==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL-BINDING PROTEIN 13-JAN-11 2Y5I . COMPND 2 MOLECULE: S100 CALCIUM BINDING PROTEIN Z; . SOURCE 2 ORGANISM_SCIENTIFIC: DANIO RERIO; . AUTHOR O.V.MOROZ,I.B.BRONSTEIN,K.S.WILSON . 584 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 79.1 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 . 18 3.1 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 . 22 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 351 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 0 0 0 12 0 0 0 0 0 6 0 0 0 0 0 0 0 0 3 3 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 6 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 . 6 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 3 A S > 0 0 76 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 151.3 37.6 14.4 -9.7 2 4 A K H > + 0 0 103 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.927 360.0 51.5 -62.2 -39.5 39.7 14.9 -6.6 3 5 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 111.4 44.2 -63.9 -45.5 39.0 18.6 -6.5 4 6 A E H > S+ 0 0 33 133,-0.4 4,-3.2 1,-0.2 5,-0.2 0.898 109.5 58.0 -75.5 -32.9 35.2 18.4 -6.8 5 7 A G H X S+ 0 0 37 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.948 108.1 47.2 -49.5 -47.3 35.3 15.6 -4.2 6 8 A A H X S+ 0 0 4 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.900 111.7 49.9 -63.8 -42.3 37.0 18.1 -1.9 7 9 A M H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.917 109.3 51.2 -60.9 -48.7 34.4 20.8 -2.7 8 10 A D H X S+ 0 0 74 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.897 108.7 53.0 -53.2 -45.2 31.6 18.3 -2.0 9 11 A A H X S+ 0 0 11 -4,-2.1 4,-2.9 -5,-0.2 -1,-0.2 0.858 105.0 53.4 -61.5 -38.9 33.3 17.5 1.4 10 12 A L H X S+ 0 0 5 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.927 112.8 45.2 -62.1 -44.1 33.5 21.2 2.4 11 13 A I H X S+ 0 0 6 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.914 114.1 48.1 -64.0 -47.9 29.8 21.5 1.7 12 14 A T H X S+ 0 0 15 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.926 110.1 52.0 -58.7 -46.4 28.9 18.3 3.6 13 15 A V H X S+ 0 0 0 -4,-2.9 4,-0.9 2,-0.2 3,-0.5 0.961 110.1 48.9 -57.2 -52.9 31.0 19.2 6.6 14 16 A F H >X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.3 3,-1.3 0.926 114.1 44.7 -51.9 -49.5 29.3 22.5 6.9 15 17 A H H 3X S+ 0 0 9 -4,-2.2 4,-0.6 1,-0.3 -1,-0.3 0.719 100.6 69.0 -75.4 -22.2 25.8 21.0 6.7 16 18 A N H 3< S+ 0 0 65 -4,-2.0 -1,-0.3 -3,-0.5 -2,-0.2 0.807 117.8 22.5 -58.6 -30.1 26.8 18.2 9.1 17 19 A Y H X< S+ 0 0 28 -3,-1.3 3,-0.7 -4,-0.9 -2,-0.2 0.608 110.9 69.6-110.9 -22.4 26.9 20.9 11.9 18 20 A S H 3< S+ 0 0 0 -4,-1.9 8,-0.5 1,-0.2 3,-0.4 0.638 89.8 64.1 -79.4 -14.2 24.7 23.9 10.7 19 21 A G T 3< S+ 0 0 45 -4,-0.6 -1,-0.2 1,-0.2 5,-0.1 0.213 72.9 88.4 -98.6 13.3 21.4 22.1 10.9 20 22 A S S < S- 0 0 84 -3,-0.7 2,-0.3 1,-0.2 -1,-0.2 0.857 101.2 -7.5 -76.0 -34.4 21.1 21.4 14.7 21 23 A E S S+ 0 0 111 -3,-0.4 -1,-0.2 2,-0.3 5,-0.2 -0.986 108.7 3.1-157.9 164.7 19.5 24.7 15.5 22 24 A G S S+ 0 0 70 -2,-0.3 5,-0.0 -3,-0.1 6,-0.0 -0.146 116.1 16.4 53.3-151.6 18.4 28.1 14.2 23 25 A D S > S- 0 0 76 1,-0.2 3,-1.2 2,-0.1 -2,-0.3 -0.276 71.7-142.5 -49.4 129.5 19.0 28.6 10.5 24 26 A K T 3 S+ 0 0 95 1,-0.3 -1,-0.2 -5,-0.1 -6,-0.1 0.741 99.2 46.0 -68.5 -23.8 19.6 25.3 8.9 25 27 A Y T 3 S+ 0 0 24 -6,-0.1 45,-0.5 2,-0.0 2,-0.3 0.137 105.1 67.1-112.3 16.9 22.3 26.8 6.6 26 28 A K E < S-A 69 0A 53 -3,-1.2 2,-0.6 -8,-0.5 43,-0.2 -0.992 76.6-121.7-132.5 152.5 24.2 28.9 9.1 27 29 A L E -A 68 0A 0 41,-2.9 41,-2.5 -2,-0.3 -9,-0.1 -0.773 18.5-150.8 -91.8 124.3 26.4 28.0 12.1 28 30 A S > - 0 0 13 -2,-0.6 4,-2.7 39,-0.2 5,-0.2 -0.371 39.6 -98.5 -72.1 166.7 25.6 29.2 15.5 29 31 A K H > S+ 0 0 73 37,-0.4 4,-2.5 1,-0.2 5,-0.2 0.898 128.1 51.2 -50.9 -43.5 28.5 29.8 17.9 30 32 A G H > S+ 0 0 43 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 111.5 45.0 -63.6 -45.2 27.6 26.3 19.4 31 33 A E H > S+ 0 0 2 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.900 113.3 50.8 -65.8 -42.5 27.6 24.6 16.0 32 34 A L H X S+ 0 0 0 -4,-2.7 4,-3.3 2,-0.2 -2,-0.2 0.930 110.2 50.2 -56.8 -46.7 30.8 26.4 15.1 33 35 A K H X S+ 0 0 66 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.927 110.9 50.1 -60.1 -43.9 32.4 25.2 18.4 34 36 A E H X S+ 0 0 96 -4,-2.4 4,-2.2 1,-0.2 5,-0.2 0.950 112.5 45.4 -59.9 -51.7 31.3 21.7 17.6 35 37 A L H X>S+ 0 0 0 -4,-2.8 4,-3.0 2,-0.2 5,-0.6 0.915 112.9 50.8 -58.6 -48.0 32.7 21.8 14.1 36 38 A L H X5S+ 0 0 5 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.933 112.3 47.4 -55.8 -44.3 36.0 23.3 15.4 37 39 A N H <5S+ 0 0 43 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.841 122.1 33.2 -71.1 -34.2 36.4 20.7 18.0 38 40 A A H <5S+ 0 0 53 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.773 131.4 28.2 -91.8 -26.8 35.6 17.7 15.8 39 41 A E H <5S+ 0 0 16 -4,-3.0 63,-0.4 -5,-0.2 -3,-0.2 0.712 130.3 28.8-111.4 -26.0 37.1 18.9 12.5 40 42 A L S >X4> + 0 0 48 1,-0.3 5,-3.0 2,-0.2 3,-0.6 0.792 67.9 61.8 -59.7 -32.5 41.1 20.0 16.7 42 44 A D G >45S+ 0 0 86 1,-0.2 3,-1.8 3,-0.2 -1,-0.3 0.883 99.0 56.6 -61.9 -35.9 44.8 20.1 15.7 43 45 A F G <45S+ 0 0 76 -3,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.772 108.4 47.9 -66.0 -24.9 44.5 23.9 15.3 44 46 A L G X<5S- 0 0 8 -4,-0.8 3,-2.6 -3,-0.6 -1,-0.3 0.189 116.3-118.6 -94.3 14.6 43.3 24.0 18.9 45 47 A M T < 5 - 0 0 146 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.842 64.7 -69.9 46.6 40.0 46.2 21.7 19.9 46 48 A S T 3 + 0 0 60 -2,-0.6 4,-2.1 1,-0.1 5,-0.1 -0.614 11.4 165.8-139.9 73.4 39.7 26.8 24.0 50 52 A P H > S+ 0 0 71 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.844 80.9 