Y H X S+ 0 0 5 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.916 110.7 48.8 -57.7 -43.7 62.4 21.0 277.1 38 38 A H H < S+ 0 0 5 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.906 116.5 41.2 -59.7 -49.7 60.0 20.0 274.3 39 39 A W H < S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 119.8 41.2 -66.9 -41.5 60.3 16.3 275.0 40 40 A N H < S+ 0 0 12 -4,-2.8 -1,-0.2 57,-0.2 -2,-0.2 0.456 76.5 124.0 -98.3 -4.4 60.4 16.3 278.8 41 41 A I < - 0 0 5 -4,-1.2 2,-0.3 -5,-0.2 58,-0.2 -0.279 35.4-179.3 -56.9 139.4 57.7 18.8 279.8 42 42 A Q + 0 0 118 56,-2.0 58,-0.4 3,-0.0 3,-0.3 -0.917 32.8 48.6-134.7 163.0 55.0 17.4 282.1 43 43 A G S > S- 0 0 51 -2,-0.3 3,-2.7 1,-0.2 56,-0.0 -0.368 103.1 -42.1 98.9-177.9 51.9 18.9 283.7 44 44 A K T 3 S+ 0 0 207 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.625 130.1 63.4 -69.1 -13.2 49.0 21.0 282.6 45 45 A E T 3> S+ 0 0 76 -3,-0.3 4,-2.9 1,-0.2 5,-0.5 0.414 73.8 109.5 -82.1 3.3 51.3 23.1 280.5 46 46 A F H <> S+ 0 0 66 -3,-2.7 4,-2.6 1,-0.2 5,-0.3 0.860 78.3 37.3 -47.2 -58.6 52.1 20.1 278.4 47 47 A F H > S+ 0 0 168 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.930 119.9 46.3 -67.5 -43.2 50.3 20.9 275.1 48 48 A E H > S+ 0 0 127 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.930 120.2 37.5 -66.7 -46.0 51.0 24.6 275.2 49 49 A L H X S+ 0 0 2 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.841 110.1 59.1 -77.4 -32.3 54.7 24.3 276.0 50 50 A H H X S+ 0 0 41 -4,-2.6 4,-1.5 -5,-0.5 -2,-0.2 0.960 115.5 39.8 -57.9 -41.7 55.4 21.2 273.9 51 51 A A H X S+ 0 0 53 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.920 115.6 49.5 -71.5 -44.9 54.2 23.4 271.0 52 52 A K H X S+ 0 0 73 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.910 109.9 50.9 -64.9 -40.7 55.9 26.6 272.2 53 53 A F H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.886 109.5 51.7 -64.4 -37.9 59.3 24.9 272.7 54 54 A E H X S+ 0 0 86 -4,-1.5 4,-2.4 -5,-0.3 -1,-0.2 0.908 108.7 50.4 -64.0 -44.8 59.0 23.4 269.2 55 55 A E H X S+ 0 0 94 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.939 112.7 47.8 -55.2 -43.9 58.3 26.9 267.7 56 56 A I H X S+ 0 0 5 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.943 114.0 44.3 -68.9 -46.7 61.4 28.2 269.6 57 57 A Y H X S+ 0 0 6 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.823 109.3 57.8 -71.3 -28.2 63.8 25.5 268.5 58 58 A T H X S+ 0 0 65 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.907 108.8 45.4 -61.6 -46.7 62.5 25.6 265.0 59 59 A D H X S+ 0 0 72 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.891 111.0 53.8 -64.2 -41.8 63.5 29.3 264.8 60 60 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.896 104.9 55.0 -58.4 -39.8 66.9 28.5 266.4 61 61 A Q H X S+ 0 0 24 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.896 105.6 51.5 -62.4 -40.5 67.5 25.9 263.8 62 62 A L H X S+ 0 0 94 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.902 110.9 48.4 -60.0 -42.9 67.0 28.5 261.0 63 63 A K H X S+ 0 0 17 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.851 107.3 55.7 -66.9 -40.0 69.5 30.8 262.8 64 64 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.923 108.1 48.5 -55.5 -46.5 72.0 28.0 263.1 65 65 A D H X S+ 0 0 24 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.928 113.5 46.7 -60.9 -48.0 71.9 27.4 259.3 66 66 A E H X S+ 0 0 89 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.867 111.3 52.1 -64.1 -37.8 72.3 31.1 258.6 67 67 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.952 109.2 48.0 -64.0 -47.7 75.2 31.4 261.1 68 68 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.902 112.9 50.0 -59.5 -39.4 77.1 28.6 259.6 69 69 A E H X S+ 0 0 68 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.855 107.4 52.9 -71.5 -32.1 76.6 30.1 256.1 70 70 A R H X S+ 0 0 40 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.906 108.5 51.0 -67.7 -39.5 77.8 33.5 257.3 71 71 A I H <>S+ 0 0 0 -4,-2.5 5,-2.0 1,-0.2 3,-0.2 0.916 112.0 46.5 -59.7 -47.2 81.0 31.8 258.6 72 72 A L H ><5S+ 0 0 56 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.862 107.9 57.1 -59.9 -38.1 81.4 30.1 