==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-NOV-11 2LLS . COMPND 2 MOLECULE: PROTEIN S100-A1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.BUDZINSKA,L.JAREMKO,M.JAREMKO,K.ZDANOWSKI,I.ZHUKOV,A.BIERZ . 186 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9184.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 77.4 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 61.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 2 0 0 1 0 2 1 0 0 0 0 0 0 0 2 2 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 . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 96 0, 0.0 134,-0.1 0, 0.0 133,-0.0 0.000 360.0 360.0 360.0 34.4 -10.8 6.5 11.3 2 2 A S > - 0 0 19 132,-0.3 4,-4.2 1,-0.1 5,-0.2 -0.239 360.0-110.5 -67.2 159.0 -9.9 2.9 10.8 3 3 A E H > S+ 0 0 106 2,-0.2 4,-5.2 1,-0.2 5,-0.2 0.949 123.7 47.6 -57.6 -43.7 -6.3 1.7 11.6 4 4 A L H > S+ 0 0 0 2,-0.2 4,-4.6 1,-0.2 5,-0.4 0.938 112.1 49.4 -61.2 -44.2 -5.9 1.2 7.9 5 5 A E H > S+ 0 0 6 129,-0.5 4,-2.9 2,-0.2 -2,-0.2 0.957 117.0 41.1 -61.8 -45.9 -7.4 4.6 7.2 6 6 A T H X S+ 0 0 70 -4,-4.2 4,-3.1 2,-0.2 -2,-0.2 0.957 118.7 46.3 -64.3 -49.0 -5.1 6.1 9.8 7 7 A A H X S+ 0 0 6 -4,-5.2 4,-2.5 -5,-0.2 -2,-0.2 0.942 115.4 45.8 -59.3 -48.8 -2.1 3.9 8.6 8 8 A M H X S+ 0 0 0 -4,-4.6 4,-2.4 -5,-0.2 -1,-0.2 0.932 114.3 48.3 -64.4 -40.6 -2.8 4.7 5.0 9 9 A E H X S+ 0 0 80 -4,-2.9 4,-3.5 -5,-0.4 -1,-0.2 0.895 107.1 56.7 -65.1 -36.8 -3.3 8.4 5.8 10 10 A T H X S+ 0 0 39 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.955 107.6 47.8 -59.5 -42.1 -0.1 8.3 7.7 11 11 A L H X S+ 0 0 0 -4,-2.5 4,-3.7 1,-0.2 -2,-0.2 0.915 111.8 51.3 -61.7 -40.5 1.6 7.0 4.5 12 12 A I H X S+ 0 0 4 -4,-2.4 4,-4.9 2,-0.2 5,-0.3 0.912 107.2 52.5 -62.0 -43.7 -0.2 9.9 2.8 13 13 A N H X S+ 0 0 105 -4,-3.5 4,-3.0 2,-0.2 -2,-0.2 0.955 114.9 41.2 -60.7 -45.5 1.2 12.4 5.3 14 14 A V H X S+ 0 0 18 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.940 116.9 48.8 -65.1 -45.4 4.7 11.1 4.7 15 15 A F H X S+ 0 0 0 -4,-3.7 4,-4.1 -5,-0.2 5,-0.2 0.962 113.5 46.9 -59.3 -47.6 4.0 11.0 1.0 16 16 A H H X S+ 0 0 62 -4,-4.9 4,-2.9 2,-0.2 -1,-0.2 0.904 109.7 55.0 -58.4 -42.6 2.6 14.5 1.2 17 17 A A H X S+ 0 0 57 -4,-3.0 4,-1.6 -5,-0.3 -1,-0.2 0.954 115.1 38.1 -56.8 -50.2 5.6 15.5 3.2 18 18 A H H X S+ 0 0 24 -4,-3.0 4,-4.0 2,-0.2 5,-0.3 0.899 111.8 57.6 -69.2 -40.7 7.9 14.2 0.5 19 19 A S H X S+ 0 0 1 -4,-4.1 4,-3.5 1,-0.3 5,-0.3 0.931 106.4 51.5 -57.5 -39.2 5.7 15.4 -2.4 20 20 A G H < S+ 0 0 58 -4,-2.9 -1,-0.3 -5,-0.2 -2,-0.2 0.935 113.2 44.9 -60.2 -43.1 6.1 18.8 -0.9 21 21 A K H < S+ 0 0 158 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.920 113.7 47.9 -67.1 -44.3 9.8 18.3 -0.9 22 22 A E H < S- 0 0 34 -4,-4.0 -2,-0.2 5,-0.2 -1,-0.2 0.919 112.1-124.7 -66.8 -35.5 9.9 16.9 -4.4 23 23 A G < + 0 0 58 -4,-3.5 -3,-0.1 1,-0.4 -4,-0.1 0.079 66.7 122.9 119.2 -23.5 7.7 19.8 -5.5 24 24 A D S S- 0 0 55 -5,-0.3 -1,-0.4 3,-0.3 3,-0.4 -0.393 70.0-123.5 -69.6 150.6 4.7 18.1 -7.1 25 25 A K S S- 0 0 145 1,-0.2 -1,-0.1 -3,-0.1 -5,-0.1 0.910 103.8 -9.8 -60.3 -34.8 1.3 18.9 -5.8 26 26 A Y S S+ 0 0 30 -7,-0.1 2,-0.3 -6,-0.0 -1,-0.2 -0.384 109.7 87.1-168.1 90.7 1.1 15.2 -5.4 27 27 A K - 0 0 34 -3,-0.4 2,-0.5 -12,-0.2 -3,-0.3 -0.924 60.1-125.6-164.4 165.7 3.7 12.9 -6.8 28 28 A L B -A 69 0A 0 41,-2.7 41,-4.4 -2,-0.3 2,-0.2 -0.984 17.3-145.5-124.7 125.5 7.0 11.7 -5.5 29 29 A S >> - 0 0 14 -2,-0.5 4,-1.8 39,-0.2 3,-1.5 -0.528 29.1-114.2 -82.0 157.5 10.2 12.1 -7.5 30 30 A K H 3> S+ 0 0 29 37,-0.4 4,-1.0 1,-0.3 5,-0.2 0.584 111.8 79.3 -65.7 -5.9 12.9 9.4 -7.3 31 31 A K H 34 S+ 0 0 141 1,-0.2 4,-0.5 2,-0.1 -1,-0.3 0.903 107.7 23.0 -63.2 -46.0 14.8 12.1 -5.7 32 32 A E H <> S+ 0 0 31 -3,-1.5 4,-5.3 2,-0.1 5,-0.3 0.726 109.8 74.3 -89.0 -38.0 13.0 11.5 -2.4 33 33 A L H X S+ 0 0 10 -4,-1.8 4,-4.1 2,-0.2 5,-0.3 0.910 99.6 43.2 -57.0 -45.2 11.8 8.0 -2.8 34 34 A K H X S+ 0 0 110 -4,-1.0 4,-2.2 2,-0.2 5,-0.3 0.947 121.8 41.2 -64.6 -44.7 15.2 6.3 -2.3 35 35 A E H > S+ 0 0 101 -4,-0.5 4,-2.4 -5,-0.2 5,-0.2 0.948 120.3 45.5 -65.0 -46.5 15.9 8.7 0.6 36 36 A L H X>S+ 0 0 0 -4,-5.3 4,-3.3 2,-0.2 5,-0.5 0.928 114.0 46.3 -62.1 -51.5 12.3 8.3 1.8 37 37 A L H X5S+ 0 0 7 -4,-4.1 4,-1.9 -5,-0.3 8,-0.2 0.953 118.7 40.3 -64.0 -46.1 12.1 4.6 1.5 38 38 A Q H <5S+ 0 0 88 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.866 122.7 43.4 -66.7 -39.2 15.4 3.9 3.1 39 39 A T H ><5S+ 0 0 72 -4,-2.4 3,-1.4 -5,-0.3 -2,-0.2 0.973 117.8 39.9 -70.6 -60.2 14.8 6.5 5.7 40 40 A E H 3<5S+ 0 0 28 -4,-3.3 56,-0.8 1,-0.3 59,-0.5 0.867 122.4 42.8 -62.9 -36.8 11.2 5.9 6.6 41 41 A L T 3X S+ 0 0 57 -3,-1.4 4,-4.2 1,-0.2 5,-0.2 0.928 74.8 43.5 -57.9 -44.6 14.9 2.3 8.4 43 43 A G H > S+ 