53.6 -58.7 -41.2 36.4 28.7 24.4 51 53 A M H > S+ 0 0 163 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.898 110.0 49.2 -63.8 -35.2 38.0 32.2 24.4 52 54 A L H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 110.1 50.6 -68.5 -40.4 39.7 31.3 21.1 53 55 A V H X S+ 0 0 2 -4,-2.1 4,-3.5 2,-0.2 -2,-0.2 0.903 106.6 55.3 -59.0 -44.1 36.4 30.1 19.7 54 56 A E H X S+ 0 0 73 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.906 110.0 45.7 -53.7 -46.3 34.8 33.4 20.7 55 57 A K H X S+ 0 0 113 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.868 112.1 50.9 -69.2 -36.9 37.4 35.2 18.8 56 58 A I H X S+ 0 0 31 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.959 110.8 49.6 -63.7 -48.8 37.0 32.9 15.8 57 59 A M H X S+ 0 0 4 -4,-3.5 4,-2.5 1,-0.2 -2,-0.2 0.942 112.9 47.3 -49.9 -54.1 33.2 33.5 15.9 58 60 A N H < S+ 0 0 106 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.849 114.0 46.1 -59.2 -40.4 33.8 37.3 16.0 59 61 A D H < S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.859 117.0 44.1 -72.3 -37.8 36.3 37.3 13.2 60 62 A L H < S+ 0 0 15 -4,-2.7 2,-2.1 1,-0.2 3,-0.2 0.814 95.3 76.5 -78.2 -33.3 34.2 35.1 10.9 61 63 A D >< + 0 0 14 -4,-2.5 3,-1.1 -5,-0.3 -1,-0.2 -0.478 57.2 162.9 -79.1 73.0 30.8 36.8 11.5 62 64 A S T 3 S+ 0 0 89 -2,-2.1 -1,-0.2 1,-0.3 6,-0.1 0.761 71.9 46.5 -63.8 -32.1 31.5 39.8 9.3 63 65 A N T 3 S- 0 0 91 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.406 104.9-127.9 -96.6 2.8 27.9 40.9 8.9 64 66 A K < + 0 0 173 -3,-1.1 -2,-0.1 3,-0.1 -3,-0.1 0.846 65.3 133.5 63.8 37.7 27.2 40.6 12.6 65 67 A D S S- 0 0 53 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.267 78.5-110.9 -97.2 11.8 24.1 38.4 12.4 66 68 A N S S+ 0 0 113 1,-0.2 -37,-0.4 -5,-0.2 2,-0.3 0.670 88.7 92.6 63.5 23.4 25.5 36.2 15.2 67 69 A E S S- 0 0 36 -39,-0.1 2,-0.7 -10,-0.1 -2,-0.4 -0.950 71.7-132.2-137.1 160.0 25.9 33.3 12.7 68 70 A V E -A 27 0A 0 -41,-2.5 -41,-2.9 -2,-0.3 -7,-0.1 -0.930 31.9-164.0-109.9 102.1 28.6 32.0 10.4 69 71 A D E > -A 26 0A 38 -2,-0.7 4,-2.5 -43,-0.2 5,-0.2 -0.140 37.1 -91.7 -76.0-178.8 27.0 31.4 7.0 70 72 A F H > S+ 0 0 8 -45,-0.5 4,-2.6 1,-0.2 5,-0.2 0.920 126.5 50.5 -66.5 -39.6 28.6 29.3 4.3 71 73 A N H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.926 113.2 48.1 -60.4 -42.7 30.5 32.2 2.6 72 74 A E H > S+ 0 0 10 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.852 110.1 51.2 -66.6 -37.6 31.8 33.1 6.0 73 75 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 3,-0.2 0.879 106.2 55.6 -63.8 -42.2 32.8 29.5 6.7 74 76 A V H X S+ 0 0 7 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.840 99.1 60.5 -64.2 -32.1 34.7 29.3 3.4 75 77 A V H X S+ 0 0 81 -4,-1.5 4,-2.5 2,-0.2 -1,-0.2 0.926 107.4 46.7 -55.7 -46.3 36.7 32.3 4.5 76 78 A L H X S+ 0 0 17 -4,-1.2 4,-2.5 -3,-0.2 5,-0.2 0.943 113.0 47.1 -57.4 -53.8 37.9 30.2 7.4 77 79 A V H X S+ 0 0 4 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.898 113.2 49.2 -60.4 -40.7 38.7 27.2 5.3 78 80 A A H X S+ 0 0 22 -4,-2.9 4,-2.7 2,-0.2 5,-0.3 0.944 111.7 48.5 -64.6 -49.1 40.5 29.3 2.6 79 81 A A H X S+ 0 0 57 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.931 115.1 43.9 -58.9 -45.5 42.6 31.1 5.3 80 82 A L H X S+ 0 0 34 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.877 114.4 49.9 -71.1 -34.8 43.7 27.8 7.0 81 83 A T H X S+ 0 0 0 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.951 111.8 46.9 -65.8 -50.4 44.4 26.0 3.8 82 84 A V H X S+ 0 0 22 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.927 112.4 51.4 -51.7 -47.2 46.5 28.8 2.4 83 85 A A H X S+ 0 0 54 -4,-2.3 4,-2.2 -5,-0.3 -2,-0.2 0.941 113.2 44.7 -61.3 -44.3 48.4 28.9 5.8 84 86 A C H X S+ 0 0 34 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.889 113.4 49.8 -63.6 -43.8 49.0 25.1 5.7 85 87 A N H X S+ 0 0 1 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.951 111.3 49.4 -57.0 -49.9 50.1 25.3 2.0 86 88 A D H X S+ 0 0 74 -4,-2.9 4,-2.5 -5,-0.2 -2,-0.2 0.902 109.8 52.8 -57.7 -44.0 52.5 28.1 2.9 87 89 A F H X S+ 0 0 114 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.930 110.6 45.5 -56.5 -49.7 53.8 26.0 5.8 88 90 A F H X S+ 0 0 109 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.936 113.2 50.5 -65.4 -41.1 54.6 23.0 3.6 89 91 A Q H X S+ 0 0 19 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.907 111.5 47.2 -61.6 -42.7 56.2 25.2 1.0 90 92 A E H X S+ 0 0 102 -4,-2.5 4,-3.4 1,-0.2 5,-0.2 0.904 107.9 56.0 -72.8 -36.9 58.4 27.0 3.5 91 93 A Q H X S+ 0 0 93 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.907 111.7 43.9 -58.1 -42.4 59.4 23.7 5.0 92 94 A Q H X S+ 0 0 100 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.940 113.6 50.1 -66.4 -46.1 60.6 22.6 1.5 93 95 A K H < S+ 0 0 93 -4,-2.7 3,-0.3 1,-0.2 4,-0.2 0.931 110.0 51.3 -56.5 -49.1 62.3 25.9 0.8 94 96 A K H >< S+ 0 0 154 -4,-3.4 3,-1.3 1,-0.2 -1,-0.2 0.901 109.6 51.4 -53.5 -44.8 64.1 25.7 4.2 95 97 A R H 3< S+ 0 0 218 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.843 101.1 59.9 -62.5 -39.0 65.3 22.2 3.3 96 98 A S T 3< 0 0 103 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.408 360.0 360.0 -76.2 6.2 66.7 23.1 -0.1 97 99 A K < 0 0 170 -3,-1.3 -1,-0.2 -4,-0.2 -3,-0.1 -0.403 360.0 360.0 -86.4 360.0 69.2 25.6 1.6 98 !