255.2 73 73 A T H 3<5S+ 0 0 60 -4,-2.0 -67,-0.3 1,-0.3 -1,-0.2 0.802 102.6 54.8 -65.8 -30.8 80.7 33.4 253.5 74 74 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -3,-0.2 -2,-0.2 0.219 123.7-107.4 -85.0 11.3 83.6 35.0 255.4 75 75 A S T < 5S+ 0 0 62 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.868 81.4 122.1 63.7 37.8 85.9 32.2 254.1 76 76 A A < - 0 0 15 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.754 66.9-103.6-123.9 172.0 86.0 30.4 257.4 77 77 A R - 0 0 107 -2,-0.2 2,-0.3 -3,-0.1 -56,-0.0 -0.875 28.9-139.3 -99.6 118.5 85.2 27.0 258.7 78 78 A P - 0 0 0 0, 0.0 -10,-0.1 0, 0.0 -60,-0.1 -0.634 27.9-109.9 -73.8 135.1 82.0 26.6 260.7 79 79 A X + 0 0 27 -2,-0.3 3,-0.0 1,-0.1 -11,-0.0 -0.391 42.0 174.9 -59.1 141.7 82.3 24.3 263.7 80 80 A H + 0 0 1 -2,-0.0 2,-0.3 -3,-0.0 434,-0.2 -0.068 41.4 81.4-152.6 36.8 80.3 21.2 262.9 81 81 A S S > S- 0 0 13 1,-0.1 4,-2.5 490,-0.1 5,-0.2 -0.993 70.4-129.7-142.1 144.4 80.8 18.6 265.6 82 82 A F H > S+ 0 0 5 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.891 111.7 55.4 -51.7 -42.3 79.1 18.1 269.0 83 83 A S H > S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.913 108.3 47.6 -66.2 -38.8 82.6 17.8 270.6 84 84 A G H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.933 112.2 49.5 -62.6 -46.0 83.7 21.1 269.1 85 85 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.892 108.0 52.6 -59.6 -42.4 80.5 22.8 270.3 86 86 A L H < S+ 0 0 58 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.868 109.5 50.3 -66.0 -33.8 80.8 21.5 273.8 87 87 A K H < S+ 0 0 174 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.852 119.3 36.0 -66.7 -37.4 84.4 22.8 274.1 88 88 A A H < S+ 0 0 33 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.719 93.3 101.5 -90.6 -26.9 83.4 26.3 272.9 89 89 A A < - 0 0 24 -4,-2.4 -66,-0.1 -64,-0.2 -63,-0.0 -0.299 43.5-170.2 -71.1 145.4 79.9 26.9 274.4 90 90 A Q S S+ 0 0 133 -68,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.713 70.9 86.9 -91.6 -38.4 79.2 29.0 277.4 91 91 A I S S- 0 0 16 1,-0.1 2,-0.2 19,-0.1 -62,-0.1 -0.486 81.9-132.7 -63.0 130.4 75.6 27.8 277.7 92 92 A K - 0 0 176 -2,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.590 21.9 -94.7 -85.2 153.8 75.7 24.6 279.7 93 93 A E - 0 0 65 -2,-0.2 2,-0.6 -7,-0.1 -1,-0.1 -0.453 40.7-159.9 -62.7 130.9 73.9 21.4 278.9 94 94 A H + 0 0 61 -65,-0.2 2,-0.3 464,-0.2 3,-0.2 -0.967 15.8 176.0-121.5 109.9 70.5 21.4 280.7 95 95 A T + 0 0 52 -2,-0.6 3,-0.1 1,-0.2 464,-0.0 -0.836 52.1 20.3-114.6 157.9 69.0 18.0 281.1 96 96 A D + 0 0 81 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.791 66.1 155.9 57.1 39.0 65.9 16.7 282.9 97 97 A S + 0 0 5 -3,-0.2 -1,-0.2 1,-0.1 -57,-0.2 -0.842 2.7 158.4 -90.2 111.9 64.0 19.9 283.0 98 98 A I + 0 0 76 -2,-0.8 -56,-2.0 -3,-0.1 2,-0.4 0.348 44.8 85.0-115.9 -3.3 60.4 18.7 283.2 99 99 A D S > S- 0 0 87 -58,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.888 75.1-131.3-110.3 134.2 58.7 21.8 284.7 100 100 A G H > S+ 0 0 2 -2,-0.4 4,-3.0 -58,-0.4 5,-0.2 0.912 106.2 47.8 -48.2 -50.7 57.5 24.8 282.7 101 101 A R H > S+ 0 0 123 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.917 110.9 50.6 -63.4 -42.2 59.1 27.4 284.8 102 102 A S H > S+ 0 0 42 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.937 115.2 42.7 -59.3 -45.1 62.5 25.7 284.9 103 103 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.911 115.0 49.3 -70.7 -43.7 62.6 25.3 281.1 104 104 A X H X S+ 0 0 6 -4,-3.0 4,-2.1 -5,-0.3 -2,-0.2 0.902 111.2 49.2 -63.7 -38.9 61.3 28.8 280.5 105 105 A Q H X S+ 0 0 71 -4,-2.8 4,-2.7 -5,-0.2 -1,-0.2 0.884 107.5 56.5 -64.2 -39.7 63.9 30.3 282.8 106 106 A G H X S+ 0 0 14 -4,-2.0 4,-2.5 -5,-0.3 -2,-0.2 0.914 107.2 48.6 -56.2 -46.6 66.5 28.3 281.0 107 107 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.3 0.940 110.1 51.4 -60.3 -45.6 65.4 29.9 277.8 108 108 A V H X S+ 0 0 16 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.927 112.4 45.8 -57.5 -45.4 65.6 33.4 279.3 109 109 A D H X S+ 0 0 87 -4,-2.7 4,-1.4 2,-0.2 -1,-0.2 0.900 113.5 48.8 -67.8 -38.6 69.1 32.8 280.6 110 110 A G