==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM BINDING PROTEIN 24-JAN-08 3C1V . COMPND 2 MOLECULE: PROTEIN S100-A4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.R.GINGRAS,I.L.BARSUKOV . 379 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 279 73.6 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 . 12 3.2 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 . 2 0.5 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 . 18 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 52.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 4 0 0 0 0 0 0 9 0 0 0 0 0 7 0 0 0 0 0 0 0 0 0 0 0 0 0 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 . 0 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 ANTIPARALLEL 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 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 A 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -39.9 21.3 -59.5 17.9 2 3 A C >> - 0 0 23 1,-0.1 4,-2.0 2,-0.0 3,-0.6 -0.787 360.0-179.7-122.0 87.5 24.0 -56.7 18.2 3 4 A P H 3> S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.792 82.3 55.5 -55.1 -34.6 22.4 -53.3 18.7 4 5 A L H 3> S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.869 107.7 47.7 -70.7 -36.8 25.7 -51.4 18.9 5 6 A E H <> S+ 0 0 42 -3,-0.6 4,-1.8 129,-0.5 -1,-0.2 0.885 112.8 49.9 -67.8 -38.2 26.8 -52.8 15.5 6 7 A K H X S+ 0 0 135 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.884 107.7 54.4 -64.1 -40.0 23.4 -51.8 14.1 7 8 A A H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.894 107.0 50.6 -59.5 -42.8 23.9 -48.3 15.6 8 9 A L H X S+ 0 0 3 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.896 107.9 52.9 -63.3 -40.5 27.3 -48.0 13.8 9 10 A D H X S+ 0 0 92 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.867 108.0 50.9 -62.4 -37.9 25.6 -49.0 10.5 10 11 A V H X S+ 0 0 36 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.912 108.1 52.9 -65.0 -42.8 23.0 -46.3 11.0 11 12 A M H X S+ 0 0 4 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.912 113.6 43.3 -56.7 -45.3 25.8 -43.8 11.6 12 13 A V H X S+ 0 0 3 -4,-2.1 4,-1.5 2,-0.2 3,-0.3 0.956 116.2 45.2 -66.4 -52.2 27.4 -44.8 8.3 13 14 A S H X S+ 0 0 49 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.851 108.4 56.4 -65.3 -37.4 24.3 -44.9 6.2 14 15 A T H X S+ 0 0 6 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.876 104.5 54.2 -63.2 -38.4 22.8 -41.6 7.5 15 16 A F H >X S+ 0 0 1 -4,-1.2 4,-3.1 -3,-0.3 3,-1.2 0.962 111.8 43.0 -57.1 -53.7 26.0 -39.8 6.5 16 17 A H H 3X S+ 0 0 28 -4,-1.5 4,-1.4 1,-0.3 -2,-0.2 0.776 100.1 71.3 -66.5 -29.7 25.7 -41.0 2.9 17 18 A K H 3< S+ 0 0 103 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.806 120.0 17.3 -52.7 -31.5 22.0 -40.3 2.8 18 19 A Y H X< S+ 0 0 0 -3,-1.2 3,-1.4 -4,-0.8 4,-0.4 0.734 116.8 64.5-114.1 -34.7 22.9 -36.6 2.7 19 20 A S H 3< S+ 0 0 0 -4,-3.1 8,-0.5 1,-0.3 3,-0.4 0.789 100.1 56.5 -64.5 -27.9 26.6 -36.4 1.7 20 21 A G T 3< S+ 0 0 41 -4,-1.4 -1,-0.3 -5,-0.2 5,-0.1 0.410 86.3 81.6 -85.4 2.0 25.9 -37.9 -1.7 21 22 A K S < S+ 0 0 101 -3,-1.4 2,-0.3 1,-0.2 -1,-0.2 0.850 98.8 19.0 -76.4 -36.8 23.2 -35.2 -2.7 22 23 A E S S- 0 0 83 -3,-0.4 5,-0.2 -4,-0.4 -1,-0.2 -0.987 110.8 -35.7-140.8 144.4 25.6 -32.4 -3.9 23 24 A G S S+ 0 0 72 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.086 119.2 31.7 49.4-134.9 29.2 -32.0 -5.0 24 25 A D S > S- 0 0 61 1,-0.2 3,-1.1 2,-0.1 -2,-0.3 -0.356 72.7-152.5 -53.3 118.2 31.7 -34.3 -3.2 25 26 A K T 3 S+ 0 0 117 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.1 0.611 92.0 52.8 -72.5 -12.4 29.6 -37.4 -2.5 26 27 A F T 3 S+ 0 0 60 -6,-0.1 45,-0.5 -7,-0.0 2,-0.3 0.276 104.2 61.1-108.8 7.6 31.8 -38.2 0.6 27 28 A K E < S-A 70 0A 51 -3,-1.1 2,-0.6 -8,-0.5 43,-0.2 -0.986 75.0-127.5-135.0 146.6 31.5 -34.8 2.3 28 29 A L E -A 69 0A 0 41,-3.0 41,-2.8 -2,-0.3 -9,-0.1 -0.834 23.7-162.3 -92.0 120.5 28.6 -32.8 3.7 29 30 A N > - 0 0 33 -2,-0.6 4,-2.8 39,-0.2 5,-0.2 -0.284 42.9 -84.8 -83.3-177.5 28.3 -29.2 2.5 30 31 A K H > S+ 0 0 47 37,-0.3 4,-2.4 1,-0.2 5,-0.1 0.923 129.3 47.1 -54.8 -49.9 26.3 -26.5 4.3 31 32 A S H > S+ 0 0 54 