0 0 29 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.927 118.3 44.4 -66.7 -43.6 13.9 -0.6 10.7 44 44 A F H > S+ 0 0 5 2,-0.2 4,-0.8 1,-0.2 -2,-0.2 0.954 118.7 44.6 -64.3 -45.9 12.4 -2.6 7.9 45 45 A L H >< S+ 0 0 28 -4,-4.4 3,-1.4 2,-0.2 -2,-0.2 0.942 113.5 49.3 -62.0 -47.1 15.4 -1.8 5.8 46 46 A D H >< S+ 0 0 99 -4,-4.2 3,-0.7 -5,-0.3 -1,-0.2 0.883 107.5 56.1 -62.1 -36.8 17.8 -2.5 8.7 47 47 A A H 3< S+ 0 0 52 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.704 127.9 16.8 -63.4 -25.0 16.0 -5.8 9.2 48 48 A Q T << S+ 0 0 2 -3,-1.4 3,-0.5 -4,-0.8 6,-0.3 -0.065 75.0 131.2-147.8 46.6 16.7 -6.7 5.6 49 49 A K S < S+ 0 0 122 -3,-0.7 -3,-0.1 1,-0.2 6,-0.1 0.893 85.7 43.0 -62.8 -44.1 19.4 -4.5 4.0 50 50 A D S S+ 0 0 159 -4,-0.2 -1,-0.2 -5,-0.1 2,-0.1 0.514 88.6 114.3 -82.0 -8.7 21.2 -7.6 2.7 51 51 A V >> - 0 0 41 -3,-0.5 4,-0.8 -6,-0.2 3,-0.6 -0.439 69.2-134.7 -68.2 136.0 18.1 -9.2 1.5 52 52 A D H 3> S+ 0 0 91 1,-0.2 4,-2.1 2,-0.2 3,-0.4 0.833 99.5 69.1 -60.0 -36.3 17.9 -9.6 -2.3 53 53 A A H 3> S+ 0 0 29 1,-0.2 4,-4.5 2,-0.2 5,-0.3 0.898 93.7 56.0 -52.8 -42.5 14.3 -8.4 -2.3 54 54 A V H <> S+ 0 0 8 -3,-0.6 4,-3.9 -6,-0.3 5,-0.3 0.907 106.7 50.8 -60.3 -38.3 15.4 -4.9 -1.3 55 55 A D H X S+ 0 0 91 -4,-0.8 4,-3.3 -3,-0.4 -1,-0.2 0.972 119.0 35.8 -60.7 -54.3 17.7 -4.7 -4.3 56 56 A K H X S+ 0 0 100 -4,-2.1 4,-4.5 2,-0.2 5,-0.2 0.923 120.1 49.0 -65.8 -42.4 15.1 -5.8 -6.7 57 57 A V H X S+ 0 0 21 -4,-4.5 4,-0.7 -5,-0.3 -2,-0.2 0.942 114.7 46.2 -63.3 -45.1 12.4 -3.9 -4.8 58 58 A M H < S+ 0 0 98 -4,-3.9 3,-0.4 -5,-0.3 -2,-0.2 0.924 121.4 37.4 -61.1 -48.6 14.6 -0.9 -4.8 59 59 A K H >< S+ 0 0 115 -4,-3.3 3,-4.5 -5,-0.3 4,-0.5 0.904 102.4 68.6 -72.3 -44.7 15.4 -1.2 -8.5 60 60 A E H >< S+ 0 0 103 -4,-4.5 3,-0.6 1,-0.3 4,-0.5 0.723 92.1 65.0 -52.1 -18.2 12.1 -2.4 -9.8 61 61 A L T 3< S+ 0 0 16 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.599 79.7 81.1 -80.8 -7.7 10.9 1.1 -9.0 62 62 A D T X S+ 0 0 83 -3,-4.5 3,-2.6 1,-0.2 -1,-0.2 0.913 86.2 58.3 -62.0 -35.8 13.3 2.4 -11.7 63 63 A E G X S+ 0 0 134 -3,-0.6 3,-0.9 -4,-0.5 -1,-0.2 0.910 104.0 50.3 -59.5 -36.0 10.6 1.4 -14.1 64 64 A N G > S+ 0 0 62 -4,-0.5 3,-0.5 1,-0.3 -1,-0.3 0.400 88.9 84.0 -84.1 9.8 8.4 3.8 -12.1 65 65 A G G < + 0 0 32 -3,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.230 56.6 108.5 -89.0 13.0 11.3 