==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 27-JAN-03 1NSH . COMPND 2 MOLECULE: CALGIZZARIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR A.C.DEMPSEY,M.P.WALSH,G.S.SHAW . 202 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12390.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 65.3 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 . 4 2.0 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 . 2 1.0 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 . 2 1.0 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 . 8 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 42.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 2 0 0 2 0 0 0 2 0 2 0 0 2 0 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 . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A S 0 0 55 0, 0.0 143,-0.0 0, 0.0 144,-0.0 0.000 360.0 360.0 360.0 149.1 10.6 -7.9 13.9 2 2 A R + 0 0 197 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.204 360.0 44.7-158.2 -65.1 7.1 -7.8 15.2 3 3 A P S S+ 0 0 104 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.378 83.1 126.8 -76.9 4.4 6.1 -4.7 17.4 4 4 A T S > S- 0 0 31 1,-0.1 4,-2.1 2,-0.0 5,-0.4 -0.413 72.5-121.6 -68.4 137.9 7.9 -2.4 15.0 5 5 A E H > S+ 0 0 125 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.846 117.3 46.5 -44.8 -41.3 5.8 0.5 13.7 6 6 A T H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.893 105.0 60.9 -71.1 -39.4 6.4 -0.8 10.2 7 7 A E H > S+ 0 0 22 1,-0.3 4,-1.7 -3,-0.3 -2,-0.2 0.945 109.8 40.4 -51.9 -53.3 5.6 -4.4 11.2 8 8 A R H X S+ 0 0 154 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.782 111.5 62.1 -65.9 -26.6 2.1 -3.3 12.2 9 9 A C H X S+ 0 0 0 -4,-1.0 4,-1.3 -5,-0.4 106,-0.3 0.941 105.4 42.9 -64.9 -49.9 2.0 -1.1 9.1 10 10 A I H X S+ 0 0 2 -4,-2.6 4,-2.0 1,-0.2 3,-0.5 0.972 113.0 50.2 -61.5 -57.2 2.4 -4.0 6.6 11 11 A E H X S+ 0 0 87 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.763 105.0 64.1 -52.9 -27.4 -0.0 -6.3 8.2 12 12 A S H X S+ 0 0 26 -4,-1.1 4,-1.3 -5,-0.2 -1,-0.2 0.957 108.5 33.8 -63.8 -55.4 -2.5 -3.5 8.3 13 13 A L H X S+ 0 0 3 -4,-1.3 4,-1.0 -3,-0.5 -2,-0.2 0.783 114.7 58.6 -74.2 -28.6 -2.9 -3.0 4.5 14 14 A I H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.858 108.1 46.2 -66.9 -37.1 -2.5 -6.7 3.6 15 15 A A H X S+ 0 0 25 -4,-1.3 4,-3.8 -5,-0.2 5,-0.3 0.831 97.9 67.2 -78.4 -32.9 -5.4 -7.6 5.8 16 16 A V H X S+ 0 0 7 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.897 113.5 36.9 -52.2 -37.6 -7.7 -4.9 4.5 17 17 A F H X S+ 0 0 2 -4,-1.0 4,-3.4 2,-0.2 3,-0.5 0.960 116.8 49.4 -77.1 -58.0 -7.5 -6.9 1.3 18 18 A Q H < S+ 0 0 36 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.883 103.6 62.3 -49.0 -47.2 -7.4 -10.4 2.8 19 19 A K H >< S+ 0 0 101 -4,-3.8 3,-0.6 1,-0.2 -1,-0.2 0.920 119.0 25.7 -47.7 -51.8 -10.5 -9.6 5.0 20 20 A Y H 3< S+ 0 0 49 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.778 121.4 58.6 -81.2 -29.8 -12.7 -9.1 2.0 21 21 A A T 3< S- 0 0 10 -4,-3.4 6,-0.7 1,-0.3 5,-0.4 0.224 131.2 -26.7 -84.1 13.0 -10.5 -11.3 -0.1 22 22 A G < - 