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.879 115.0 45.7 -61.7 -42.1 23.0 -27.5 2.6 32 33 A E H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.884 111.9 51.0 -70.7 -40.6 23.5 -31.2 3.3 33 34 A L H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.900 108.7 53.8 -60.4 -42.7 24.5 -30.7 6.9 34 35 A K H X S+ 0 0 52 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.917 111.1 44.5 -57.1 -47.4 21.4 -28.6 7.3 35 36 A E H X S+ 0 0 63 -4,-1.8 4,-2.3 2,-0.2 5,-0.4 0.902 113.8 49.2 -67.8 -42.0 19.2 -31.3 6.0 36 37 A L H X>S+ 0 0 1 -4,-2.5 4,-3.0 2,-0.2 5,-0.8 0.951 114.9 44.6 -60.3 -50.5 20.9 -34.1 8.1 37 38 A L H X5S+ 0 0 2 -4,-2.8 4,-1.2 3,-0.2 7,-0.2 0.923 116.4 44.7 -60.3 -48.7 20.7 -32.0 11.3 38 39 A T H <5S+ 0 0 74 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.878 125.8 30.8 -65.7 -41.6 17.1 -30.9 10.8 39 40 A R H <5S+ 0 0 116 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.857 132.2 26.7 -86.8 -38.4 15.8 -34.4 9.8 40 41 A E H <5S+ 0 0 10 -4,-3.0 59,-0.5 -5,-0.4 -3,-0.2 0.703 131.7 28.4-105.3 -25.2 18.0 -36.8 11.6 41 42 A L >X< + 0 0 4 -4,-1.2 3,-1.6 -5,-0.8 4,-0.8 -0.310 65.9 148.0-130.4 51.2 19.2 -35.0 14.8 42 43 A P H 3> S+ 0 0 54 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.788 70.3 62.0 -62.0 -26.8 16.4 -32.5 15.5 43 44 A S H 34 S+ 0 0 91 2,-0.2 4,-0.1 1,-0.2 -5,-0.1 0.744 96.7 61.6 -67.8 -25.3 17.0 -32.7 19.3 44 45 A F H <4 S+ 0 0 73 -3,-1.6 -1,-0.2 -7,-0.2 -6,-0.1 0.988 117.8 20.3 -68.2 -63.5 20.6 -31.3 18.8 45 46 A L H >< S+ 0 0 28 -4,-0.8 3,-2.3 1,-0.2 2,-0.3 0.766 86.1 177.7 -78.0 -25.0 20.0 -27.8 17.4 46 47 A G T 3< S- 0 0 44 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.1 -0.438 73.8 -5.8 59.3-116.4 16.4 -27.6 18.5 47 48 A K T 3 S+ 0 0 200 -2,-0.3 2,-1.8 1,-0.2 -1,-0.3 0.508 112.3 98.2 -85.6 -6.7 15.0 -24.2 17.5 48 49 A R < + 0 0 132 -3,-2.3 -1,-0.2 1,-0.2 -2,-0.1 -0.463 35.7 127.6 -87.3 68.4 18.4 -23.0 16.2 49 50 A T + 0 0 72 -2,-1.8 -1,-0.2 4,-0.1 -3,-0.1 0.181 39.0 119.6-106.4 13.7 17.9 -23.7 12.5 50 51 A D S > S- 0 0 57 -3,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.266 79.4-105.1 -74.3 165.6 18.9 -20.2 11.5 51 52 A E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.835 118.6 56.0 -62.8 -36.0 21.9 -19.4 9.2 52 53 A A H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.906 107.4 48.8 -63.7 -42.7 24.1 -18.1 12.1 53 54 A A H > S+ 0 0 11 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.914 112.4 48.6 -62.6 -43.6 23.7 -21.4 14.0 54 55 A F H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.838 110.0 50.8 -68.8 -33.9 24.6 -23.4 10.9 55 56 A Q H X S+ 0 0 93 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 111.9 47.8 -67.8 -41.9 27.6 -21.3 10.1 56 57 A K H X S+ 0 0 121 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 113.1 48.4 -62.6 -44.6 28.9 -21.8 13.7 57 58 A L H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.924 110.6 50.8 -62.3 -45.3 28.2 -25.5 13.5 58 59 A M H X S+ 0 0 9 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.931 111.6 47.5 -57.0 -47.8 30.0 -25.8 10.2 59 60 A S H < S+ 0 0 73 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 112.3 50.6 -62.5 -37.1 33.1 -23.9 11.6 60 61 A N H < S+ 0 0 95 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.881 118.3 37.3 -65.1 -40.1 33.0 -26.1 14.7 61 62 A L H < S+ 0 0 17 -4,-2.3 2,-2.0 1,-0.2 3,-0.2 0.794 98.0 78.8 -85.9 -32.7 32.9 -29.4 12.7 62 63 A D >< + 0 0 13 -4,-2.7 3,-1.2 -5,-0.2 5,-0.2 -0.495 52.4 161.5 -83.1 73.2 35.2 -28.5 9.8 63 64 A S T 3 S+ 0 0 93 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.792 72.6 50.3 -67.3 -30.7 38.5 -29.0 11.6 64 65 A N T 3 S- 0 0 87 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.436 105.8-128.6 -88.7 0.8 40.6 -29.2 8.4 65 66 A R < + 0 0 215 -3,-1.2 -2,-0.1 -6,-0.1 -6,-0.0 0.839 67.4 130.6 56.9 42.7 39.0 -26.0 7.0 66 67 A D S S- 0 0 44 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.184 78.2-112.0-104.5 14.6 38.0 -27.3 3.6 67 68 A N S S+ 0 0 128 -5,-0.2 2,-0.3 1,-0.2 -37,-0.3 0.444 89.0 77.9 72.8 5.0 34.5 -25.9 4.0 68 69 A E S S- 0 0 46 -39,-0.1 2,-0.6 -7,-0.0 -2,-0.4 -0.896 78.9-115.6-136.4 166.2 