6.2 -12.6 66 66 A D G < S- 0 0 156 -3,-0.9 -1,-0.2 2,-0.2 -2,-0.1 0.939 111.8 -36.7 -56.0 -44.3 9.6 6.8 -15.9 67 67 A G S < S- 0 0 43 -3,-0.5 -37,-0.4 1,-0.5 2,-0.3 0.347 116.5 -28.4-140.7 -69.5 8.6 10.2 -14.5 68 68 A E - 0 0 83 -39,-0.1 -1,-0.5 -38,-0.1 2,-0.4 -0.846 50.5-120.1-143.6-179.1 7.8 10.0 -10.8 69 69 A V B -A 28 0A 0 -41,-4.4 -41,-2.7 -2,-0.3 2,-0.1 -0.953 32.6-176.8-126.6 136.1 6.5 7.7 -8.2 70 70 A D > - 0 0 21 -2,-0.4 4,-5.0 -43,-0.2 5,-0.2 -0.430 47.5 -67.7-122.8-161.6 3.3 8.4 -6.2 71 71 A F H > S+ 0 0 0 2,-0.2 4,-3.6 1,-0.2 5,-0.3 0.944 132.9 47.6 -59.0 -44.6 1.2 7.0 -3.4 72 72 A Q H > S+ 0 0 80 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.928 121.1 37.6 -61.1 -44.9 0.2 4.1 -5.5 73 73 A E H > S+ 0 0 27 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.883 118.6 51.6 -69.7 -42.1 3.8 3.5 -6.5 74 74 A Y H X S+ 0 0 0 -4,-5.0 4,-2.3 2,-0.2 5,-0.3 0.904 106.0 51.9 -62.7 -47.9 5.0 4.4 -3.0 75 75 A V H X S+ 0 0 0 -4,-3.6 4,-3.3 -5,-0.2 5,-0.2 0.914 109.7 48.6 -61.7 -42.9 2.8 2.1 -1.0 76 76 A V H X S+ 0 0 41 -4,-1.2 4,-4.0 -5,-0.3 -1,-0.2 0.913 109.5 54.1 -63.5 -39.3 3.7 -1.0 -3.0 77 77 A L H X S+ 0 0 2 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.953 115.5 37.3 -62.1 -48.0 7.4 -0.2 -2.6 78 78 A V H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.935 119.3 49.8 -68.7 -41.8 7.2 0.1 1.1 79 79 A A H X S+ 0 0 0 -4,-3.3 4,-3.9 -5,-0.3 5,-0.3 0.891 106.4 56.2 -62.4 -40.0 4.7 -2.8 1.2 80 80 A A H X S+ 0 0 7 -4,-4.0 4,-2.7 1,-0.2 -1,-0.2 0.956 112.9 40.9 -57.9 -47.4 7.0 -4.9 -1.0 81 81 A L H X S+ 0 0 1 -4,-2.0 4,-3.9 -5,-0.2 5,-0.3 0.894 113.8 55.6 -63.6 -40.9 9.8 -4.4 1.6 82 82 A T H X S+ 0 0 0 -4,-3.0 4,-5.0 2,-0.2 5,-0.4 0.966 110.8 42.2 -60.1 -50.2 7.2 -4.9 4.3 83 83 A V H X S+ 0 0 18 -4,-3.9 4,-2.7 2,-0.2 -2,-0.2 0.940 116.4 50.1 -62.8 -42.6 6.1 -8.3 3.0 84 84 A A H X S+ 0 0 18 -4,-2.7 4,-0.7 -5,-0.3 -2,-0.2 0.944 121.4 33.9 -58.4 -50.9 9.8 -9.2 2.3 85 85 A M H >X S+ 0 0 17 -4,-3.9 3,-1.0 2,-0.2 4,-1.0 0.934 119.5 50.1 -70.9 -46.9 10.8 -8.1 5.8 86 86 A N H 3X S+ 0 0 5 -4,-5.0 4,-2.4 -5,-0.3 5,-0.2 0.801 95.5 72.8 -66.9 -21.7 7.5 -9.3 7.5 87 87 A N H 3X S+ 0 0 39 -4,-2.7 4,-3.0 -5,-0.4 5,-0.4 0.931 97.1 50.3 -56.5 -38.6 7.9 -12.6 5.7 88 88 A F H - 0 0 30 -56,-0.8 4,-3.9 -57,-0.1 5,-0.2 -0.034 360.0 -89.2 -70.6 177.9 9.0 4.4 11.9 97 3 