H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 3,-0.3 0.919 109.9 50.3 -67.7 -44.6 70.3 31.3 277.3 111 111 A F H X S+ 0 0 3 -4,-2.9 4,-3.2 1,-0.2 5,-0.2 0.851 102.4 63.2 -63.2 -30.5 68.9 34.2 275.3 112 112 A S H X S+ 0 0 64 -4,-1.6 4,-2.2 -5,-0.3 -1,-0.2 0.930 107.3 43.6 -54.7 -47.1 70.6 36.6 277.7 113 113 A I H X S+ 0 0 31 -4,-1.4 4,-2.5 -3,-0.3 5,-0.3 0.917 112.9 49.9 -65.9 -48.6 73.9 35.1 276.5 114 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.933 112.5 48.3 -56.4 -49.1 73.0 35.0 272.8 115 115 A L H X S+ 0 0 10 -4,-3.2 4,-2.4 1,-0.2 -2,-0.2 0.936 111.9 49.0 -58.4 -48.1 71.9 38.7 273.0 116 116 A H H X S+ 0 0 119 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.917 115.4 43.9 -54.7 -48.2 75.1 39.7 274.8 117 117 A Q H X S+ 0 0 37 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.879 112.8 51.8 -67.2 -40.7 77.3 37.9 272.2 118 118 A Q H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.3 -1,-0.2 0.882 107.9 51.4 -64.5 -40.4 75.3 39.2 269.3 119 119 A R H X S+ 0 0 109 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.887 109.8 50.2 -64.2 -41.2 75.7 42.8 270.5 120 120 A D H X S+ 0 0 90 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.902 112.3 46.9 -61.7 -42.5 79.5 42.4 270.8 121 121 A I H X S+ 0 0 6 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 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52.7 -66.2 -40.7 30.1 31.4 229.5 222 62 B L H X S+ 0 0 101 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.908 111.8 47.0 -56.8 -44.2 33.9 31.6 229.2 223 63 B K H X S+ 0 0 18 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.878 108.1 54.3 -68.9 -38.8 33.5 31.3 225.4 224 64 B I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.924 109.1 49.4 -59.1 -43.6 30.7 34.0 225.2 225 65 B D H X S+ 0 0 29 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.942 113.8 45.1 -60.1 -49.2 33.1 36.4 227.1 226 66 B E H X S+ 0 0 95 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.829 112.4 52.2 -67.9 -35.3 36.0 35.7 224.7 227 67 B L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.941 108.7 47.7 -69.6 -46.1 33.7 35.9 221.6 228 68 B A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.920 112.6 51.6 -59.5 -40.2 32.3 39.3 222.5 229 69 B E H X S+ 0 0 81 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.850 107.0 52.8 -64.9 -38.2 35.9 40.5 223.2 230 70 B R H X S+ 0 0 40 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.911 108.5 50.5 -63.3 -42.1 37.0 39.3 219.8 231 71 B I H <>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 3,-0.3 0.940 112.3 46.3 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20.4 42.1 224.1 242 82 B F H > S+ 0 0 5 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.881 112.3 54.4 -54.1 -44.5 18.1 39.1 224.4 243 83 B S H > S+ 0 0 55 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.937 108.8 47.8 -59.7 -45.2 15.9 40.6 221.6 244 84 B G H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.927 112.3 48.6 -60.7 -46.7 18.9 40.8 219.3 245 85 B Y H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.903 109.1 52.4 -63.0 -41.7 20.0 37.3 220.1 246 86 B L H < S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.840 109.7 50.3 -64.3 -34.1 16.5 35.9 219.5 247 87 B K H < S+ 0 0 197 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.849 120.0 35.0 -65.9 -38.2 16.4 37.6 216.1 248 88 B A H < S+ 0 0 33 -4,-1.6 -2,-0.2 -5,-0.1 -3,-0.1 0.698 92.8 102.1 -93.2 -25.3 19.8 36.2 215.0 249 89 B A < - 0 0 24 -4,-2.3 -66,-0.1 -64,-0.2 -67,-0.0 -0.352 43.4-169.5 -74.0 145.0 20.0 32.7 216.5 250 90 B Q S S+ 0 0 131 -68,-0.2 -1,-0.1 2,-0.1 2,-0.1 0.739 71.7 87.0 -89.2 -39.4 19.4 29.4 214.7 251 91 B I S S- 0 0 15 1,-0.1 2,-0.2 19,-0.1 -62,-0.1 -0.455 80.9-133.6 -62.6 130.7 19.4 27.4 217.9 252 92 B K - 0 0 183 -2,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.593 21.5 -96.2 -85.8 153.4 15.8 27.4 219.3 253 93 B E - 0 0 65 -2,-0.2 2,-0.5 -7,-0.1 -1,-0.1 -0.443 39.7-161.1 -62.3 129.9 14.7 28.1 222.8 254 94 B H + 0 0 61 -65,-0.2 2,-0.3 144,-0.2 3,-0.2 -0.975 15.5 176.4-122.5 109.8 14.3 24.7 224.5 255 95 B T + 0 0 53 -2,-0.5 3,-0.1 