==== 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 BINDING PROTEIN 28-FEB-07 2EGD . COMPND 2 MOLECULE: PROTEIN S100-A13; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.L.IMAI,K.NAGATA,N.YONEZAWA,M.NAKANO,M.TANOKURA . 177 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9419.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 69.5 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 2.8 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 . 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 . 6 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 52.5 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 0 0 2 0 0 2 0 0 0 0 1 2 0 1 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 . 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 5 A P 0 0 160 0, 0.0 2,-0.2 0, 0.0 129,-0.0 0.000 360.0 360.0 360.0-158.1 -1.8 1.3 26.2 2 6 A L - 0 0 53 1,-0.1 126,-0.1 2,-0.1 125,-0.0 -0.572 360.0-115.7 -98.9 154.5 0.1 4.0 24.4 3 7 A T > - 0 0 25 124,-0.2 4,-2.8 -2,-0.2 5,-0.3 -0.184 39.5 -96.9 -74.2 174.1 2.2 3.7 21.2 4 8 A E H > S+ 0 0 60 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.919 127.8 44.5 -59.4 -42.9 6.0 4.4 21.2 5 9 A L H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.946 114.6 48.0 -68.4 -44.5 5.3 8.0 20.0 6 10 A E H > S+ 0 0 0 121,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.921 112.1 48.4 -64.6 -40.5 2.4 8.5 22.4 7 11 A E H X S+ 0 0 106 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.884 109.8 54.2 -68.1 -35.0 4.3 7.3 25.4 8 12 A S H X S+ 0 0 11 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.916 108.3 47.5 -65.7 -41.1 7.3 9.5 24.5 9 13 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.950 112.4 50.8 -63.2 -43.4 5.1 12.6 24.4 10 14 A E H X S+ 0 0 62 -4,-2.5 4,-3.3 1,-0.2 -2,-0.2 0.879 108.3 51.6 -61.4 -41.8 3.6 11.6 27.7 11 15 A T H X S+ 0 0 38 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.899 107.2 53.4 -60.0 -43.7 7.2 11.1 29.2 12 16 A V H X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.937 114.9 41.2 -57.9 -44.7 8.2 14.6 28.0 13 17 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 3,-0.4 0.933 112.9 52.7 -71.3 -47.1 5.2 16.1 29.8 14 18 A T H X S+ 0 0 29 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.813 101.8 60.9 -55.9 -33.4 5.5 13.9 32.9 15 19 A T H X S+ 0 0 15 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.904 100.7 54.7 -66.3 -38.5 9.2 15.0 33.4 16 20 A F H X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.4 -1,-0.2 0.969 112.3 42.1 -56.1 -51.4 8.1 18.6 33.8 17 21 A F H X S+ 0 0 6 -4,-1.4 4,-1.3 1,-0.2 -2,-0.2 0.853 109.2 58.8 -70.1 -33.5 5.7 17.8 36.6 18 22 A T H < S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.931 116.5 34.2 -56.5 -47.5 8.1 15.4 38.2 19 23 A F H >< S+ 0 0 18 -4,-2.2 3,-1.2 1,-0.2 4,-0.2 0.849 113.9 58.8 -74.8 -31.7 10.6 18.2 38.6 20 24 A A