* 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 99 3 B S > 0 0 72 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 148.5 38.9 14.7 9.9 100 4 B K H > + 0 0 110 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.930 360.0 51.0 -54.0 -46.5 36.7 15.0 6.8 101 5 B L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.933 112.0 44.2 -59.0 -49.9 37.4 18.8 6.7 102 6 B E H > S+ 0 0 32 -63,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.871 109.5 57.8 -69.7 -34.2 41.2 18.5 6.9 103 7 B G H X S+ 0 0 38 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.934 108.8 46.6 -54.1 -43.2 41.0 15.6 4.3 104 8 B A H X S+ 0 0 4 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.909 111.5 50.2 -67.3 -41.5 39.3 18.1 2.0 105 9 B M H X S+ 0 0 6 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.912 110.0 50.7 -63.7 -43.6 41.9 20.8 2.7 106 10 B D H X S+ 0 0 91 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.889 108.0 54.2 -54.4 -43.2 44.7 18.4 2.1 107 11 B A H X S+ 0 0 10 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.888 104.9 53.4 -64.7 -37.6 43.0 17.5 -1.3 108 12 B L H X S+ 0 0 5 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.912 112.0 44.6 -64.1 -42.3 43.0 21.1 -2.3 109 13 B I H X S+ 0 0 19 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.935 114.0 48.9 -64.6 -49.8 46.7 21.4 -1.7 110 14 B T H X S+ 0 0 56 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.924 110.3 51.7 -60.2 -43.6 47.5 18.1 -3.4 111 15 B V H X S+ 0 0 0 -4,-2.8 4,-0.8 2,-0.2 3,-0.3 0.962 111.5 46.5 -60.3 -49.9 45.4 19.0 -6.5 112 16 B F H >X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.3 3,-1.4 0.944 115.2 45.4 -59.0 -48.3 47.1 22.4 -6.9 113 17 B H H 3X S+ 0 0 54 -4,-2.5 4,-0.6 1,-0.3 -1,-0.3 0.724 101.0 69.3 -69.7 -20.0 50.5 20.8 -6.5 114 18 B N H 3< S+ 0 0 98 -4,-2.0 -1,-0.3 -3,-0.3 -2,-0.2 0.808 117.1 22.1 -61.9 -25.7 49.5 18.0 -8.9 115 19 B Y H X< S+ 0 0 44 -3,-1.4 3,-0.8 -4,-0.8 -2,-0.2 0.616 109.9 72.1-117.5 -17.2 49.5 20.6 -11.8 116 20 B S H 3< S+ 0 0 0 -4,-1.8 8,-0.5 1,-0.2 3,-0.4 0.615 86.5 65.7 -81.5 -13.6 51.8 23.4 -10.6 117 21 B G T 3< S+ 0 0 44 -4,-0.6 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113.0 48.7 -62.4 -42.5 28.0 28.8 -5.9 182 86 B C H X S+ 0 0 18 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.899 111.3 48.9 -66.6 -41.1 27.5 25.0 -5.7 183 87 B N H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.916 109.8 51.9 -63.6 -43.6 26.3 25.2 -2.1 184 88 B D H X S+ 0 0 78 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.867 109.2 52.2 -56.7 -39.7 23.9 28.0 -3.0 185 89 B F H X S+ 0 0 24 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.939 109.8 46.8 -64.1 -48.0 22.6 25.7 -5.8 186 90 B F H X S+ 0 0 20 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.912 113.4 48.7 -65.5 -37.9 22.0 22.8 -3.5 187 91 B Q H X S+ 0 0 20 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.913 111.7 48.9 -67.8 -43.1 20.2 25.0 -0.9 188 92 B E H X S+ 0 0 67 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.905 107.6 55.1 -68.1 -36.4 18.0 26.7 -3.6 189 93 B Q H X S+ 0 0 41 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.910 111.3 45.4 -59.3 -40.5 17.1 23.3 -4.9 190 94 B Q H X S+ 0 0 26 -4,-1.8 4,-1.3 2,-0.2 3,-0.3 0.968 113.3 48.4 -64.3 -52.4 15.9 22.3 -1.4 191 95 B K H >< S+ 0 0 134 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.932 111.0 51.4 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H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.911 110.6 48.9 -66.2 -44.2 23.5 9.8 -17.7 203 9 C M H X S+ 0 0 7 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.929 111.4 49.0 -58.1 -49.1 22.5 13.4 -16.7 204 10 C D H X S+ 0 0 75 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.927 108.5 55.7 -55.5 -44.5 26.1 14.6 -17.3 205 11 C A H X S+ 0 0 11 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.883 103.3 53.1 -61.2 -40.0 25.9 12.9 -20.7 206 12 C L H X S+ 0 0 4 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.917 112.4 45.5 -59.7 -43.6 22.8 14.7 -21.7 207 13 C I H X S+ 0 0 9 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.928 114.0 48.1 -64.1 -48.2 24.5 18.0 -20.9 208 14 C T H X S+ 0 0 15 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.939 110.8 51.4 -62.1 -44.3 27.7 17.0 -22.7 209 15 C V H X S+ 0 0 0 -4,-2.9 4,-0.7 2,-0.2 3,-0.2 0.937 111.5 46.5 -58.9 -50.2 25.9 15.8 -25.9 210 16 C F H >X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-1.7 0.954 114.6 45.8 -55.6 -52.8 23.9 19.1 -26.2 211 17 C H H 3X S+ 0 0 13 -4,-2.2 4,-0.5 1,-0.3 -1,-0.2 0.725 100.4 69.5 -71.3 -20.7 26.9 21.3 -25.7 212 18 C N H 3< S+ 0 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108.7 52.7 -55.2 -48.2 6.8 -1.4 -36.1 481 89 E F H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.936 110.3 46.9 -56.2 -47.2 8.0 0.8 -33.3 482 90 E F H X S+ 0 0 24 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.945 113.2 48.8 -63.9 -43.8 10.3 2.8 -35.6 483 91 E Q H X S+ 0 0 20 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.899 112.1 48.4 -61.9 -42.6 7.6 3.2 -38.3 484 92 E E H X S+ 0 0 77 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.866 109.5 52.2 -71.8 -33.8 5.0 4.4 -35.7 485 93 E Q H X S+ 0 0 49 -4,-2.4 4,-1.5 -5,-0.3 -1,-0.2 0.904 112.5 46.1 -66.9 -37.7 7.4 6.9 -34.2 486 94 E Q H X S+ 0 0 34 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.912 114.6 47.1 -69.5 -39.3 8.0 8.3 -37.7 487 95 E K H < S+ 0 0 111 -4,-2.8 3,-0.3 1,-0.2 -2,-0.2 0.951 109.7 54.9 -64.6 -44.5 4.3 8.3 -38.5 488 96 E K H < S+ 0 0 165 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.799 109.3 45.8 -57.0 -37.9 3.6 10.0 -35.1 489 97 E R H < 0 0 72 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.786 360.0 360.0 -76.2 -29.1 6.1 12.9 -35.8 490 98 E S < 0 0 82 -4,-1.5 -3,-0.1 -3,-0.3 -2,-0.1 0.698 360.0 360.0 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F A H X S+ 0 0 9 -4,-1.9 4,-3.2 2,-0.2 5,-0.3 0.895 105.0 53.2 -61.4 -40.8 20.4 -4.6 -40.5 502 12 F L H X S+ 0 0 5 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.926 