B E H > S+ 0 0 125 1,-0.2 4,-4.5 2,-0.2 5,-0.2 0.923 132.4 50.5 -57.6 -41.0 5.3 5.3 12.0 98 4 B L H > S+ 0 0 2 2,-0.3 4,-4.6 1,-0.2 -1,-0.2 0.935 110.3 48.7 -62.1 -43.5 5.1 4.1 8.4 99 5 B E H > S+ 0 0 2 -59,-0.5 4,-3.6 2,-0.2 -2,-0.2 0.959 114.8 45.1 -63.0 -42.6 6.8 0.9 9.4 100 6 B T H X S+ 0 0 68 -4,-3.9 4,-3.4 2,-0.2 -2,-0.3 0.941 114.4 49.4 -61.5 -46.3 4.4 0.7 12.3 101 7 B A H X S+ 0 0 5 -4,-4.5 4,-2.8 2,-0.2 -2,-0.2 0.944 112.1 47.7 -58.3 -47.1 1.6 1.6 9.8 102 8 B M H X S+ 0 0 0 -4,-4.6 4,-3.1 2,-0.2 -2,-0.2 0.935 112.0 49.1 -63.6 -40.7 2.8 -1.0 7.4 103 9 B E H X S+ 0 0 56 -4,-3.6 4,-4.0 2,-0.2 5,-0.2 0.928 108.7 54.3 -62.7 -38.7 3.0 -3.5 10.3 104 10 B T H X S+ 0 0 39 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.946 109.4 47.0 -58.9 -43.2 -0.5 -2.4 11.2 105 11 B L H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 -2,-0.2 0.915 113.4 49.1 -62.4 -42.1 -1.4 -3.2 7.6 106 12 B I H X S+ 0 0 4 -4,-3.1 4,-4.5 2,-0.2 5,-0.3 0.917 109.8 51.2 -63.0 -44.6 0.4 -6.5 8.0 107 13 B N H X S+ 0 0 100 -4,-4.0 4,-3.2 2,-0.2 -2,-0.2 0.936 113.6 44.4 -61.6 -42.7 -1.4 -7.2 11.2 108 14 B V H X S+ 0 0 11 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.938 114.2 49.7 -64.9 -44.9 -4.7 -6.6 9.5 109 15 B F H >X S+ 0 0 2 -4,-3.4 4,-2.5 1,-0.2 3,-0.9 0.964 115.6 43.4 -58.1 -47.5 -3.6 -8.6 6.6 110 16 B H H 3X S+ 0 0 49 -4,-4.5 4,-2.5 1,-0.3 5,-0.3 0.881 103.9 65.3 -64.0 -37.6 -2.6 -11.4 9.0 111 17 B A H 3< S+ 0 0 42 -4,-3.2 4,-0.5 -5,-0.3 -1,-0.3 0.821 111.9 36.3 -53.6 -34.3 -5.8 -10.8 10.9 112 18 B H H S+ 0 0 1 -4,-2.5 4,-3.3 1,-0.3 5,-3.0 0.909 104.4 50.6 -54.9 -40.1 -5.0 -14.7 6.7 114 20 B G H <5S+ 0 0 56 -4,-2.5 -1,-0.3 3,-0.2 -2,-0.2 0.871 107.6 53.3 -63.6 -38.2 -5.9 -16.4 9.9 115 21 B K H 45S+ 0 0 126 -4,-0.5 -2,-0.2 -3,-0.3 -1,-0.2 0.948 115.6 38.0 -64.3 -48.7 -9.6 -16.2 9.0 116 22 B E H <5S- 0 0 44 -4,-2.5 -2,-0.2 5,-0.2 -1,-0.2 0.918 121.8-108.5 -69.7 -40.4 -9.2 -17.8 5.6 117 23 B G T <5S+ 0 0 64 -4,-3.3 2,-0.3 -5,-0.3 -3,-0.2 0.737 70.8 125.4 113.5 47.9 -6.6 -20.2 7.0 118 24 B D < - 0 0 47 -5,-3.0 3,-0.4 3,-0.2 -1,-0.3 -0.970 62.7-130.2-131.3 149.4 -3.2 -19.2 5.7 119 25 B K S S- 0 0 138 -2,-0.3 -1,-0.1 1,-0.2 -5,-0.1 0.942 104.1 -9.4 -61.9 -39.8 0.1 -18.4 7.4 120 26 B Y S S+ 0 0 39 -7,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.510 103.4 97.1-162.4 93.8 