H 3< S+ 0 0 0 -4,-2.7 8,-0.5 1,-0.3 3,-0.4 0.656 96.9 61.4 -76.2 -17.6 8.2 21.1 39.1 21 25 A R T 3< S+ 0 0 136 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.1 0.448 78.9 88.5 -91.0 5.9 6.6 19.5 42.3 22 26 A Q S < S- 0 0 134 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.852 101.2 -3.5 -75.4 -32.3 9.8 19.5 44.3 23 27 A E S S- 0 0 79 -3,-0.4 -1,-0.2 2,-0.3 7,-0.2 -0.991 111.8 -6.0-156.4 157.6 9.4 23.0 45.8 24 28 A G S S+ 0 0 76 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.241 116.4 15.1 55.0-142.2 7.1 26.1 45.6 25 29 A R > - 0 0 95 1,-0.1 3,-1.1 2,-0.1 -2,-0.3 -0.350 68.5-143.5 -65.4 135.8 4.3 26.0 43.0 26 30 A K T 3 S+ 0 0 66 1,-0.2 -1,-0.1 -5,-0.1 -6,-0.1 0.588 95.9 57.7 -80.4 -7.0 3.8 22.5 41.7 27 31 A D T 3 S+ 0 0 59 -6,-0.1 42,-0.5 -7,-0.1 2,-0.3 0.171 104.6 55.1-108.2 14.2 3.0 23.7 38.1 28 32 A S E < S-A 68 0A 5 -3,-1.1 2,-0.6 -8,-0.5 40,-0.2 -0.999 74.5-122.9-148.1 152.2 6.3 25.5 37.6 29 33 A L E -A 67 0A 0 38,-2.7 38,-2.6 -2,-0.3 -9,-0.1 -0.828 21.5-155.1 -90.3 120.3 10.1 25.0 37.7 30 34 A S > - 0 0 13 -2,-0.6 4,-2.4 36,-0.2 5,-0.2 -0.359 42.3 -93.7 -73.2 173.1 12.1 27.3 40.0 31 35 A V H > S+ 0 0 47 34,-0.4 4,-2.6 1,-0.2 5,-0.2 0.894 128.7 51.5 -56.9 -40.2 15.8 27.7 39.1 32 36 A N H > S+ 0 0 88 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.901 111.4 46.2 -64.1 -42.2 16.8 24.8 41.4 33 37 A E H > S+ 0 0 5 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.859 112.7 50.5 -66.3 -38.0 14.2 22.5 39.8 34 38 A F H X S+ 0 0 2 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.926 110.0 50.5 -65.3 -44.8 15.3 23.6 36.3 35 39 A K H X S+ 0 0 67 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.903 111.3 48.8 -62.3 -38.9 18.9 22.9 37.2 36 40 A E H X S+ 0 0 95 -4,-2.0 4,-3.0 2,-0.2 5,-0.4 0.922 110.4 50.4 -63.5 -44.3 17.9 19.4 38.5 37 41 A L H X>S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.7 0.936 114.4 44.3 -61.9 -44.3 15.9 18.6 35.4 38 42 A V H X5S+ 0 0 8 -4,-2.6 4,-1.8 3,-0.2 -2,-0.2 0.958 117.1 43.5 -67.1 -47.5 18.8 19.6 33.2 39 43 A T H <5S+ 0 0 75 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.902 124.3 35.4 -67.3 -39.3 21.5 17.9 35.2 40 44 A Q H <5S+ 0 0 103 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.842 133.8 18.8 -79.2 -40.6 19.5 14.7 35.7 41 45 A Q H <5S+ 0 0 42 -4,-2.7 51,-0.5 -5,-0.4 -3,-0.2 0.570 127.9 38.3-117.4 -13.1 17.6 14.4 32.5 42 46 A L X< + 0 0 0 -4,-1.8 4,-2.0 -5,-0.7 -3,-0.1 -0.093 66.4 128.0-126.5 37.6 19.3 16.5 29.8 43 47 A P T 4 S+ 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.780 83.5 35.8 -68.7 -24.2 23.0 16.0 30.5 44 48 A H T >4 S+ 0 0 105 2,-0.1 3,-1.5 -3,-0.1 4,-0.3 0.897 117.9 45.5 -90.1 -54.0 23.7 15.0 26.9 45 49 A L T 34 S+ 0 0 48 1,-0.3 3,-0.2 -4,-0.1 -1,-0.1 0.796 124.7 37.0 -66.0 -24.6 21.4 17.2 24.8 46 50 A L T >< S+ 0 0 14 -4,-2.0 3,-2.0 -8,-0.2 -1,-0.3 0.115 78.8 119.8-111.3 