1,-0.2 144,-0.1 -0.824 52.1 22.5-118.1 156.3 12.1 24.8 227.6 256 96 B D + 0 0 83 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.822 66.5 156.8 58.3 37.8 10.8 22.2 230.0 257 97 B S + 0 0 6 -3,-0.2 -1,-0.2 1,-0.1 -57,-0.2 -0.853 3.3 159.5 -89.2 110.5 13.4 19.6 229.3 258 98 B I + 0 0 69 -2,-0.8 -56,-1.9 -3,-0.1 2,-0.4 0.325 44.7 78.9-116.2 -3.6 13.3 17.5 232.5 259 99 B D S > S- 0 0 80 -58,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.915 76.2-127.0-116.2 143.4 14.9 14.3 231.4 260 100 B G H > S+ 0 0 1 -2,-0.4 4,-3.0 -58,-0.4 5,-0.2 0.870 105.9 49.8 -49.3 -50.4 18.5 13.5 230.9 261 101 B R H > S+ 0 0 129 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.928 110.8 48.4 -64.0 -44.6 18.3 12.1 227.3 262 102 B S H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.914 116.4 44.2 -60.1 -40.6 16.3 15.1 226.0 263 103 B S H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.948 114.3 48.2 -69.5 -46.3 18.7 17.6 227.5 264 104 B X H X S+ 0 0 5 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.889 112.4 49.0 -61.5 -43.1 21.8 15.7 226.5 265 105 B Q H X S+ 0 0 73 -4,-2.9 4,-2.7 -5,-0.2 -1,-0.2 0.889 107.5 56.6 -62.8 -37.9 20.5 15.3 222.9 266 106 B G H X S+ 0 0 14 -4,-1.9 4,-2.5 -5,-0.3 -2,-0.2 0.923 107.6 48.7 -55.9 -43.2 19.7 19.1 222.9 267 107 B L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.933 110.1 50.2 -64.7 -48.9 23.3 19.7 223.8 268 108 B V H X S+ 0 0 8 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.932 113.6 45.4 -55.0 -48.5 24.5 17.4 220.9 269 109 B D H X S+ 0 0 90 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.907 114.0 48.4 -66.1 -39.0 22.3 19.2 218.4 270 110 B G H X S+ 0 0 4 -4,-2.5 4,-2.3 1,-0.2 3,-0.4 0.921 111.2 50.0 -65.9 -47.2 23.3 22.7 219.6 271 111 B F H X S+ 0 0 3 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.854 102.9 61.4 -61.8 -32.0 27.0 21.9 219.6 272 112 B S H X S+ 0 0 55 -4,-1.9 4,-1.9 -5,-0.3 -1,-0.2 0.919 106.7 45.2 -63.1 -37.3 26.6 20.5 216.1 273 113 B I H X S+ 0 0 38 -4,-1.2 4,-2.6 -3,-0.4 5,-0.3 0.922 112.6 50.8 -65.2 -48.5 25.4 24.1 215.0 274 114 B L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.934 111.9 47.4 -56.6 -48.2 28.3 25.8 216.9 275 115 B L H X S+ 0 0 9 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.935 112.0 49.3 -61.0 -44.6 30.9 23.5 215.3 276 116 B H H X S+ 0 0 119 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.926 115.0 44.0 -60.0 -46.7 29.5 24.0 211.8 277 117 B Q H X S+ 0 0 34 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.903 112.2 52.7 -69.0 -38.2 29.4 27.8 212.2 278 118 B Q H X S+ 0 0 0 -4,-2.8 4,-2.6 -5,-0.3 -2,-0.2 0.897 107.7 51.4 -65.8 -37.8 32.9 27.9 213.8 279 119 B R H X S+ 0 0 107 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.893 110.0 50.0 -65.0 -38.0 34.3 25.9 210.9 280 120 B D H X S+ 0 0 89 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.939 112.3 46.4 -65.4 -43.6 32.8 28.4 208.4 281 121 B I H X S+ 0 0 6 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.893 110.4 53.9 -63.4 -44.0 34.3 31.3 210.3 282 122 B L H X S+ 0 0 59 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.927 109.7 47.7 -54.3 -46.2 37.6 29.5 210.5 283 123 B E H X S+ 0 0 127 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.931 113.2 47.0 -62.7 -45.5 37.6 29.1 206.7 284 124 B L H X S+ 0 0 35 -4,-2.3 4,-0.9 1,-0.2 -2,-0.2 0.923 111.6 51.0 -62.7 -45.1 36.7 32.7 206.1 285 125 B A H >X>S+ 0 0 0 -4,-2.9 5,-2.4 1,-0.2 4,-0.8 0.894 108.1 53.2 -61.7 -38.4 39.3 34.0 208.5 286 126 B G H ><5S+ 0 0 51 -4,-2.1 3,-0.6 -5,-0.2 -1,-0.2 0.874 99.8 62.5 -63.1 -35.9 42.0 31.9 206.8 287 127 B E H 3<5S+ 0 0 131 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.776 116.4 29.6 -62.3 -29.7 41.1 33.4 203.4 288 128 B T H <<5S- 0 0 57 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.366 112.8-108.5-114.3 5.7 42.1 36.8 204.6 289 129 B G T <<5 + 0 0 53 -4,-0.8 2,-1.8 -3,-0.6 -3,-0.2 0.779 58.1 157.0 74.5 27.1 44.8 36.0 207.2 290 130 B D >< + 0 0 4 -5,-2.4 4,-2.6 1,-0.2 -1,-0.2 -0.583 10.1 169.5 -81.4 83.3 42.8 36.9 210.3 291 131 B E H > + 0 0 137 -2,-1.8 4,-2.8 1,-0.2 5,-0.2 