32.8 -29.3 4.2 69 70 A V E -A 28 0A 0 -41,-2.8 -41,-3.0 -2,-0.3 -7,-0.1 -0.916 30.8-163.5-107.7 111.8 32.3 -32.1 6.8 70 71 A D E > -A 27 0A 32 -2,-0.6 4,-2.2 -43,-0.2 5,-0.2 -0.257 38.8 -92.9 -83.9 178.2 34.0 -35.4 5.9 71 72 A F H > S+ 0 0 11 -45,-0.5 4,-2.2 1,-0.2 5,-0.1 0.883 125.2 51.1 -63.0 -39.3 33.2 -38.7 7.6 72 73 A Q H > S+ 0 0 119 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 111.8 46.8 -62.0 -45.9 36.0 -38.4 10.2 73 74 A E H > S+ 0 0 5 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 110.6 54.0 -64.9 -35.6 34.7 -34.9 11.2 74 75 A Y H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.885 106.9 50.9 -64.5 -41.2 31.2 -36.3 11.3 75 76 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.878 108.4 51.7 -65.0 -38.9 32.2 -39.0 13.7 76 77 A V H X S+ 0 0 98 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.914 110.5 50.2 -61.1 -43.0 33.9 -36.4 16.0 77 78 A F H X S+ 0 0 12 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.942 111.6 45.9 -59.3 -51.7 30.6 -34.5 15.9 78 79 A L H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.860 110.6 54.7 -61.4 -37.1 28.5 -37.6 16.8 79 80 A S H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.886 105.8 52.4 -62.1 -40.5 31.1 -38.4 19.5 80 81 A C H X S+ 0 0 56 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.881 110.0 48.3 -62.4 -40.8 30.6 -34.9 21.0 81 82 A I H X S+ 0 0 15 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.925 111.5 49.7 -65.0 -45.5 26.8 -35.5 21.1 82 83 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.895 108.5 53.4 -59.5 -42.1 27.2 -38.9 22.8 83 84 A M H X S+ 0 0 49 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.874 107.5 51.2 -61.7 -38.4 29.6 -37.3 25.4 84 85 A M H X S+ 0 0 99 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.910 110.8 47.4 -65.1 -43.2 26.9 -34.7 26.2 85 86 A C H >< S+ 0 0 49 -4,-2.1 3,-0.9 1,-0.2 4,-0.3 0.875 108.0 57.6 -63.7 -38.3 24.3 -37.4 26.7 86 87 A N H >< S+ 0 0 25 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.862 99.1 59.5 -57.3 -39.0 26.8 -39.3 28.8 87 88 A E H 3< S+ 0 0 123 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.727 112.7 37.6 -64.8 -24.3 27.1 -36.3 31.1 88 89 A F T X< S+ 0 0 133 -3,-0.9 3,-1.6 -4,-0.6 -1,-0.2 0.279 82.8 107.8-110.4 8.4 23.3 -36.5 31.9 89 90 A F T < S+ 0 0 92 -3,-1.1 -2,-0.1 -4,-0.3 -1,-0.1 0.833 79.1 51.9 -57.3 -37.3 23.0 -40.3 32.0 90 91 A E T 3 S- 0 0 87 2,-0.4 -1,-0.3 -4,-0.3 -2,-0.1 0.565 119.8-107.0 -77.4 -10.4 22.6 -40.4 35.8 91 92 A G S < S+ 0 0 71 -3,-1.6 -2,-0.1 1,-0.2 -3,-0.1 0.488 99.1 57.1 91.3 3.6 19.8 -37.7 35.7 92 93 A F 0 0 134 -5,-0.1 -2,-0.4 0, 0.0 -1,-0.2 -0.958 360.0 360.0-152.9 158.8 22.2 -35.1 37.1 93 94 A P 0 0 127 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.500 360.0 360.0 -66.0 360.0 25.6 -33.6 36.1 94 !* 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 95 2 B A 0 0 141 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 147.2 11.3 -41.8 14.1 96 3 B C >> - 0 0 26 1,-0.1 4,-1.8 2,-0.0 3,-0.7 -0.840 360.0-174.3-118.7 91.5 15.0 -40.7 14.1 97 4 B P H 3> S+ 0 0 66 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.787 83.5 56.7 -55.8 -34.5 17.2 -43.7 13.8 98 5 B L H 3> S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.859 106.9 48.2 -69.2 -35.9 20.4 -41.7 14.3 99 6 B E H <> S+ 0 0 38 -3,-0.7 4,-2.0 -59,-0.5 -1,-0.2 0.882 112.4 49.8 -68.3 -37.6 19.2 -40.4 17.7 100 7 B K H X S+ 0 0 126 -4,-1.8 4,-1.9 2,-0.2 -2,-0.2 0.848 109.1 53.0 -65.7 -35.8 18.3 -44.0 18.6 101 8 B A H X S+ 0 0 5 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.919 108.9 48.2 -65.6 -45.4 21.8 -45.1 17.5 102 9 B L H X S+ 0 0 5 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.877 108.8 54.4 -61.6 -40.1 23.4 -42.4 19.8 103 10 B D H X S+ 0 0 88 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.909 110.2 46.2 -60.7 -43.4 21.2 -43.6 22.7 104 11 B V H X S+ 0 0 40 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.862 108.8 56.6 -66.3 -37.8 22.4 -47.2 22.2 105 12 B M H X S+ 0 0 3 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.909 113.4 40.1 -58.0 -45.4 26.0 -45.9 22.0 106 13 B V H X S+ 0 0 5 -4,-2.1 4,-1.4 2,-0.2 3,-0.3 0.943 117.6 45.7 -71.2 -49.8 25.7 -44.2 25.4 107 14 B S H X S+ 0 0 49 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.853 106.6 58.3 -67.5 -35.7 23.7 -47.0 27.2 108 15 B T H X S+ 0 0 5 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.867 103.5 54.4 -62.7 -36.2 25.9 -49.9 25.9 109 16 B F H >X S+ 0 0 0 -4,-0.9 4,-2.9 -3,-0.3 3,-1.2 0.958 112.0 42.2 -58.2 -52.5 28.9 -48.2 27.5 110 17 B H H 3X S+ 0 0 25 -4,-1.4 4,-1.4 1,-0.3 -2,-0.2 0.732 100.3 72.1 -71.7 -24.0 27.2 -48.0 30.9 111 18 B K H 3< S+ 0 0 104 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.785 118.9 18.3 -56.0 -30.8 25.8 -51.5 30.5 112 19 B Y H X< S+ 0 0 0 -3,-1.2 3,-1.5 -4,-0.7 4,-0.4 0.728 117.9 62.9-112.2 -34.8 29.4 -52.7 31.1 113 20 B S H 3< S+ 0 0 0 -4,-2.9 8,-0.5 1,-0.3 3,-0.4 0.764 100.6 56.3 -66.9 -25.7 31.3 -49.9 32.7 114 21 B G T 3< S+ 0 0 46 -4,-1.4 -1,-0.3 -5,-0.2 5,-0.1 0.337 85.5 82.6 -89.6 6.5 29.1 -50.0 35.8 115 22 B K S < S+ 0 0 96 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.853 100.4 16.3 -78.1 -37.4 29.8 -53.6 36.6 116 23 B E S S- 0 0 90 -4,-0.4 5,-0.2 -3,-0.4 -1,-0.2 -0.982 109.6 -36.2-139.9 149.2 33.1 -53.1 38.4 117 24 B G S S+ 0 0 75 -2,-0.3 2,-0.2 -3,-0.1 5,-0.0 -0.014 117.0 32.3 47.9-134.8 35.1 -50.3 40.0 118 25 B D S > S- 0 0 66 1,-0.2 3,-1.3 2,-0.1 -2,-0.2 -0.379 71.4-154.4 -54.6 115.0 34.8 -46.9 38.3 119 26 B K T 3 S+ 0 0 87 1,-0.2 -1,-0.2 -2,-0.2 -6,-0.1 0.585 91.2 54.6 -72.4 -10.7 31.3 -46.9 36.9 120 27 B F T 3 S+ 0 0 100 -6,-0.1 45,-0.6 -7,-0.1 2,-0.3 0.273 105.0 60.1-106.2 7.7 32.3 -44.4 34.2 121 28 B K E < S-B 164 0B 55 -3,-1.3 2,-0.6 -8,-0.5 43,-0.2 -0.980 74.2-128.6-136.8 149.3 35.3 -46.5 32.8 122 29 B L E -B 163 0B 0 41,-2.9 41,-2.7 -2,-0.3 -9,-0.1 -0.873 23.6-161.5 -96.6 116.9 35.7 -49.9 31.3 123 30 B N > - 0 0 29 -2,-0.6 4,-2.6 39,-0.2 5,-0.2 -0.239 43.0 -85.8 -79.6-177.4 38.4 -52.0 32.9 124 31 B K H > S+ 0 0 87 37,-0.3 4,-2.3 1,-0.2 5,-0.1 0.923 129.1 48.6 -57.3 -47.9 39.9 -55.0 31.0 125 32 B S H > S+ 0 0 50 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.890 114.4 45.0 -59.6 -44.7 37.2 -57.4 32.2 126 33 B E H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.870 111.4 52.8 -70.1 -38.3 34.4 -55.1 31.2 127 34 B L H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.899 107.4 53.2 -61.7 -42.5 36.0 -54.3 27.8 128 35 B K H X S+ 0 0 61 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.924 111.1 45.6 -57.1 -48.3 36.2 -58.0 27.1 129 36 B E H X S+ 0 0 60 -4,-1.8 4,-2.4 2,-0.2 5,-0.4 0.925 113.6 48.7 -63.0 -47.0 32.5 -58.5 27.8 130 37 B L H X>S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.9 0.935 114.8 44.6 -59.2 -49.9 31.5 -55.4 25.7 131 38 B L H X5S+ 0 0 2 -4,-2.8 4,-1.1 3,-0.2 7,-0.2 0.934 116.3 44.9 -60.8 -49.0 33.6 -56.5 22.8 132 39 B T H <5S+ 0 0 73 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.855 125.9 30.3 -65.9 -38.9 32.6 -60.2 22.8 133 40 B R H <5S+ 0 0 122 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.824 133.0 25.5 -91.8 -35.3 28.9 -59.5 23.3 134 41 B E H <5S+ 0 0 9 -4,-2.9 -129,-0.5 -5,-0.4 -3,-0.2 0.729 132.4 27.0-106.3 -28.9 28.3 -56.1 21.5 135 42 B L >X< + 0 0 3 -4,-1.1 3,-1.6 -5,-0.9 4,-0.7 -0.347 65.2 149.8-130.5 52.6 31.0 -55.8 18.9 136 43 B P H 3> + 0 0 52 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.778 69.2 64.4 -61.1 -25.1 31.9 -59.4 18.0 137 44 B S H 34 S+ 0 0 88 1,-0.2 4,-0.1 2,-0.2 -5,-0.1 0.731 92.4 64.5 -68.3 -25.5 32.9 -58.4 14.4 138 45 B F H <4 S+ 0 0 12 -3,-1.6 -1,-0.2 -7,-0.2 -6,-0.1 0.980 118.1 17.7 -66.1 -59.9 35.8 -56.2 15.6 139 46 B L H >< S+ 0 0 6 -4,-0.7 3,-2.5 1,-0.2 2,-0.3 0.739 85.6 178.1 -83.6 -24.0 38.1 -58.8 17.2 140 47 B G T 3< S- 0 0 43 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 -0.428 75.3 -4.8 58.0-114.7 36.5 -61.8 15.4 141 48 B K T 3 S+ 0 0 200 -2,-0.3 2,-1.8 236,-0.3 -1,-0.3 0.542 113.0 97.0 -83.8 -9.3 38.5 -64.8 16.5 142 49 B R < + 0 0 44 -3,-2.5 -1,-0.2 235,-0.4 -2,-0.1 -0.460 36.1 128.6 -86.7 68.7 41.1 -62.7 18.4 143 50 B T + 0 0 68 -2,-1.8 -1,-0.2 4,-0.1 -3,-0.1 0.173 38.7 118.5-106.1 14.1 39.7 -63.0 21.9 144 51 B D S > S- 0 0 61 -3,-0.1 4,-1.9 