25.3 22.4 20.2 26.9 47 51 A K T < S+ 0 0 83 -3,-1.5 3,-0.3 1,-0.3 -1,-0.1 0.839 82.2 40.0 -59.4 -32.3 26.1 19.3 27.4 48 52 A D T 3 S+ 0 0 153 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.136 82.3 109.5-103.0 20.2 27.2 22.6 25.7 49 53 A V < - 0 0 42 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.688 60.8-157.0 -74.6 -20.3 24.6 24.9 27.2 50 54 A G + 0 0 57 -3,-0.3 -1,-0.2 -4,-0.2 5,-0.1 -0.438 59.1 23.7 74.4-153.2 26.9 26.9 29.5 51 55 A S > - 0 0 62 1,-0.2 4,-2.1 -2,-0.1 5,-0.1 -0.191 58.3-160.1 -52.2 116.6 25.6 28.7 32.5 52 56 A L H > S+ 0 0 34 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.854 92.7 58.7 -66.7 -35.4 22.3 27.2 33.7 53 57 A D H > S+ 0 0 51 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 109.7 44.4 -60.5 -40.3 21.4 30.4 35.6 54 58 A E H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.897 111.4 52.2 -68.9 -41.4 21.6 32.3 32.3 55 59 A K H X S+ 0 0 28 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.912 107.0 53.5 -60.9 -42.1 19.7 29.7 30.4 56 60 A M H X S+ 0 0 11 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.966 109.6 48.6 -52.8 -51.4 16.9 29.9 33.0 57 61 A K H < S+ 0 0 101 -4,-1.7 3,-0.4 1,-0.2 -2,-0.2 0.932 110.8 51.0 -55.6 -44.1 16.8 33.7 32.4 58 62 A S H < S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.880 114.3 42.4 -64.9 -41.5 16.6 33.1 28.6 59 63 A L H < S+ 0 0 12 -4,-2.4 2,-2.0 1,-0.2 -1,-0.3 0.656 92.1 86.4 -77.1 -22.7 13.7 30.6 28.9 60 64 A D >< + 0 0 16 -4,-1.8 3,-1.7 -3,-0.4 -1,-0.2 -0.559 58.5 173.4 -81.4 77.0 11.8 32.7 31.5 61 65 A V T 3 S+ 0 0 82 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.610 73.0 44.1 -69.9 -17.0 10.1 34.7 28.8 62 66 A N T 3 S- 0 0 71 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.225 106.2-123.5-109.4 9.8 7.8 36.7 31.1 63 67 A Q S < S+ 0 0 165 -3,-1.7 -2,-0.1 -6,-0.2 -6,-0.1 0.869 70.3 128.6 59.6 46.0 10.4 37.4 33.7 64 68 A D S S- 0 0 67 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.320 76.2-114.6-114.0 5.1 8.7 35.8 36.7 65 69 A S S S+ 0 0 90 1,-0.2 -34,-0.4 -5,-0.1 2,-0.3 0.571 86.7 86.8 77.5 14.5 11.6 33.7 37.8 66 70 A E S S- 0 0 53 -36,-0.1 2,-0.6 -35,-0.1 -2,-0.3 -0.967 72.1-129.8-137.2 152.3 9.8 30.4 37.1 67 71 A L E -A 29 0A 1 -38,-2.6 -38,-2.7 -2,-0.3 2,-0.1 -0.928 23.5-162.6-105.3 114.6 9.4 28.2 34.0 68 72 A K E >> -A 28 0A 100 -2,-0.6 4,-2.0 -40,-0.2 3,-0.8 -0.312 42.6 -91.3 -80.0 172.4 5.7 27.2 33.4 69 73 A F H 3> S+ 0 0 14 -42,-0.5 4,-3.1 1,-0.3 5,-0.2 0.892 126.7 57.8 -58.5 -39.1 5.0 24.3 31.1 70 74 A N H 3> S+ 0 0 101 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.882 107.6 47.3 -57.2 -36.9 4.8 26.6 28.0 71 75 A E H <> S+ 0 0 1 -3,-0.8 4,-1.5 2,-0.2 -1,-0.2 0.877 112.2 48.5 -74.3 -39.6 8.3 27.8 28.7 72 76 A Y H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.910 107.8 56.6 -62.2 -41.9 9.7 24.2 29.2 73 77 A W H X S+ 0 0 37 