0.852 68.9 58.6 -69.1 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0.922 113.3 47.4 -58.9 -47.6 27.9 13.5 225.1 312 152 B N H X S+ 0 0 62 -4,-2.4 4,-0.6 -5,-0.3 -2,-0.2 0.864 108.4 56.1 -63.0 -32.4 27.3 10.9 222.3 313 153 B A H >< S+ 0 0 51 -4,-2.2 3,-1.1 -5,-0.2 -2,-0.2 0.932 106.7 49.5 -62.7 -46.2 29.1 8.2 224.4 314 154 B W H 3< S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.871 110.0 52.4 -60.0 -37.4 26.6 8.9 227.3 315 155 B L H 3< 0 0 16 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.572 360.0 360.0 -79.9 -8.6 23.7 8.6 224.9 316 156 B K << 0 0 232 -3,-1.1 -3,-0.0 -4,-0.6 -4,-0.0 -0.159 360.0 360.0 -70.5 360.0 24.8 5.2 223.5 317 !* 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 0.0 318 0 C A 0 0 155 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -13.4 -4.9 15.7 249.5 319 1 C X - 0 0 157 2,-0.2 9,-0.0 1,-0.1 0, 0.0 -0.976 360.0-142.8-132.5 148.6 -2.8 18.2 251.4 320 2 C A S S+ 0 0 69 -2,-0.3 8,-3.0 8,-0.1 9,-0.5 0.432 84.0 76.8 -83.6 -2.6 -2.8 22.0 251.3 321 3 C T B S-C 327 0C 62 6,-0.3 6,-0.2 7,-0.1 -2,-0.2 -0.719 73.1-130.6-114.9 161.1 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332 14 C Q H X S+ 0 0 68 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.898 111.4 51.3 -65.7 -37.6 2.8 29.5 244.3 333 15 C K H X S+ 0 0 113 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.924 113.6 44.2 -64.4 -45.9 2.1 33.3 245.0 334 16 C L H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.916 111.4 53.2 -65.7 -43.0 5.7 33.8 246.2 335 17 C A H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.891 107.4 52.5 -59.7 -40.1 7.1 31.7 243.4 336 18 C N H X S+ 0 0 97 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.935 111.9 45.0 -60.6 -44.9 5.3 33.9 240.8 337 19 C A H X S+ 0 0 29 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.880 112.7 51.7 -65.4 -41.1 6.7 37.0 242.4 338 20 C L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.841 106.9 53.7 -65.9 -35.8 10.1 35.4 242.5 339 21 C N H X S+ 0 0 15 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.877 107.7 49.6 -64.0 -40.8 9.8 34.6 238.9 340 22 C N H X S+ 0 0 74 -4,-1.9 4,-1.7 2,-0.2 68,-0.2 0.885 111.0 50.8 -67.1 -34.3 9.1 38.2 238.0 341 23 C L H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.927 108.2 52.3 -62.8 -47.0 12.2 39.1 240.1 342 24 C L 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48.7 -61.4 -42.8 26.7 53.4 236.5 423 105 C Q H X S+ 0 0 75 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.876 107.3 57.5 -65.2 -34.7 23.5 55.3 236.7 424 106 C G H X S+ 0 0 12 -4,-1.9 4,-2.4 -5,-0.3 -1,-0.2 0.884 105.9 49.7 -58.5 -43.9 21.8 52.4 234.9 425 107 C L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.925 110.4 49.2 -60.8 -45.8 23.1 50.1 237.7 426 108 C V H X S+ 0 0 8 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.927 112.4 48.9 -59.3 -44.3 21.7 52.4 240.4 427 109 C D H X S+ 0 0 87 -4,-2.6 4,-1.3 2,-0.2 -1,-0.2 0.898 113.8 45.2 -64.0 -43.4 18.3 52.6 238.6 428 110 C G H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 3,-0.3 0.928 111.9 50.4 -67.9 -46.7 18.1 48.8 238.2 429 111 C F H X S+ 0 0 2 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.873 105.7 58.6 -60.7 -33.4 19.2 47.9 241.8 430 112 C S H X S+ 0 0 58 -4,-2.1 4,-1.9 -5,-0.3 -1,-0.2 0.911 107.9 45.6 -60.1 -40.5 16.5 50.4 243.0 431 113 C I H X S+ 0 0 44 -4,-1.3 4,-2.3 -3,-0.3 -2,-0.2 0.927 113.8 49.0 -65.6 -47.9 13.9 48.3 241.1 432 114 C L H X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.928 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41.2 -84.4 -93.3-178.2 53.6 1.0 282.0 483 5 D L T 3 S+ 0 0 164 1,-0.3 69,-0.1 2,-0.1 -1,-0.0 0.805 128.1 51.5 -62.1 -32.1 51.1 3.6 281.2 484 6 D I T 3 S- 0 0 80 67,-0.3 -1,-0.3 2,-0.1 68,-0.1 0.450 120.6-106.9 -84.2 -0.3 50.5 2.3 277.7 485 7 D G S < S+ 0 0 51 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.550 76.8 126.0 93.0 9.3 49.8 -1.2 279.1 486 8 D L S S- 0 0 51 1,-0.1 -4,-2.5 2,-0.0 -1,-0.3 -0.546 73.5 -79.3 -96.0 166.4 53.0 -3.0 278.0 487 9 D D B > -D 481 0D 63 -6,-0.2 4,-2.1 -2,-0.2 -6,-0.3 -0.405 37.3-141.2 -66.2 133.1 