1,-0.1 5,-0.1 -0.266 80.9-104.6 -72.8 166.1 43.0 -64.1 23.4 145 52 B E H > S+ 0 0 112 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.828 118.9 57.8 -63.6 -34.5 44.8 -62.1 26.2 146 53 B A H > S+ 0 0 54 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.925 107.6 47.0 -62.1 -45.2 47.4 -60.7 23.7 147 54 B A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.909 112.8 49.4 -61.7 -43.9 44.6 -59.2 21.5 148 55 B F H X S+ 0 0 7 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.830 110.6 48.6 -69.8 -33.9 42.8 -57.7 24.5 149 56 B Q H X S+ 0 0 82 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.893 112.0 50.7 -69.3 -40.0 46.0 -56.1 25.9 150 57 B K H X S+ 0 0 82 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.922 112.1 46.9 -59.9 -47.0 46.8 -54.7 22.4 151 58 B L H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.932 111.6 50.2 -61.8 -47.6 43.3 -53.2 22.2 152 59 B M H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 3,-0.2 0.925 112.0 48.0 -57.1 -46.8 43.4 -51.7 25.7 153 60 B S H < S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.1 50.3 -60.0 -40.5 46.8 -50.1 24.9 154 61 B N H < S+ 0 0 56 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.795 119.7 35.3 -67.0 -31.5 45.4 -48.8 21.6 155 62 B L H < S+ 0 0 3 -4,-1.9 2,-2.1 -3,-0.2 -2,-0.2 0.759 96.1 83.0 -95.1 -30.8 42.3 -47.3 23.3 156 63 B D >< + 0 0 14 -4,-2.8 3,-1.2 -5,-0.2 5,-0.2 -0.484 50.8 163.9 -80.8 73.5 43.7 -46.1 26.6 157 64 B S T 3 S+ 0 0 93 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.801 73.6 48.0 -63.8 -33.3 45.1 -42.8 25.3 158 65 B N T 3 S- 0 0 89 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.429 105.5-127.5 -90.8 0.2 45.6 -41.3 28.8 159 66 B R < + 0 0 214 -3,-1.2 -2,-0.1 -6,-0.1 -3,-0.0 0.788 68.1 130.1 61.3 35.7 47.3 -44.4 30.2 160 67 B D S S- 0 0 44 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.204 78.3-112.8-100.6 14.6 45.1 -44.9 33.2 161 68 B N S S+ 0 0 124 -5,-0.2 2,-0.3 1,-0.2 -37,-0.3 0.464 87.9 80.1 72.9 5.8 44.6 -48.6 32.3 162 69 B E S S- 0 0 47 -39,-0.1 2,-0.7 -10,-0.0 -2,-0.4 -0.901 78.3-115.7-138.0 164.2 40.9 -48.2 31.6 163 70 B V E -B 122 0B 1 -41,-2.7 -41,-2.9 -2,-0.3 -7,-0.1 -0.908 31.3-165.6-106.2 111.3 38.7 -47.0 28.7 164 71 B D E > -B 121 0B 31 -2,-0.7 4,-2.2 -43,-0.2 5,-0.2 -0.274 39.8 -91.5 -84.9 179.4 36.6 -43.9 29.5 165 72 B F H > S+ 0 0 8 -45,-0.6 4,-2.2 1,-0.2 5,-0.1 0.881 125.3 51.0 -62.8 -40.8 33.7 -42.6 27.5 166 73 B Q H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 112.2 46.6 -59.8 -47.3 35.8 -40.3 25.3 167 74 B E H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.842 110.5 53.9 -65.3 -35.1 38.2 -43.1 24.5 168 75 B Y H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.875 106.7 51.7 -64.9 -40.8 35.2 -45.4 23.8 169 76 B C H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.892 107.8 51.5 -64.0 -40.9 33.9 -42.8 21.3 170 77 B V H X S+ 0 0 73 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.908 111.2 49.9 -60.0 -42.1 37.2 -42.7 19.5 171 78 B F H X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.948 111.7 45.4 -60.4 -53.1 37.1 -46.5 19.3 172 79 B L H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.885 110.2 56.0 -61.0 -38.5 33.5 -46.5 17.9 173 80 B S H X S+ 0 0 8 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.896 105.8 51.0 -58.3 -42.2 34.5 -43.8 15.4 174 81 B C H X S+ 0 0 3 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.888 110.3 48.9 -65.2 -38.9 37.3 -45.9 14.1 175 82 B I H X S+ 0 0 16 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.925 110.0 52.3 -64.4 -44.3 35.0 -48.9 13.6 176 83 B A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.894 108.3 50.9 -56.8 -43.3 32.5 -46.5 11.8 177 84 B M H X S+ 0 0 57 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.881 109.7 50.0 -63.5 -39.3 35.3 -45.4 9.5 178 85 B M H X S+ 0 0 46 -4,-1.9 4,-0.5 1,-0.2 3,-0.5 0.917 111.7 47.6 -65.6 -42.3 36.2 -49.0 8.7 179 86 B C H >< S+ 0 0 44 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.865 104.6 62.2 -62.2 -38.3 32.6 -49.8 7.9 180 87 B N H >< S+ 0 0 15 -4,-2.3 3,-1.1 1,-0.3 4,-0.3 0.815 95.1 61.1 -56.1 -34.8 32.5 -46.6 