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.875 101.8 55.8 -59.3 -38.5 7.9 23.2 26.0 74 78 A R H X S+ 0 0 92 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.908 107.9 49.4 -57.7 -45.7 9.9 26.0 24.1 75 79 A L H X S+ 0 0 2 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.931 108.7 51.7 -58.1 -47.9 13.1 24.4 25.4 76 80 A I H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.920 109.4 51.3 -56.5 -42.9 12.0 20.9 24.3 77 81 A G H X S+ 0 0 5 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.872 107.9 51.3 -61.7 -38.9 11.3 22.4 20.8 78 82 A E H X S+ 0 0 77 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.921 112.7 45.4 -62.9 -46.1 14.7 23.9 20.7 79 83 A L H X S+ 0 0 8 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.897 113.2 51.1 -61.8 -45.4 16.3 20.5 21.5 80 84 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.884 108.1 51.5 -55.7 -41.8 14.0 18.7 19.0 81 85 A K H X S+ 0 0 96 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.846 109.9 49.9 -75.5 -29.1 15.0 21.2 16.3 82 86 A E H >< S+ 0 0 107 -4,-1.6 3,-0.6 2,-0.2 4,-0.3 0.912 111.3 48.1 -68.5 -45.8 18.7 20.5 17.0 83 87 A I H >< S+ 0 0 34 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.881 105.0 60.6 -58.0 -42.8 18.2 16.7 16.9 84 88 A R H 3< S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.796 93.4 66.5 -53.7 -33.7 16.3 17.1 13.6 85 89 A K T << 0 0 95 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.643 360.0 360.0 -67.8 -18.5 19.4 18.6 12.0 86 90 A K < 0 0 128 -3,-1.8 -3,-0.0 -4,-0.3 -4,-0.0 -0.582 360.0 360.0 -80.7 360.0 21.3 15.3 12.3 87 !* 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 88 6 B L 0 0 109 0, 0.0 -46,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 145.2 20.5 8.6 26.9 89 7 B T > - 0 0 25 -48,-0.2 4,-2.9 1,-0.1 5,-0.3 -0.293 360.0 -97.4 -75.4 169.8 18.2 9.5 29.8 90 8 B E H > S+ 0 0 59 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.909 126.8 47.3 -53.3 -45.7 14.4 8.7 29.8 91 9 B L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.926 113.3 47.0 -64.3 -44.2 13.7 12.3 28.7 92 10 B E H > S+ 0 0 0 -51,-0.5 4,-2.7 1,-0.2 -2,-0.2 0.899 110.7 51.7 -67.2 -40.6 16.4 12.3 26.0 93 11 B E H X S+ 0 0 84 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.896 110.8 50.1 -59.7 -39.5 15.2 8.9 24.6 94 12 B S H X S+ 0 0 10 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.895 109.6 48.2 -70.3 -41.9 11.7 10.3 24.4 95 13 B I H X S+ 0 0 2 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.942 111.6 52.2 -65.5 -43.2 12.6 13.5 22.6 96 14 B E H X S+ 0 0 56 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.895 108.2 51.6 -59.2 -39.3 14.6 11.4 20.2 97 15 B T H X S+ 0 0 45 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.910 107.0 52.2 -61.8 -43.2 11.6 9.1 19.5 98 16 B V H X S+ 0 0 3 -4,-2.1 4,-1.1 2,-0.2 -1,-0.2 0.918 115.2 41.8 -59.5 -43.3 9.4 12.1 