55.4 -4.9 280.3 488 10 D T H > S+ 0 0 34 -8,-2.5 4,-2.4 2,-0.2 5,-0.2 0.939 96.3 46.7 -62.9 -50.6 57.7 -2.4 282.1 489 11 D T H > S+ 0 0 109 -9,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.920 114.7 44.9 -58.8 -47.8 60.9 -4.5 281.9 490 12 D Q H > S+ 0 0 82 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.880 113.3 51.9 -66.7 -37.0 60.6 -5.4 278.3 491 13 D S H X S+ 0 0 3 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.881 107.9 51.7 -67.7 -37.6 59.7 -1.8 277.4 492 14 D Q H X S+ 0 0 91 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.892 108.4 51.1 -67.7 -38.1 62.8 -0.5 279.3 493 15 D K H X S+ 0 0 132 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.924 112.6 46.3 -62.0 -45.4 65.0 -2.9 277.3 494 16 D L H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.917 110.8 53.0 -61.1 -43.5 63.5 -1.6 274.1 495 17 D A H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.890 106.6 53.2 -58.6 -39.7 63.8 2.0 275.3 496 18 D N H X S+ 0 0 100 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.920 110.9 45.6 -63.4 -41.1 67.5 1.4 275.9 497 19 D A H X S+ 0 0 22 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.906 112.2 51.5 -69.4 -39.1 68.0 0.1 272.4 498 20 D L H X S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.2 0.851 107.0 54.3 -64.5 -35.1 66.0 3.0 271.0 499 21 D N H X S+ 0 0 18 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.900 107.0 49.9 -66.9 -39.0 68.2 5.4 272.9 500 22 D N H X S+ 0 0 54 -4,-1.9 4,-1.8 1,-0.2 68,-0.3 0.876 111.6 49.7 -64.3 -38.3 71.4 3.9 271.4 501 23 D L H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.926 108.9 51.9 -60.1 -48.6 69.7 4.3 268.0 502 24 D L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.895 106.5 54.2 -56.0 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240.8 523 45 D E T 3> S+ 0 0 82 -3,-0.3 4,-2.9 1,-0.2 5,-0.4 0.429 75.1 107.2 -83.5 3.0 78.3 19.3 242.9 524 46 D F H <> S+ 0 0 69 -3,-2.4 4,-2.4 1,-0.2 5,-0.3 0.874 78.8 36.8 -54.9 -55.5 77.7 22.2 245.2 525 47 D F H > S+ 0 0 171 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.946 120.3 46.9 -65.4 -43.0 74.1 23.1 244.3 526 48 D E H > S+ 0 0 118 -4,-0.3 4,-2.2 1,-0.2 -2,-0.2 0.919 120.9 35.9 -64.9 -47.8 72.9 19.6 243.7 527 49 D L H X S+ 0 0 2 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.793 109.6 60.9 -79.7 -28.0 74.4 18.2 246.9 528 50 D H H X S+ 0 0 40 -4,-2.4 4,-1.5 -5,-0.4 -2,-0.2 0.961 114.8 40.0 -60.3 -43.3 73.9 21.3 249.1 529 51 D A H X S+ 0 0 54 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.925 115.6 49.0 -66.7 -47.1 70.2 20.6 248.3 530 52 D K H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.922 110.8 50.1 -65.0 -44.4 70.3 16.8 248.6 531 53 D F H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.898 109.1 52.9 -61.5 -36.5 72.1 16.8 251.9 532 54 D E H X S+ 0 0 84 -4,-1.5 4,-2.3 -5,-0.3 -2,-0.2 0.935 108.6 49.8 -62.4 -45.7 69.5 19.3 253.3 533 55 D E H X S+ 0 0 97 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.926 113.2 47.7 -53.3 -46.3 66.7 16.9 252.2 534 56 D I H X S+ 0 0 5 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.939 113.9 43.3 -67.6 -48.5 68.5 14.0 253.9 535 57 D Y H X S+ 0 0 6 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.842 110.5 57.4 -70.8 -29.0 69.2 15.8 257.3 536 58 D T H X S+ 0 0 66 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.919 108.9 46.1 -63.0 -43.5 65.6 17.3 257.2 537 59 D D H X S+ 0 0 74 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.882 110.9 52.7 -66.7 -39.3 64.3 13.7 257.1 538 60 D L H X S+ 0 0 3 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.900 105.4 55.3 -61.8 -37.7 66.7 12.6 259.8 539 61 D Q H X S+ 0 0 21 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.890 105.2 51.5 -63.1 -41.9 65.5 15.4 262.1 540 62 D L H X S+ 0 0 92 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.900 111.4 48.5 -61.7 -43.5 61.9 14.2 261.7 541 63 D K H X S+ 0 0 17 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.855 107.5 54.5 -65.4 -35.3 63.0 10.6 262.7 542 64 D I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.924 108.3 50.5 -62.3 -43.6 64.9 12.0 265.7 543 65 D D H X S+ 0 0 27 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.951 114.2 43.9 -56.1 -54.1 61.6 13.7 266.8 544 66 D E H X S+ 0 0 92 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.840 112.0 52.3 -66.6 -36.6 59.6 10.5 266.5 545 67 D L H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.944 108.9 48.9 -65.7 -46.4 62.3 8.3 268.1 546 68 D A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.901 112.7 49.3 -59.1 -43.2 62.5 10.5 271.2 547 69 D E H X S+ 0 0 64 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.833 107.1 54.5 -66.4 -32.6 58.7 10.5 271.4 548 70 D R H X S+ 0 0 40 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.914 107.9 50.3 -63.4 -39.9 58.6 6.7 271.1 549 71 D I H ><>S+ 0 0 0 -4,-2.1 5,-2.0 1,-0.2 3,-0.5 0.935 112.2 47.0 -64.6 -45.3 61.0 6.4 274.0 550 72 D L H ><5S+ 0 0 52 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.865 107.0 57.7 -60.4 -38.8 58.8 8.8 276.0 551 73 D T H 3<5S+ 0 0 59 -4,-2.1 -67,-0.3 1,-0.3 -1,-0.2 0.792 102.6 54.3 -62.5 -30.0 55.7 6.7 275.0 552 74 D L T <<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.317 123.6-109.2 -85.0 7.7 57.4 3.6 276.6 553 75 D S T < 5S+ 0 0 52 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.864 79.3 128.2 64.2 36.9 57.7 5.7 279.8 554 76 D A < - 0 0 11 -5,-2.0 -1,-0.2 -6,-0.1 -2,-0.1 -0.742 65.1-105.2-119.7 165.3 61.5 6.0 279.3 555 77 D R - 0 0 109 -2,-0.2 2,-0.3 -3,-0.1 -56,-0.0 -0.860 30.1-141.3 -95.8 117.0 63.9 8.9 279.3 556 78 D P - 0 0 0 0, 0.0 2,-0.1 0, 0.0 -10,-0.1 -0.578 26.5-109.2 -73.8 135.2 65.2 9.9 275.9 557 79 D X + 0 0 28 -2,-0.3 3,-0.0 1,-0.1 -11,-0.0 -0.404 42.3 174.2 -59.6 138.1 68.8 10.9 275.8 558 80 D H + 0 0 1 -2,-0.1 2,-0.3 -3,-0.0 -522,-0.2 -0.104 41.0 80.1-146.9 39.6 68.9 14.7 275.2 559 81 D S S > S- 0 0 14 1,-0.1 4,-2.5 -466,-0.1 5,-0.2 -0.994 70.2-128.9-146.6 144.5 72.5 16.0 275.5 560 82 D F H > S+ 0 0 6 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.884 112.0 54.2 -53.2 -43.7 75.5 16.0 273.1 561 83 D S H > S+ 0 0 54 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.918 108.7 48.3 -65.5 -38.0 77.7 14.5 275.8 562 84 D G H > S+ 0 0 18 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.939 112.0 48.9 -62.6 -44.2 75.2 11.6 276.2 563 85 D Y H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.904 108.8 52.6 -64.4 -40.3 75.0 11.0 272.5 564 86 D L H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.834 109.8 50.2 -67.4 -32.5 78.8 11.0 272.1 565 87 D K H < S+ 0 0 192 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.885 119.9 34.0 -70.3 -35.1 79.1 8.4 274.8 566 88 D A H < S+ 0 0 33 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.680 93.3 103.2 -94.2 -25.6 76.5 6.1 273.4 567 89 D A < - 0 0 24 -4,-2.5 -66,-0.1 -64,-0.2 -67,-0.1 -0.377 43.8-169.6 -69.2 141.9 76.9 6.5 269.6 568 90 D Q S S+ 0 0 133 -68,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.723 72.2 86.0 -88.3 -36.1 78.7 3.9 267.4 569 91 D I S S- 0 0 13 1,-0.1 2,-0.2 19,-0.1 -62,-0.1 -0.500 80.5-136.8 -66.4 129.9 78.6 6.3 264.4 570 92 D K - 0 0 178 -2,-0.2 2,-0.1 1,-0.1 -2,-0.1 -0.558 21.6 -92.9 -89.5 155.6 81.7 8.5 264.7 571 93 D E - 0 0 64 -2,-0.2 2,-0.5 -7,-0.1 -1,-0.1 -0.428 39.4-163.6 -62.4 135.8 82.0 12.3 264.1 572 94 D H + 0 0 59 -65,-0.2 2,-0.3 -492,-0.2 3,-0.2 -0.961 15.4 174.8-132.0 105.2 83.0 12.9 260.5 573 95 D T + 0 0 50 -2,-0.5 3,-0.1 1,-0.2 -492,-0.1 -0.786 50.9 26.0-115.3 157.5 84.3 16.4 259.9 574 96 D D + 0 0 84 -2,-0.3 2,-0.8 1,-0.2 -1,-0.2 0.833 66.0 155.9 59.6 38.0 85.8 18.3 257.0 575 97 D S + 0 0 3 -3,-0.2 -1,-0.2 -64,-0.1 -57,-0.2 -0.877 4.9 160.6 -89.5 107.1 84.1 16.2 254.3 576 98 D I + 0 0 67 -2,-0.8 -56,-1.9 -3,-0.1 2,-0.4 0.308 44.3 75.1-115.4 1.2 84.1 18.6 251.4 577 99 D D S > S- 0 0 75 -58,-0.2 4,-2.2 1,-0.1 5,-0.3 -0.924 77.2-123.2-120.9 147.9 83.7 16.4 248.3 578 100 D G H > S+ 0 0 5 -2,-0.4 4,-3.3 -58,-0.3 5,-0.3 0.907 107.8 48.8 -50.5 -51.2 80.6 14.5 247.0 579 101 D R H > S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.934 112.3 48.1 -62.7 -43.2 82.0 11.0 247.0 580 102 D S H > S+ 0 0 39 