0.2 -15.3 5.3 121 27 B K - 0 0 62 -3,-0.4 2,-0.4 -12,-0.2 -3,-0.2 -0.969 47.1-142.8-163.6 158.7 -2.2 -14.7 2.5 122 28 B L E -B 163 0B 0 41,-2.4 41,-5.5 -2,-0.3 2,-0.2 -0.969 16.5-155.8-126.0 136.6 -5.4 -12.9 1.8 123 29 B S E > -B 162 0B 21 -2,-0.4 4,-1.9 39,-0.3 39,-0.2 -0.637 36.1-102.0-106.3 167.6 -8.1 -14.4 -0.5 124 30 B K H > S+ 0 0 17 37,-1.4 4,-0.7 -2,-0.2 5,-0.1 0.511 115.4 67.1 -66.9 -3.3 -10.8 -12.5 -2.4 125 31 B K H > S+ 0 0 129 2,-0.2 4,-1.1 3,-0.1 3,-0.3 0.963 110.4 25.7 -81.9 -60.8 -13.2 -13.6 0.4 126 32 B E H > S+ 0 0 42 1,-0.2 4,-5.0 2,-0.2 5,-0.2 0.836 116.4 68.3 -65.8 -36.0 -12.0 -11.7 3.4 127 33 B L H X S+ 0 0 6 -4,-1.9 4,-3.7 2,-0.2 5,-0.3 0.888 97.6 47.7 -56.8 -44.4 -10.5 -9.0 1.2 128 34 B K H X S+ 0 0 105 -4,-0.7 4,-2.0 -3,-0.3 -1,-0.2 0.949 121.5 37.5 -62.6 -45.6 -13.8 -7.7 -0.1 129 35 B E H X S+ 0 0 101 -4,-1.1 4,-2.9 2,-0.2 -2,-0.2 0.920 118.6 50.8 -70.0 -43.0 -15.1 -7.5 3.5 130 36 B L H X S+ 0 0 0 -4,-5.0 4,-3.4 2,-0.2 5,-0.4 0.920 109.3 49.9 -60.6 -47.5 -11.8 -6.4 4.8 131 37 B L H X S+ 0 0 8 -4,-3.7 4,-2.5 -5,-0.2 -2,-0.2 0.956 116.9 40.2 -62.8 -46.0 -11.4 -3.7 2.3 132 38 B Q H < S+ 0 0 95 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.872 116.5 52.7 -65.8 -40.1 -14.8 -2.3 3.0 133 39 B T H >< S+ 0 0 72 -4,-2.9 3,-0.8 -5,-0.2 -2,-0.2 0.949 117.7 33.9 -62.3 -52.3 -14.3 -2.9 6.7 134 40 B E H 3< S+ 0 0 20 -4,-3.4 -129,-0.5 1,-0.2 3,-0.4 0.911 122.8 45.0 -71.9 -43.9 -11.0 -1.1 7.0 135 41 B L T 3X S+ 0 0 0 -4,-2.5 4,-4.7 -5,-0.4 5,-0.3 -0.115 70.2 135.8 -95.4 40.2 -11.7 1.6 4.5 136 42 B S H <> S+ 0 0 59 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.884 76.9 45.2 -52.6 -42.0 -15.2 2.3 5.8 137 43 B G H > S+ 0 0 36 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.938 118.8 40.4 -68.8 -47.1 -14.4 6.0 5.5 138 44 B F H > S+ 0 0 2 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.895 114.8 53.9 -68.3 -40.6 -12.9 5.8 2.1 139 45 B L H < S+ 0 0 51 -4,-4.7 -2,-0.2 1,-0.2 -1,-0.2 0.936 112.1 42.4 -60.2 -48.6 -15.4 3.3 0.9 140 46 B D H >< S+ 0 0 95 -4,-2.1 3,-0.8 -5,-0.3 -1,-0.2 0.842 111.3 55.5 -67.4 -38.3 -18.3 5.5 1.9 141 47 B A H 3< S+ 0 0 58 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.880 119.6 28.9 -65.2 -41.5 -16.8 8.7 0.6 142 48 B Q T 3< S+ 0 0 2 -4,-1.9 6,-0.3 1,-0.2 -1,-0.2 -0.287 76.6 129.1-117.5 48.6 -16.2 7.5 -3.0 143 49 B K S < S+ 0 0 131 -3,-0.8 -1,-0.2 1,-0.2 -2,-0.1 0.882 83.7 37.0 -64.7 -43.6 -19.0 4.9 -3.4 144 50 B D S S+ 0 0 143 -3,-0.2 2,-0.2 -4,-0.2 -1,-0.2 0.400 93.8 113.1 -91.9 -1.8 -20.2 6.4 -6.7 145 51 B V >> - 0 0 34 -3,-0.2 4,-0.8 1,-0.1 3,-0.7 -0.537 67.9-136.8 -76.9 136.8 -16.7 7.2 -7.8 146 52 B D H 3> S+ 0 0 88 -2,-0.2 4,-2.3 1,-0.2 3,-0.4 0.859 96.8 69.7 -58.7 -42.0 -15.4 5.2 -10.8 147 53 B A H 3> S+ 0 0 28 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.847 93.0 56.7 -49.7 -40.9 -12.0 4.6 -9.3 148 54 B V H <> S+ 0 0 17 -3,-0.7 4,-4.0 -6,-0.3 -1,-0.2 0.952 109.6 45.9 -60.6 -42.8 -13.4 2.3 -6.7 149 55 B D H X S+ 0 0 78 -4,-0.8 4,-4.7 -3,-0.4 5,-0.3 0.904 112.5 50.4 -60.8 -46.6 -14.9 0.1 -9.4 150 56 B K H X S+ 0 0 107 -4,-2.3 4,-3.6 2,-0.2 -2,-0.2 0.954 116.2 40.7 -63.5 -43.5 -11.7 0.2 -11.3 151 57 B V H X S+ 0 0 13 -4,-3.4 4,-3.8 2,-0.2 5,-0.3 0.927 116.4 50.9 -66.0 -43.1 -9.7 -0.8 -8.3 152 58 B M H X S+ 0 0 92 -4,-4.0 4,-2.1 -5,-0.3 -2,-0.2 0.955 115.9 42.1 -59.9 -46.0 -12.4 -3.3 -7.4 153 59 B K H X S+ 0 0 85 -4,-4.7 4,-3.4 2,-0.3 -2,-0.2 0.908 111.0 55.1 -65.3 -42.4 -12.2 -4.6 -10.9 154 60 B E H X S+ 0 0 105 -4,-3.6 4,-3.1 -5,-0.3 -2,-0.2 0.958 111.3 44.9 -60.2 -41.5 -8.5 -4.4 -10.8 155 61 B L H < S+ 0 0 7 -4,-3.8 -1,-0.3 2,-0.2 -2,-0.3 0.863 109.6 56.4 -65.3 -33.9 -8.6 -6.5 -7.7 156 62 B D H >< S+ 0 0 71 -4,-2.1 3,-1.5 -5,-0.3 -2,-0.3 0.911 105.7 50.1 -63.0 -38.1 -11.2 -8.6 -9.6 157 63 B E H 3< S+ 0 0 144 -4,-3.4 2,-1.0 1,-0.3 3,-0.4 0.982 112.0 46.3 -62.7 -44.4 -8.5 -9.0 -12.2 158 64 B N T 3< S+ 0 0 45 -4,-3.1 -1,-0.3 1,-0.3 3,-0.2 -0.121 89.2 102.7 -82.0 36.1 -6.3 -10.0 -9.3 159 65 B G < + 0 0 30 -3,-1.5 -1,-0.3 -2,-1.0 -2,-0.1 0.056 36.7 112.8-107.9 21.0 -9.3 -12.1 -8.4 160 66 B D S S- 0 0 158 -3,-0.4 -1,-0.1 2,-0.2 -2,-0.1 0.922 98.8 -71.9 -60.5 -43.1 -7.7 -15.3 -9.6 161 67 B G S S+ 0 0 34 1,-0.4 -37,-1.4 -3,-0.2 2,-0.3 -0.143 103.9 40.5-171.9 -83.5 -7.6 -16.6 -6.1 162 68 B E E -B 123 0B 97 -39,-0.2 -1,-0.4 -38,-0.1 2,-0.4 -0.648 53.6-157.5 -91.2 152.3 -5.2 -15.3 -3.5 163 69 B V E -B 122 0B 0 -41,-5.5 -41,-2.4 -2,-0.3 2,-0.1 -0.985 16.0-152.0-127.5 128.0 -4.3 -11.7 -2.8 164 70 B D > - 0 0 33 -2,-0.4 4,-3.8 -43,-0.2 5,-0.2 -0.286 33.8 -90.7 -94.6-176.8 -1.0 -11.0 -1.0 165 71 B F H > S+ 0 0 1 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.937 