0 0 21 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 -0.118 42.4-164.8 139.6 122.2 -11.1 -14.2 2.2 23 23 A K S S+ 0 0 160 -3,-0.2 -4,-0.1 1,-0.1 -3,-0.1 0.729 101.4 26.4 -96.7 -28.8 -11.9 -14.7 5.9 24 24 A D S S- 0 0 153 -5,-0.1 -1,-0.1 0, 0.0 -5,-0.0 -0.044 126.4 -85.5-123.1 29.0 -11.0 -18.4 6.0 25 25 A G + 0 0 71 -7,-0.1 -3,-0.1 2,-0.1 3,-0.1 0.859 66.3 150.9 67.2 107.3 -8.5 -18.5 3.2 26 26 A H - 0 0 167 1,-0.5 2,-0.3 -5,-0.4 -4,-0.1 0.587 60.6 -26.1-130.2 -53.3 -9.9 -19.0 -0.2 27 27 A S - 0 0 70 -6,-0.7 -1,-0.5 2,-0.2 -2,-0.1 -0.883 56.8-100.0-154.4-176.4 -7.6 -17.3 -2.8 28 28 A V S S+ 0 0 40 -2,-0.3 2,-0.2 -3,-0.1 -6,-0.1 0.073 97.2 64.9-102.4 22.6 -5.1 -14.6 -3.4 29 29 A T - 0 0 17 -8,-0.3 -2,-0.2 1,-0.1 -3,-0.1 -0.629 57.0-165.8-129.9-172.2 -7.6 -12.2 -5.0 30 30 A L - 0 0 3 -2,-0.2 41,-0.2 -8,-0.0 2,-0.2 -0.159 31.6 -87.5-142.7-121.8 -10.8 -10.3 -4.0 31 31 A S > - 0 0 14 39,-0.2 4,-1.9 41,-0.1 5,-0.2 -0.835 15.0-129.7-172.3 131.0 -13.5 -8.5 -6.0 32 32 A K H > S+ 0 0 112 -2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.872 115.8 42.5 -50.0 -41.4 -14.1 -5.0 -7.5 33 33 A T H >> S+ 0 0 101 2,-0.2 3,-1.2 1,-0.2 4,-1.1 0.894 106.2 60.0 -74.1 -41.9 -17.5 -5.0 -5.8 34 34 A E H 3> S+ 0 0 78 1,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.825 101.7 57.4 -56.0 -28.8 -16.3 -6.5 -2.5 35 35 A F H 3X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.816 96.0 66.1 -69.6 -32.0 -14.0 -3.5 -2.4 36 36 A L H X + 0 0 0 -4,-1.2 4,-1.0 -5,-0.1 3,-0.7 -0.153 56.6 135.7-163.2 52.9 -12.9 3.9 4.9 44 44 A A H 3> + 0 0 30 1,-0.2 4,-0.5 2,-0.2 6,-0.2 0.782 68.5 71.0 -75.3 -27.3 -15.6 6.6 5.0 45 45 A A H 34 S+ 0 0 34 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.720 105.7 41.0 -60.7 -20.0 -13.0 9.2 5.7 46 46 A F H <4 S+ 0 0 9 -3,-0.7 10,-0.2 -7,-0.3 -1,-0.2 0.727 131.9 23.3 -97.6 -30.0 -12.0 8.7 2.1 47 47 A T H >< S+ 0 0 8 -4,-1.0 3,-1.0 -8,-0.3 2,-0.7 -0.237 77.9 161.4-131.4 44.2 -15.5 8.4 0.6 48 48 A K G >< S- 0 0 118 -4,-0.5 3,-1.7 1,-0.3 4,-0.1 -0.568 86.1 -23.6 -71.6 108.8 -17.6 10.3 3.2 49 49 A N G 3 S- 0 0 166 -2,-0.7 -1,-0.3 1,-0.3 -5,-0.0 0.719 109.4 -81.9 60.5 20.0 -20.9 11.1 1.4 50 50 A Q G < S+ 0 0 76 -3,-1.0 -1,-0.3 -6,-0.2 -2,-0.1 0.843 76.1 163.7 54.0 35.8 -18.9 10.9 -1.8 51 51 A K S < S+ 0 0 172 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.795 74.0 33.9 -53.1 -28.7 -17.6 14.4 -1.2 52 52 A D >> + 0 0 88 -6,-0.2 3,-0.9 -4,-0.1 4,-0.6 -0.860 63.2 179.4-134.0 98.7 -14.9 13.6 -3.7 53 53 A P T 34 S+ 0 0 75 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.153 78.0 68.1 -83.4 20.3 -15.9 11.3 -6.6 54 54 A G T 34 S+ 0 0 17 3,-0.1 -2,-0.0 32,-0.1 0, 0.0 0.522 92.0 55.2-113.8 -11.3 -12.4 11.5 -8.0 55 55 A V T <> S+ 0 0 16 -3,-0.9 4,-1.0 -9,-0.2 5,-0.1 0.951 122.6 17.5 -84.5 -63.1 -10.4 9.7 -5.4 56 56 A L H X S+ 0 0 19 -4,-0.6 4,-2.9 -10,-0.2 5,-0.4 0.932 126.5 52.5 -75.3 -51.5 -12.1 6.3 -5.1 57 57 A D H > S+ 0 0 94 -5,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.846 112.4 46.4 -55.3 -38.4 -14.0 6.3 -8.4 58 58 A R H > S+ 0 0 132 