18.8 99 17 B V H X S+ 0 0 4 -4,-2.2 4,-1.2 1,-0.2 3,-0.3 0.949 114.4 49.5 -70.6 -50.5 11.8 13.4 16.2 100 18 B T H X S+ 0 0 52 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.829 101.7 62.9 -55.8 -39.1 12.7 10.0 14.7 101 19 B T H X S+ 0 0 13 -4,-2.5 4,-1.7 -5,-0.2 5,-0.3 0.928 100.2 55.0 -57.4 -43.2 9.0 9.0 14.2 102 20 B F H X S+ 0 0 0 -4,-1.1 4,-3.2 -3,-0.3 3,-0.3 0.955 110.9 42.8 -50.4 -52.8 8.5 12.0 11.9 103 21 B F H X S+ 0 0 58 -4,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.839 106.7 62.4 -68.2 -33.4 11.4 10.9 9.6 104 22 B T H < S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 116.3 30.7 -55.3 -43.7 10.3 7.3 9.7 105 23 B F H >< S+ 0 0 18 -4,-1.7 3,-1.2 -3,-0.3 4,-0.3 0.867 117.6 57.0 -84.6 -35.8 7.0 8.2 8.1 106 24 B A H 3< S+ 0 0 0 -4,-3.2 3,-0.5 -5,-0.3 8,-0.5 0.763 97.1 61.6 -66.9 -26.4 8.3 11.2 6.0 107 25 B R T 3< S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.541 81.4 88.6 -80.6 -2.1 11.0 9.3 4.1 108 26 B Q S < S- 0 0 126 -3,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.881 98.7 -7.8 -69.0 -41.7 8.4 6.9 2.4 109 27 B E S S- 0 0 84 -3,-0.5 7,-0.2 -4,-0.3 -1,-0.2 -0.978 109.5 -0.3-151.4 158.9 7.6 8.8 -0.7 110 28 B G S S+ 0 0 70 -2,-0.3 2,-0.1 -3,-0.1 5,-0.0 -0.190 118.7 15.4 63.7-149.0 8.1 12.2 -2.3 111 29 B R S > S- 0 0 123 1,-0.2 3,-1.1 2,-0.1 -2,-0.3 -0.428 74.2-144.6 -57.7 127.2 10.2 14.7 -0.4 112 30 B K T 3 S+ 0 0 103 1,-0.2 -1,-0.2 -2,-0.1 -4,-0.1 0.624 93.6 54.2 -75.5 -12.1 12.0 12.6 2.3 113 31 B D T 3 S+ 0 0 85 -6,-0.1 42,-0.5 -7,-0.1 2,-0.3 0.147 105.6 58.1-107.4 17.0 11.9 15.5 4.9 114 32 B S S < S- 0 0 0 -3,-1.1 2,-0.5 -8,-0.5 40,-0.2 -0.999 77.0-119.9-145.3 153.0 8.1 16.0 4.8 115 33 B L B -B 153 0B 0 38,-2.5 38,-2.5 -2,-0.3 2,-0.1 -0.774 20.9-152.6 -90.5 121.2 4.9 14.1 5.2 116 34 B S > - 0 0 16 -2,-0.5 4,-3.0 36,-0.2 5,-0.2 -0.361 41.4 -96.6 -71.1 171.5 2.5 13.9 2.3 117 35 B V H > S+ 0 0 46 34,-0.5 4,-2.5 1,-0.2 5,-0.2 0.902 128.8 53.2 -63.1 -34.3 -1.1 13.5 3.3 118 36 B N H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.930 111.5 44.2 -63.0 -44.6 -0.7 9.7 2.8 119 37 B E H > S+ 0 0 6 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.900 112.5 52.8 -67.2 -40.0 2.4 9.6 5.1 120 38 B F H X S+ 0 0 2 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.927 108.5 49.8 -58.7 -47.6 0.6 11.8 7.7 121 39 B K H X S+ 0 0 65 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.900 111.2 50.4 -61.2 -37.8 -2.5 9.4 7.7 122 40 B E H X S+ 0 0 69 -4,-1.9 4,-2.5 2,-0.2 5,-0.4 0.929 110.2 49.0 -64.8 -46.9 -0.1 6.5 8.2 123 41 B L H X>S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.8 0.929 113.9 45.6 -55.4 -48.7 1.6 8.3 11.1 124 42 B V H X5S+ 0 0 7 -4,-2.7 4,-1.8 3,-0.2 -2,-0.2 0.963 116.8 44.7 -60.8 -50.5 -1.7 9.1 12.8 125 43 B T H <5S+ 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.851 124.5 32.3 -63.3 -39.0 -3.2 5.6 12.3 126 