5.8 181 88 B E H 3< S+ 0 0 56 -4,-1.1 7,-0.6 -3,-0.5 8,-0.4 0.747 111.4 38.3 -65.4 -25.9 35.2 -48.1 3.5 182 89 B F T X< S+ 0 0 110 -3,-1.2 3,-1.4 -4,-0.5 -1,-0.2 0.073 76.4 118.1-115.7 22.3 32.8 -51.0 2.6 183 90 B F T < S+ 0 0 86 -3,-1.1 -1,-0.1 1,-0.3 -2,-0.1 0.884 82.6 45.6 -54.9 -41.6 29.5 -49.1 2.4 184 91 B E T 3 S- 0 0 64 2,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.525 123.2-105.0 -79.2 -7.9 29.2 -50.1 -1.3 185 92 B G S < S+ 0 0 43 -3,-1.4 149,-0.3 1,-0.2 148,-0.3 0.450 101.4 52.2 91.0 1.2 30.2 -53.7 -0.6 186 93 B F S S- 0 0 0 -5,-0.1 2,-1.7 147,-0.1 -2,-0.5 -0.949 106.3 -82.5-153.2 163.6 33.7 -53.1 -2.0 187 94 B P > + 0 0 1 0, 0.0 3,-0.9 0, 0.0 -5,-0.2 -0.538 52.6 164.7 -73.2 87.7 36.4 -50.6 -1.4 188 95 B D T 3 S+ 0 0 13 -2,-1.7 -6,-0.1 -7,-0.6 -7,-0.1 0.561 72.0 57.6 -80.7 -10.1 35.1 -47.8 -3.7 189 96 B K T 3 S+ 0 0 44 -8,-0.4 -1,-0.2 -3,-0.1 -7,-0.1 0.186 87.6 133.3-103.1 13.3 37.4 -45.2 -2.1 190 97 B Q < 0 0 51 -3,-0.9 156,-0.1 1,-0.2 157,-0.1 -0.957 360.0 360.0-122.0 134.7 40.5 -47.1 -3.0 191 98 B P 0 0 77 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.982 360.0 360.0 -69.5 360.0 43.1 -46.2 -4.3 192 !* 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 0.0 193 2 C A 0 0 138 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -35.9 42.4 -71.6 -6.3 194 3 C C > + 0 0 24 1,-0.1 4,-1.9 2,-0.0 3,-0.5 -0.771 360.0 177.3-122.8 85.3 43.5 -68.0 -6.4 195 4 C P H > S+ 0 0 64 0, 0.0 4,-2.4 0, 0.0 -1,-0.1 0.804 81.0 56.7 -55.7 -34.6 47.3 -67.7 -6.8 196 5 C L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.878 106.8 47.7 -69.7 -38.1 47.2 -63.9 -7.0 197 6 C E H > S+ 0 0 42 129,-0.5 4,-1.9 -3,-0.5 -1,-0.2 0.885 112.7 50.5 -66.5 -38.2 45.5 -63.6 -3.6 198 7 C K H X S+ 0 0 137 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.892 107.3 54.2 -62.7 -41.9 48.1 -66.0 -2.2 199 8 C A H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.890 107.1 50.8 -58.8 -42.3 50.8 -63.9 -3.7 200 9 C L H X S+ 0 0 3 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.892 107.4 53.1 -63.9 -40.5 49.4 -60.8 -1.9 201 10 C D H X S+ 0 0 82 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.866 108.4 50.7 -61.6 -37.1 49.4 -62.8 1.4 202 11 C V H X S+ 0 0 36 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.896 107.9 53.1 -66.8 -40.9 53.1 -63.6 0.8 203 12 C M H X S+ 0 0 3 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.917 113.6 43.0 -59.0 -44.4 53.8 -60.0 0.2 204 13 C V H X S+ 0 0 4 -4,-2.1 4,-1.6 2,-0.2 3,-0.2 0.947 116.3 45.7 -67.0 -50.7 52.2 -59.0 3.5 205 14 C S H X S+ 0 0 51 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.869 108.4 55.6 -65.2 -39.3 53.7 -61.9 5.6 206 15 C T H X S+ 0 0 7 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.863 105.0 54.3 -62.8 -36.7 57.2 -61.4 4.3 207 16 C F H >X S+ 0 0 1 -4,-1.2 4,-3.1 -5,-0.2 3,-1.1 0.961 111.9 42.8 -59.3 -52.2 57.2 -57.8 5.4 208 17 C H H 3X S+ 0 0 27 -4,-1.6 4,-1.4 1,-0.3 -2,-0.2 0.787 100.1 71.1 -67.7 -30.7 56.3 -58.6 9.0 209 18 C K H 3< S+ 0 0 103 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.804 120.0 17.7 -51.1 -32.0 58.7 -61.5 9.1 210 19 C Y H X< S+ 0 0 0 -3,-1.1 3,-1.5 -4,-0.7 4,-0.4 0.750 116.5 64.3-113.6 -36.3 61.4 -58.9 9.1 211 20 C S H 3< S+ 0 0 0 -4,-3.1 8,-0.5 1,-0.3 3,-0.4 0.781 100.3 56.8 -62.8 -27.8 59.8 -55.6 10.1 212 21 C G T 3< S+ 0 0 16 -4,-1.4 -1,-0.3 -5,-0.2 5,-0.1 0.426 85.9 81.3 -85.3 0.5 58.9 -56.9 13.6 213 22 C K S < S+ 0 0 101 -3,-1.5 2,-0.3 1,-0.2 -1,-0.2 0.846 98.9 20.0 -75.6 -36.4 62.5 -57.9 14.6 214 23 C E S S- 0 0 85 -3,-0.4 5,-0.2 -4,-0.4 -1,-0.2 -0.989 110.5 -36.9-140.5 143.7 63.8 -54.5 15.7 215 24 C G S S+ 0 0 71 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.092 118.9 32.1 50.5-135.1 62.3 -51.1 16.9 216 25 C D S > S- 0 0 59 1,-0.2 3,-1.1 2,-0.1 -2,-0.3 -0.349 72.6-153.3 -52.4 118.3 59.1 -50.1 15.1 217 26 C K T 3 S+ 0 0 117 1,-0.2 -1,-0.2 -5,-0.1 -4,-0.1 0.601 91.5 53.6 -75.5 -10.5 57.5 -53.5 14.3 218 27 C F T 3 S+ 0 0 80 -6,-0.1 45,-0.5 -7,-0.1 2,-0.3 0.242 104.7 60.7-108.8 9.5 55.7 -52.0 11.3 219 28 C K E < S-C 262 0C 50 -3,-1.1 2,-0.6 -8,-0.5 43,-0.2 -0.984 75.2-126.6-136.6 