112.8 45.6 -59.0 -45.7 17.3 -6.5 -41.6 503 13 F I H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.945 114.3 47.5 -60.8 -54.8 15.3 -3.3 -40.9 504 14 F T H X S+ 0 0 13 -4,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.898 111.2 50.6 -53.5 -49.6 17.7 -1.1 -42.7 505 15 F V H >X S+ 0 0 0 -4,-3.2 4,-0.8 2,-0.2 3,-0.5 0.950 110.4 50.0 -55.7 -47.3 17.9 -3.3 -45.8 506 16 F F H >X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.3 3,-1.5 0.949 113.7 44.3 -58.8 -48.6 14.2 -3.5 -46.0 507 17 F H H 3X S+ 0 0 7 -4,-2.3 4,-0.6 1,-0.3 -1,-0.3 0.662 100.6 70.0 -73.5 -19.3 13.8 0.3 -45.8 508 18 F N H << S+ 0 0 71 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.749 117.5 22.1 -64.1 -25.6 16.7 0.8 -48.2 509 19 F Y H X< S+ 0 0 31 -3,-1.5 3,-0.7 -4,-0.8 -2,-0.2 0.578 110.1 70.9-115.3 -16.3 14.4 -0.6 -50.9 510 20 F S H 3< S+ 0 0 1 -4,-1.6 8,-0.5 1,-0.2 3,-0.4 0.654 89.1 65.4 -81.8 -14.1 10.8 -0.1 -49.7 511 21 F G T 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37,-0.4 4,-2.4 2,-0.2 5,-0.2 0.935 128.7 52.6 -51.3 -48.7 7.4 -6.3 -57.1 522 32 F G H > S+ 0 0 41 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 111.8 43.2 -52.0 -50.9 9.9 -3.7 -58.6 523 33 F E H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.849 112.9 52.5 -66.6 -37.2 11.5 -2.9 -55.2 524 34 F L H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.892 107.5 52.3 -63.2 -44.0 11.6 -6.6 -54.2 525 35 F K H X S+ 0 0 66 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.899 109.6 49.5 -57.8 -46.1 13.4 -7.4 -57.5 526 36 F E H X S+ 0 0 96 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.915 112.1 47.3 -57.3 -48.8 15.9 -4.8 -56.8 527 37 F L H X>S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-0.6 0.940 113.0 49.0 -60.4 -48.8 16.5 -6.1 -53.2 528 38 F L H X5S+ 0 0 4 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.885 113.8 46.4 -56.9 -44.7 16.8 -9.7 -54.5 529 39 F N H <5S+ 0 0 48 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.876 121.7 36.0 -71.4 -35.7 19.3 -8.7 -57.2 530 40 F A H <5S+ 0 0 56 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.842 131.4 24.6 -83.4 -34.4 21.4 -6.5 -54.8 531 41 F E H <5S+ 0 0 14 -4,-3.3 -133,-0.4 -5,-0.2 -136,-0.2 0.686 129.9 30.8-110.8 -29.2 21.2 -8.6 -51.6 532 42 F L >X< + 0 0 4 -4,-1.4 3,-0.8 -5,-0.6 4,-0.8 -0.141 69.8 133.3-128.4 37.2 20.4 -12.2 -52.5 533 43 F T G >4> + 0 0 51 1,-0.3 5,-2.7 2,-0.2 3,-1.1 0.856 68.6 62.2 -63.6 -36.3 22.1 -12.6 -55.9 534 44 F D G >45S+ 0 0 87 1,-0.3 3,-1.7 3,-0.2 -1,-0.3 0.869 98.9 56.5 -56.9 -35.3 23.8 -15.9 -54.9 535 45 F F G <45S+ 0 0 74 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.771 108.7 46.7 -67.4 -25.2 20.3 -17.4 -54.5 536 46 F L G X<5S- 0 0 5 -3,-1.1 3,-2.5 -4,-0.8 -1,-0.3 0.152 116.6-117.7 -95.1 14.4 19.6 -16.4 -58.1 537 47 F M T < 5 - 0 0 141 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.766 63.0 -72.0 50.8 33.8 22.9 -17.8 -59.2 538 48 F S T 3 + 0 0 65 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.656 13.8 167.3-137.9 75.2 15.6 -14.6 -63.2 542 52 F P H > S+ 0 0 79 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.828 79.3 56.8 -71.4 -26.5 12.3 -12.6 -63.5 543 53 F M H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.928 110.4 47.3 -65.2 -40.5 10.1 -15.8 -63.7 544 54 F L H > S+ 0 0 64 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 110.4 51.2 -65.0 -39.5 11.6 -16.7 -60.3 545 55 F V H X S+ 0 0 1 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.915 107.3 54.1 -63.0 -40.5 11.0 -13.2 -58.9 546 56 F E H X S+ 0 0 83 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.945 111.3 45.3 -55.2 -49.0 7.4 -13.4 -60.0 547 57 F K H X S+ 0 0 114 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.866 112.2 50.3 -64.5 -41.9 7.0 -16.6 -58.1 548 58 F I H X S+ 0 0 32 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.910 110.2 52.1 -60.6 -43.2 8.8 -15.3 -55.0 549 59 F M H X S+ 0 0 6 -4,-3.2 4,-1.9 1,-0.2 -2,-0.2 0.952 111.3 46.0 -58.9 -49.7 6.5 -12.2 -55.1 550 60 F N H < S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.867 113.6 49.2 -63.2 -39.1 3.4 -14.5 -55.2 551 61 F D H < S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.897 114.6 42.9 -64.6 -45.9 4.7 -16.7 -52.5 552 62 F L H < S+ 0 0 15 -4,-2.6 2,-2.0 1,-0.2 3,-0.2 0.753 96.5 77.6 -74.1 -25.3 5.6 -13.8 -50.1 553 63 F D >< + 0 0 10 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 -0.438 55.5 160.5 -85.8 69.4 2.5 -11.8 -50.7 554 64 F S T 3 S+ 0 0 90 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.751 71.2 49.4 -62.4 -32.7 0.2 -13.9 -48.5 555 65 F N T 3 S- 0 0 84 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.322 105.2-126.5 -92.5 6.0 -2.5 -11.3 -48.1 556 66 F K < + 0 0 153 -3,-1.6 -2,-0.1 -6,-0.1 -3,-0.1 0.859 67.5 131.2 59.6 40.5 -2.7 -10.6 -51.9 557 67 F D S S- 0 0 51 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.293 76.8-113.6-103.9 11.2 -2.2 -6.8 -51.7 558 68 F N S S+ 0 0 122 1,-0.2 -37,-0.4 -5,-0.2 2,-0.3 0.722 87.3 91.1 67.0 21.8 0.5 -6.7 -54.4 559 69 F E S S- 0 0 39 -39,-0.1 2,-0.7 -10,-0.1 -2,-0.4 -0.976 71.9-132.4-140.6 152.9 3.2 -5.7 -51.8 560 70 F V E -F 519 0F 0 -41,-2.7 -41,-2.8 -2,-0.3 -7,-0.1 -0.933 31.4-163.6-105.8 104.9 5.6 -7.4 -49.6 561 71 F D E > -F 518 0F 37 -2,-0.7 4,-2.7 -43,-0.2 5,-0.2 -0.171 37.3 -91.8 -78.8 176.1 5.3 -5.8 -46.2 562 72 F F H > S+ 0 0 8 -45,-0.5 4,-2.6 1,-0.2 5,-0.2 0.916 126.2 50.7 -66.0 -39.4 7.9 -6.2 -43.5 563 73 F N H > S+ 0 0 93 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.931 112.4 47.8 -59.7 -43.5 6.4 -9.2 -41.9 564 74 F E H > S+ 0 0 8 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