44 B Q H <5S+ 0 0 106 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.844 135.7 19.4 -88.5 -37.5 -0.1 3.7 13.4 127 45 B Q H <5S+ 0 0 42 -4,-2.6 -121,-0.5 -5,-0.4 -3,-0.2 0.580 129.0 35.8-119.5 -13.1 1.5 6.1 16.0 128 46 B L X< + 0 0 0 -4,-1.8 4,-2.0 -5,-0.8 -3,-0.1 -0.105 69.4 128.0-127.1 37.9 -1.2 8.5 17.3 129 47 B P T 4 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.791 81.8 34.8 -71.4 -22.2 -4.3 6.3 17.3 130 48 B H T >4 S+ 0 0 99 2,-0.2 3,-1.4 -3,-0.1 4,-0.2 0.894 117.0 48.1 -95.5 -47.8 -5.2 7.2 20.9 131 49 B L T 34 S+ 0 0 53 1,-0.3 3,-0.2 -4,-0.1 -1,-0.1 0.791 123.6 36.0 -66.3 -26.1 -4.1 10.8 21.3 132 50 B L T >< S+ 0 0 13 -4,-2.0 3,-1.8 -8,-0.2 -1,-0.3 0.067 79.3 122.5-113.0 27.2 -5.9 11.6 18.0 133 51 B K T < S+ 0 0 75 -3,-1.4 3,-0.3 1,-0.3 -1,-0.1 0.820 81.8 38.7 -51.7 -37.8 -8.9 9.2 18.5 134 52 B D T 3 S+ 0 0 126 -4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.156 80.3 115.1-105.4 19.4 -11.4 12.1 18.2 135 53 B V < - 0 0 42 -3,-1.8 2,-0.2 1,-0.2 -1,-0.2 0.660 57.6-156.0 -71.3 -19.6 -9.7 14.1 15.4 136 54 B G + 0 0 62 -3,-0.3 2,-0.3 -4,-0.2 -1,-0.2 -0.576 62.8 22.5 79.5-140.1 -12.4 13.7 12.8 137 55 B S > - 0 0 59 -2,-0.2 4,-2.1 1,-0.2 5,-0.1 -0.420 60.2-160.0 -67.7 122.3 -11.4 14.1 9.2 138 56 B L H > S+ 0 0 37 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.830 93.5 57.3 -68.6 -29.4 -7.6 13.5 8.7 139 57 B D H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 108.6 45.1 -68.9 -41.0 -7.7 15.3 5.4 140 58 B E H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.895 112.4 51.8 -65.3 -39.4 -9.1 18.4 7.2 141 59 B K H X S+ 0 0 30 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.898 108.5 52.5 -60.4 -42.5 -6.5 18.0 10.1 142 60 B M H X S+ 0 0 13 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.954 109.6 48.2 -58.8 -50.2 -3.7 17.8 7.4 143 61 B K H < S+ 0 0 144 -4,-2.1 6,-0.2 1,-0.2 -2,-0.2 0.924 111.2 50.7 -55.8 -46.0 -5.0 21.1 5.8 144 62 B S H < S+ 0 0 82 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 114.4 43.5 -64.7 -34.0 -5.1 22.8 9.3 145 63 B L H < S+ 0 0 13 -4,-2.2 2,-1.9 1,-0.2 -1,-0.2 0.730 94.3 82.3 -81.6 -20.2 -1.5 21.7 10.1 146 64 B D >< + 0 0 14 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 -0.568 58.8 171.8 -90.2 76.3 -0.2 22.6 6.6 147 65 B V T 3 S+ 0 0 109 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.747 74.2 44.2 -68.1 -24.2 0.2 26.2 7.5 148 66 B N T 3 S- 0 0 96 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.249 103.7-128.4-104.2 13.5 2.0 27.2 4.3 149 67 B Q < + 0 0 129 -3,-1.7 -2,-0.1 -6,-0.2 -6,-0.1 0.827 65.6 132.8 48.2 41.7 -0.4 25.2 2.0 150 68 B D S S- 0 0 39 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.347 76.3-114.1-100.8 7.8 2.4 23.3 0.2 151 69 B S S S+ 0 0 86 1,-0.2 -34,-0.5 -5,-0.1 2,-0.3 0.573 88.3 91.0 72.7 15.7 0.6 19.9 0.6 152 70 B E S S- 0 0 30 -36,-0.1 2,-0.7 -35,-0.1 -2,-0.4 -0.959 71.0-134.7-134.6 149.9 3.4 18.6 2.9 153 71 B L B -B 115 0B 2 -38,-2.5 -38,-2.5 -2,-0.3 -7,-0.1 -0.922 24.5-165.6-105.5 109.0 4.0 18.7 6.6 154 72 B K >> - 0 0 68 -2,-0.7 4,-2.2 -40,-0.2 3,-0.7 -0.299 42.4 -89.7 -78.9 173.9 7.7 19.7 7.3 155 73 B F H 3> S+ 0 0 11 -42,-0.5 4,-3.1 1,-0.2 5,-0.2 0.876 126.2 56.7 -58.2 -42.2 9.1 19.1 10.8 156 74 B N H 3> S+ 0 0 87 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.884 109.1 48.0 -51.6 -43.0 8.0 22.5 12.2 157 75 B E H <> S+ 0 0 6 -3,-0.7 4,-1.4 2,-0.2 -2,-0.2 0.887 112.2 47.9 -70.7 -40.2 4.4 21.7 11.2 158 76 B Y H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 108.0 56.3 -62.5 -39.8 4.6 18.2 12.8 159 77 B W H X S+ 0 0 18 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.869 101.4 56.3 -63.6 -35.1 6.1 19.8 15.9 160 78 B R H X S+ 0 0 62 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.896 107.5 50.4 -62.8 -37.7 3.0 22.1 16.2 161 79 B L H X S+ 0 0 2 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.951 108.7 50.1 -62.6 -48.2 0.9 18.9 16.2 162 80 B I H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.894 109.5 52.6 -58.7 -39.1 3.1 17.4 19.0 163 81 B G H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.883 107.2 51.6 -60.6 -42.5 2.7 20.6 21.0 164 82 B E H X S+ 0 0 72 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.911 113.6 44.9 -56.9 -45.2 -1.2 20.4 20.6 165 83 B L H X S+ 0 0 8 -4,-2.2 4,-2.1 1,-0.2 3,-0.4 0.923 110.6 53.8 -69.1 -43.1 -1.1 16.8 21.9 166 84 B A H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.877 104.3 55.8 -59.0 -39.2 1.4 17.7 24.7 167 85 B K H X S+ 0 0 86 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.855 106.6 49.9 -64.2 -32.0 -1.0 20.5 25.9 168 86 B E H X S+ 0 0 118 -4,-1.2 4,-1.1 -3,-0.4 -1,-0.2 0.902 111.1 49.1 -74.9 -37.1 -3.8 18.0 26.3 169 87 B I H >X S+ 0 0 16 -4,-2.1 4,-1.5 1,-0.2 3,-0.6 0.904 105.4 58.9 -63.1 -39.0 -1.6 15.7 28.2 170 88 B R H 3X S+ 0 0 78 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.860 99.7 56.5 -57.9 -39.4 -0.5 18.6 30.4 171 89 B K H 3< S+ 0 0 70 -4,-1.4 3,-0.5 1,-0.2 -1,-0.2 0.877 110.0 45.3 -59.0 -37.2 -4.1 19.1 31.4 172 90 B K H << S+ 0 0 89 -4,-1.1 3,-0.5 -3,-0.6 -1,-0.2 0.714 110.3 52.8 -79.9 -24.5 -4.3 15.5 32.7 173 91 B K H < S+ 0 0 73 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.492 118.3 37.7 -90.2 -2.8 -1.0 15.6 34.5 174 92 B D S < S- 0 0 49 -4,-0.6 -1,-0.2 -3,-0.5 -2,-0.1 -0.426 83.8-175.6-142.2 60.0 -2.1 18.8 36.4 175 93 B L - 0 0 129 -3,-0.5 2,-0.4 1,-0.1 -3,-0.1 -0.357 20.4-134.8 -67.7 136.1 -5.9 18.3 37.2 176 94 B K - 0 0 76 1,-0.2 -1,-0.1 -5,-0.1 -2,-0.0 -0.731 8.1-161.1 -84.9 136.1 -7.9 21.1 38.8 177 95 B I 0 0 159 -2,-0.4 -1,-0.2 1,-0.1 -2,-0.0 0.919 360.0 360.0 -81.2 -47.4 -10.1 19.9 41.7 178 96 B R 0 0 267 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.087 360.0 360.0 47.5 360.0 -12.2 23.1 41.5