149.0 58.7 -50.6 9.6 220 29 C L E -C 261 0C 0 41,-3.0 41,-2.7 -2,-0.3 -9,-0.1 -0.849 23.8-162.6 -93.5 120.2 62.0 -52.0 8.1 221 30 C N > - 0 0 34 -2,-0.6 4,-2.8 39,-0.2 5,-0.2 -0.289 43.6 -84.1 -83.3-177.5 65.2 -50.5 9.4 222 31 C K H > S+ 0 0 50 37,-0.3 4,-2.4 1,-0.2 5,-0.1 0.922 129.4 46.6 -53.6 -50.2 68.5 -50.9 7.6 223 32 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1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.827 118.7 56.2 -63.0 -34.9 76.9 -51.1 2.7 244 53 C A H > S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 107.5 48.1 -64.5 -43.3 76.9 -48.7 -0.2 245 54 C A H > S+ 0 0 10 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.909 112.5 49.2 -62.9 -42.9 74.2 -50.6 -2.1 246 55 C F H X S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.838 109.9 50.5 -69.4 -33.4 72.1 -50.9 1.0 247 56 C Q H X S+ 0 0 90 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.912 112.1 47.6 -68.2 -41.9 72.3 -47.1 1.8 248 57 C K H X S+ 0 0 122 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.922 113.1 48.6 -63.4 -44.2 71.4 -46.3 -1.8 249 58 C L H X S+ 0 0 10 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.926 110.9 50.3 -61.5 -45.6 68.4 -48.7 -1.7 250 59 C M H X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.932 111.7 47.8 -57.3 -47.7 67.3 -47.3 1.7 251 60 C S H < S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.861 111.9 51.2 -61.7 -38.2 67.4 -43.7 0.3 252 61 C N H < S+ 0 0 96 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.869 118.2 36.4 -64.6 -39.2 65.5 -44.9 -2.8 253 62 C L H < S+ 0 0 19 -4,-2.1 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0.935 116.3 44.1 -63.2 -48.4 38.9 -59.5 -10.9 324 39 D T H <5S+ 0 0 71 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.847 125.9 31.1 -67.1 -38.4 36.2 -62.3 -10.9 325 40 D R H <5S+ 0 0 130 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.837 132.8 25.0 -90.6 -36.7 38.7 -65.2 -11.4 326 41 D E H <5S+ 0 0 7 -4,-2.7 -129,-0.5 -5,-0.4 -3,-0.2 0.731 132.3 26.9-106.0 -29.2 41.9 -64.0 -9.7 327 42 D L >X< + 0 0 1 -4,-1.1 3,-1.5 -5,-0.9 4,-0.7 -0.349 65.3 150.4-130.6 54.0 40.8 -61.5 -7.0 328 43 D P H 3> + 0 0 52 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.765 68.8 64.4 -63.1 -24.2 37.2 -62.5 -6.1 329 44 D S H 34 S+ 0 0 90 1,-0.2 4,-0.1 2,-0.2 -5,-0.1 0.749 92.5 64.8 -68.0 -27.0 37.6 -61.2 -2.6 330 45 D F H <4 S+ 0 0 12 -3,-1.5 -1,-0.2 -7,-0.2 -6,-0.1 0.980 118.6 16.9 -64.2 -61.1 38.1 -57.5 -3.7 331 46 D L H >< S+ 0 0 6 -4,-0.7 3,-2.4 1,-0.2 2,-0.3 0.764 85.5 176.5 -82.3 -26.2 34.7 -56.8 -5.3 332 47 D G T 3< S- 0 0 43 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.1 -0.432 75.5 -3.7 57.7-115.5 32.9 -59.8 -3.6 333 48 D K T 3 S+ 0 0 199 -148,-0.3 2,-1.8 -2,-0.3 -1,-0.3 0.555 113.1 96.0 -81.6 -10.0 29.3 -59.5 -4.7 334 49 D R < + 0 0 41 -3,-2.4 -1,-0.2 -149,-0.3 -2,-0.1 -0.449 36.5 129.2 -87.0 67.3 29.8 -56.2 -6.5 335 50 D T + 0 0 73 -2,-1.8 -1,-0.2 4,-0.1 -3,-0.1 0.201 38.8 119.1-103.3 13.1 30.2 -57.6 -10.1 336 51 D D S > S- 0 0 62 -3,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.261 80.2-105.6 -73.4 165.0 27.7 -55.2 -11.6 337 52 D E H > S+ 0 0 111 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.841 118.7 57.4 -62.6 -36.1 28.5 -52.7 -14.3 338 53 D A H > S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.929 108.0 47.0 -60.6 -45.6 28.4 -49.7 -11.8 339 54 D A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.890 112.8 49.2 -62.6 -42.0 31.1 -51.4 -9.7 340 55 D F H X S+ 0 0 6 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.834 110.2 50.4 -70.7 -32.3 33.3 -52.1 -12.6 341 56 D Q H X S+ 0 0 86 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.908 112.0 46.7 -70.5 -42.0 33.0 -48.6 -14.0 342 57 D K H X S+ 0 0 59 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.888 112.5 50.9 -67.9 -36.0 34.0 -47.0 -10.7 343 58 D L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.945 110.8 48.4 -62.2 -48.0 36.9 -49.5 -10.3 344 59 D M H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.920 112.8 48.2 -57.7 -45.6 38.1 -48.7 -13.8 345 60 D S H < S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.880 