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.924 117.6 41.9 -60.7 -46.4 83.4 11.3 250.6 581 103 D S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 115.2 49.0 -69.5 -43.5 80.1 12.7 252.0 582 104 D X H X S+ 0 0 5 -4,-3.3 4,-2.2 -5,-0.3 -2,-0.2 0.915 112.1 49.0 -65.6 -38.7 77.9 10.3 249.9 583 105 D Q H X S+ 0 0 76 -4,-2.8 4,-2.8 -5,-0.3 -1,-0.2 0.893 107.1 56.8 -68.4 -34.0 79.9 7.3 251.1 584 106 D G H X S+ 0 0 11 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.919 106.8 49.2 -59.6 -40.5 79.6 8.6 254.6 585 107 D L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.924 110.3 49.7 -65.1 -44.0 75.8 8.5 254.2 586 108 D V H X S+ 0 0 9 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.932 113.0 47.7 -59.5 -44.9 75.9 5.0 252.9 587 109 D D H X S+ 0 0 87 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.897 114.1 46.3 -65.8 -39.1 78.1 3.8 255.7 588 110 D G H X S+ 0 0 4 -4,-2.3 4,-2.5 2,-0.2 3,-0.2 0.937 112.2 49.1 -67.3 -48.2 75.9 5.6 258.4 589 111 D F H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.824 105.8 59.2 -61.4 -33.6 72.6 4.3 257.0 590 112 D S H X S+ 0 0 58 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.918 108.0 44.9 -61.4 -40.6 74.1 0.8 256.9 591 113 D I H X S+ 0 0 44 -4,-1.4 4,-2.5 -3,-0.2 -2,-0.2 0.937 113.9 50.3 -65.7 -45.4 74.6 1.0 260.7 592 114 D L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.921 109.3 50.8 -62.3 -42.8 71.1 2.4 261.2 593 115 D L H X S+ 0 0 10 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.926 111.0 48.1 -60.6 -46.0 69.5 -0.3 259.1 594 116 D H H X S+ 0 0 120 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.926 114.1 46.7 -61.4 -45.0 71.3 -3.1 261.1 595 117 D Q H X S+ 0 0 32 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.891 111.7 50.5 -64.9 -40.8 70.3 -1.5 264.4 596 118 D Q H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.868 107.5 53.2 -68.1 -38.0 66.7 -1.0 263.4 597 119 D R H X S+ 0 0 110 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.887 108.2 51.4 -61.8 -38.5 66.4 -4.6 262.2 598 120 D D H X S+ 0 0 85 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.923 112.2 45.9 -65.9 -41.7 67.7 -5.7 265.6 599 121 D I H X S+ 0 0 7 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.899 109.8 54.4 -67.0 -41.2 65.1 -3.6 267.4 600 122 D L H X S+ 0 0 61 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.939 109.7 47.7 -54.7 -46.8 62.4 -4.7 265.1 601 123 D E H X S+ 0 0 126 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.940 113.3 47.2 -64.4 -43.9 63.2 -8.4 266.0 602 124 D L H X S+ 0 0 30 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.906 111.2 51.0 -60.7 -45.1 63.2 -7.6 269.7 603 125 D A H >X>S+ 0 0 0 -4,-2.9 5,-2.2 1,-0.2 3,-0.7 0.911 108.0 53.5 -62.1 -38.8 60.0 -5.7 269.5 604 126 D G H 3<5S+ 0 0 52 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.833 99.2 64.1 -63.6 -35.6 58.4 -8.6 267.7 605 127 D E H 3<5S+ 0 0 126 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.803 116.2 27.5 -56.8 -36.7 59.5 -11.0 270.5 606 128 D T H <<5S- 0 0 49 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.341 112.9-106.9-115.3 8.1 57.2 -9.3 273.0 607 129 D G T <5 + 0 0 55 -4,-0.7 2,-2.0 -3,-0.5 -3,-0.2 0.734 58.4 156.8 79.8 22.7 54.5 -7.9 270.8 608 130 D D >< + 0 0 5 -5,-2.2 4,-2.3 1,-0.2 3,-0.3 -0.562 10.2 170.2 -82.2 80.4 55.5 -4.2 270.9 609 131 D E H > + 0 0 134 -2,-2.0 4,-2.9 1,-0.2 5,-0.2 0.837 69.2 58.7 -61.8 -40.3 53.7 -3.4 267.7 610 132 D G H > S+ 0 0 34 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.895 111.4 41.0 -60.0 -38.0 54.1 0.4 268.0 611 133 D T H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.901 115.0 52.1 -73.7 -44.2 57.9 0.1 268.2 612 134 D S H X S+ 0 0 14 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.923 107.6 51.9 -52.8 -47.7 57.9 -2.5 265.4 613 135 D A H X S+ 0 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0 0 16 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.551 360.0 360.0 -74.5 -11.6 78.3 6.4 243.6 634 156 D K << 0 0 231 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.719 360.0 360.0 -69.5 360.0 78.6 3.9 240.7