128.2 47.2 -61.4 -45.4 0.2 -8.1 1.2 166 72 B Q H > S+ 0 0 66 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.925 117.1 44.2 -62.0 -41.6 1.6 -6.2 -1.8 167 73 B E H > S+ 0 0 57 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.900 114.8 51.0 -67.2 -41.1 -1.7 -6.8 -3.6 168 74 B Y H X S+ 0 0 0 -4,-3.8 4,-1.9 1,-0.2 5,-0.2 0.912 108.0 50.2 -61.8 -48.4 -3.6 -6.0 -0.4 169 75 B V H X S+ 0 0 0 -4,-3.4 4,-3.8 1,-0.2 -1,-0.2 0.893 107.6 53.1 -63.5 -39.6 -1.9 -2.7 0.2 170 76 B V H X S+ 0 0 34 -4,-1.6 4,-4.6 -5,-0.2 5,-0.3 0.905 105.9 55.1 -64.1 -36.7 -2.4 -1.4 -3.3 171 77 B L H X S+ 0 0 2 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.957 116.7 35.5 -60.9 -49.1 -6.1 -2.1 -3.0 172 78 B V H X S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.924 120.8 49.9 -69.7 -41.2 -6.4 0.0 0.1 173 79 B A H X S+ 0 0 0 -4,-3.8 4,-4.2 -5,-0.2 5,-0.3 0.934 109.6 49.6 -61.4 -49.5 -3.8 2.5 -1.2 174 80 B A H X S+ 0 0 3 -4,-4.6 4,-3.4 1,-0.2 -1,-0.2 0.947 116.4 42.4 -58.1 -46.8 -5.5 2.9 -4.6 175 81 B L H X S+ 0 0 1 -4,-2.0 4,-2.4 -5,-0.3 5,-0.4 0.913 115.1 51.6 -63.4 -42.0 -8.8 3.5 -2.9 176 82 B T H X S+ 0 0 0 -4,-3.3 4,-3.6 1,-0.2 -2,-0.2 0.971 116.3 39.0 -61.1 -51.3 -7.0 5.7 -0.3 177 83 B V H X S+ 0 0 6 -4,-4.2 4,-4.9 2,-0.2 5,-0.3 0.900 110.4 60.8 -64.2 -42.4 -5.3 7.8 -3.0 178 84 B A H X S+ 0 0 14 -4,-3.4 4,-1.1 -5,-0.3 -1,-0.2 0.955 118.6 28.4 -51.5 -53.7 -8.4 7.8 -5.2 179 85 B M H X S+ 0 0 17 -4,-2.4 4,-1.8 2,-0.2 3,-0.2 0.913 121.9 53.3 -70.6 -45.8 -10.4 9.5 -2.5 180 86 B N H X S+ 0 0 16 -4,-3.6 4,-2.5 -5,-0.4 -3,-0.2 0.894 101.2 60.5 -61.5 -35.6 -7.4 11.3 -1.0 181 87 B N H X S+ 0 0 40 -4,-4.9 4,-3.1 1,-0.3 5,-0.3 0.935 104.3 49.8 -57.7 -39.9 -6.5 12.7 -4.4 182 88 B F H X S+ 0 0 97 -4,-1.1 4,-4.9 -5,-0.3 -1,-0.3 0.912 106.9 56.2 -63.6 -37.0 -9.9 14.4 -4.3 183 89 B F H < S+ 0 0 114 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.884 110.7 43.6 -60.7 -39.8 -8.9 15.6 -0.8 184 90 B W H < S+ 0 0 38 -4,-2.5 -2,-0.2 -5,-0.1 -1,-0.2 0.943 123.6 36.0 -67.1 -51.1 -5.8 17.2 -2.3 185 91 B E H < S+ 0 0 100 -4,-3.1 2,-0.9 1,-0.3 -2,-0.2 0.955 124.7 42.9 -70.7 -46.1 -7.7 18.6 -5.3 186 92 B N < 0 0 130 -4,-4.9 -1,-0.3 -5,-0.3 0, 0.0 -0.851 360.0 360.0-100.5 99.7 -10.8 19.3 -3.3 187 93 B S 0 0 153 -2,-0.9 -3,-0.1 -3,-0.2 -2,-0.0 -0.610 360.0 360.0-131.5 360.0 -9.4 20.8 -0.1