111.6 50.9 -61.2 -39.4 37.8 -44.9 -13.0 346 61 D N H < S+ 0 0 57 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.785 119.8 34.8 -66.9 -31.4 39.7 -45.5 -9.7 347 62 D L H < S+ 0 0 3 -4,-1.8 2,-2.0 -3,-0.2 -2,-0.2 0.748 96.5 83.1 -96.3 -30.3 42.5 -47.4 -11.4 348 63 D D >< + 0 0 13 -4,-2.8 3,-1.0 -5,-0.2 5,-0.2 -0.489 50.4 163.3 -81.6 74.3 42.8 -45.6 -14.7 349 64 D S T 3 S+ 0 0 86 -2,-2.0 -1,-0.2 1,-0.2 6,-0.1 0.799 73.6 47.8 -65.2 -32.9 45.0 -42.7 -13.5 350 65 D N T 3 S- 0 0 89 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.467 105.3-128.1 -90.0 -2.5 46.1 -41.6 -16.9 351 66 D R < + 0 0 217 -3,-1.0 -2,-0.1 -6,-0.1 -3,-0.0 0.798 67.7 130.0 62.9 36.3 42.5 -41.7 -18.3 352 67 D D S S- 0 0 44 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.212 78.8-112.0-100.4 13.8 43.2 -43.8 -21.4 353 68 D N S S+ 0 0 123 1,-0.2 2,-0.3 -5,-0.2 -37,-0.3 0.480 88.2 80.3 73.4 6.8 40.2 -46.1 -20.5 354 69 D E S S- 0 0 47 -39,-0.1 2,-0.7 -10,-0.0 -2,-0.4 -0.915 78.2-115.9-138.8 163.6 42.5 -49.1 -19.7 355 70 D V E -D 314 0D 1 -41,-2.6 -41,-2.9 -2,-0.3 -7,-0.1 -0.901 31.6-165.8-105.4 110.5 44.6 -50.4 -16.8 356 71 D D E > -D 313 0D 34 -2,-0.7 4,-2.1 -43,-0.2 5,-0.2 -0.260 39.8 -90.6 -84.2 179.8 48.3 -50.6 -17.7 357 72 D F H > S+ 0 0 9 -45,-0.6 4,-2.1 1,-0.2 5,-0.1 0.880 124.9 50.1 -63.3 -40.3 50.9 -52.5 -15.7 358 73 D Q H > S+ 0 0 87 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 112.1 47.9 -63.1 -43.6 51.9 -49.6 -13.4 359 74 D E H > S+ 0 0 3 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 110.0 53.5 -65.5 -35.7 48.2 -48.9 -12.6 360 75 D Y H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.875 106.9 51.6 -64.8 -40.1 47.7 -52.6 -11.9 361 76 D C H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.890 107.8 51.4 -65.0 -40.2 50.6 -52.5 -9.4 362 77 D V H X S+ 0 0 60 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.911 111.3 50.0 -60.2 -42.3 49.1 -49.5 -7.6 363 78 D F H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.946 111.9 45.1 -60.0 -52.8 45.9 -51.6 -7.4 364 79 D L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.882 110.5 55.6 -61.2 -38.9 47.6 -54.7 -6.0 365 80 D S H < S+ 0 0 24 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.884 106.0 51.4 -59.2 -40.2 49.5 -52.5 -3.6 366 81 D C H < S+ 0 0 21 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.878 110.1 48.7 -67.0 -37.9 46.2 -51.0 -2.3 367 82 D I H < 0 0 15 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.926 360.0 360.0 -64.9 -45.0 44.9 -54.6 -1.7 368 83 D A < 0 0 1 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.887 360.0 360.0 -57.6 360.0 48.1 -55.5 0.1 369 ! 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 0.0 370 85 D M > 0 0 59 0, 0.0 4,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -40.6 44.1 -53.5 3.2 371 86 D C T >4 + 0 0 45 -4,-2.5 3,-1.4 1,-0.2 -3,-0.2 0.880 360.0 62.0 -62.9 -40.0 45.3 -57.1 4.0 372 87 D N G >4 S+ 0 0 19 -4,-2.4 3,-1.2 1,-0.3 4,-0.3 0.821 95.8 60.5 -54.4 -35.8 48.1 -55.6 6.1 373 88 D E G 34 S+ 0 0 62 -3,-0.3 7,-0.6 1,-0.2 8,-0.4 0.747 110.9 39.4 -65.1 -25.8 45.4 -54.0 8.4 374 89 D F G X< S+ 0 0 101 -3,-1.4 3,-1.4 -4,-0.5 -1,-0.2 0.089 76.7 117.5-113.5 20.9 44.0 -57.5 9.2 375 90 D F T < S+ 0 0 87 -3,-1.2 -1,-0.1 1,-0.3 -2,-0.1 0.891 82.4 44.9 -54.0 -43.2 47.3 -59.4 9.5 376 91 D E T 3 S- 0 0 67 2,-0.5 -1,-0.3 -4,-0.3 -2,-0.1 0.505 123.0-104.2 -79.2 -6.4 46.6 -60.2 13.2 377 92 D G S < S+ 0 0 41 -3,-1.4 -235,-0.4 1,-0.2 -236,-0.3 0.457 101.7 53.3 90.3 1.1 43.0 -61.1 12.5 378 93 D F S S- 0 0 0 -5,-0.1 2,-1.6 -238,-0.1 -2,-0.5 -0.949 104.8 -84.8-154.1 163.4 41.8 -57.8 13.9 379 94 D P > + 0 0 2 0, 0.0 3,-0.8 0, 0.0 -5,-0.1 -0.564 52.5 163.2 -73.6 86.5 42.6 -54.1 13.3 380 95 D D T 3 S+ 0 0 11 -2,-1.6 -6,-0.1 -7,-0.6 -7,-0.1 0.529 71.7 61.1 -87.3 -7.8 45.7 -53.8 15.6 381 96 D K T 3 S+ 0 0 43 -8,-0.4 -1,-0.3 -3,-0.1 -7,-0.0 -0.179 89.7 136.7-101.0 25.3 46.7 -50.7 13.9 382 97 D Q < 0 0 50 -3,-0.8 -228,-0.1 -9,-0.1 -211,-0.1 -0.985 360.0 360.0-131.2 149.9 43.5 -48.9 14.9 383 98 D P 0 0 67 0, 0.0 -212,-0.1 0, 0.0 -1,-0.1 0.829 360.0 360.0 -80.9 360.0 42.8 -46.3 16.0