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.824 115.3 46.7 -75.0 -32.9 -10.8 7.2 -10.3 59 59 A M H X S+ 0 0 7 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.947 111.6 47.0 -73.9 -53.1 -8.7 4.5 -8.5 60 60 A M H < S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.812 117.7 45.7 -60.8 -30.4 -11.1 1.6 -8.7 61 61 A K H >< S+ 0 0 142 -4,-1.1 3,-0.8 -5,-0.4 4,-0.2 0.904 116.5 41.8 -78.8 -45.2 -11.7 2.4 -12.4 62 62 A K H 3< S+ 0 0 122 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.533 86.8 95.3 -80.4 -7.3 -8.0 2.9 -13.4 63 63 A L T 3< S- 0 0 20 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 0.712 86.5-138.8 -57.2 -18.2 -6.9 -0.1 -11.3 64 64 A D < - 0 0 116 -3,-0.8 2,-0.6 1,-0.2 -2,-0.1 0.971 13.4-146.0 55.3 86.0 -7.1 -2.1 -14.5 65 65 A L + 0 0 27 -4,-0.2 -1,-0.2 1,-0.1 6,-0.1 -0.750 56.4 111.8 -88.7 118.4 -8.7 -5.4 -13.4 66 66 A N + 0 0 139 -2,-0.6 2,-0.7 4,-0.3 -1,-0.1 0.106 33.9 123.4-173.9 33.5 -7.4 -8.4 -15.4 67 67 A S B > S-A 70 0A 34 3,-0.8 3,-0.9 4,-0.2 -2,-0.0 -0.881 98.8 -31.6-111.5 101.7 -5.4 -10.5 -13.0 68 68 A D T 3 S- 0 0 136 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.595 107.9 -76.6 67.4 10.3 -6.7 -14.1 -12.8 69 69 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.078 117.2 70.8 89.9 -26.0 -10.1 -12.7 -13.4 70 70 A Q B < S-A 67 0A 84 -3,-0.9 -3,-0.8 1,-0.2 -1,-0.3 -0.358 95.2 -75.6-110.3-168.5 -10.5 -11.4 -9.9 71 71 A L - 0 0 0 -41,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.608 53.2-151.9 -62.3-134.9 -8.9 -8.6 -7.8 72 72 A D - 0 0 17 1,-0.1 4,-0.4 -7,-0.0 -1,-0.1 -0.978 25.4 -82.5 178.6-171.1 -5.3 -9.1 -6.5 73 73 A F S > S+ 0 0 53 -2,-0.3 4,-1.2 2,-0.1 3,-0.3 0.947 121.6 27.5 -83.3 -57.7 -2.7 -8.4 -3.8 74 74 A Q H > S+ 0 0 12 1,-0.2 4,-4.8 2,-0.2 5,-0.4 0.827 106.1 77.4 -76.1 -30.7 -1.3 -5.0 -4.8 75 75 A E H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.886 101.6 41.9 -44.7 -42.3 -4.6 -4.0 -6.6 76 76 A F H >>S+ 0 0 0 -4,-0.4 4,-3.6 -3,-0.3 5,-0.7 0.977 115.0 46.9 -70.0 -54.4 -5.9 -3.3 -3.1 77 77 A L H X5S+ 0 0 9 -4,-1.2 4,-1.6 1,-0.3 5,-0.3 0.863 118.5 45.6 -53.6 -33.6 -2.7 -1.6 -1.8 78 78 A N H X5S+ 0 0 53 -4,-4.8 4,-1.9 3,-0.2 -1,-0.3 0.871 114.2 48.3 -74.7 -40.8 -2.9 0.3 -5.1 79 79 A L H X5S+ 0 0 0 -4,-2.7 4,-1.1 -5,-0.4 -2,-0.2 0.982 127.0 24.7 -65.0 -57.8 -6.6 0.9 -4.6 80 80 A I H X5S+ 0 0 1 -4,-3.6 4,-2.4 2,-0.2 5,-0.2 0.904 121.1 57.8 -74.6 -42.5 -6.4 2.1 -1.0 81 81 A G H XX>S+ 0 0 0 -4,-1.1 5,-0.8 1,-0.2 3,-0.8 0.913 102.0 58.8 -61.2 -42.3 -6.5 7.0 -2.1 84 84 A A H 3<5S+ 0 0 2 -4,-2.4 4,-0.4 1,-0.3 7,-0.4 0.842 110.5 43.7 -54.5 -33.2 -4.0 7.7 0.7 85 85 A V H 3<5S+ 0 0 12 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.642 119.6 42.1 -85.5 -17.8 -2.1 9.8 -1.8 86 86 A A H <<5S+ 0 0 42 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.172 137.8 11.4-112.6 13.7 -5.3 11.4 -3.0 87 87 A C T <5S+ 0 0 47 -4,-0.6 -3,-0.2 -3,-0.3 -2,-0.2 0.347 122.2 49.5-154.6 -43.3 -6.9 11.9 0.4 88 88 A H S >>4 S+ 0 0 38 1,-0.2 2,-1.9 2,-0.2 3,-0.7 0.305 103.2 67.2 -58.3-163.4 -0.7 12.5 3.6 90 90 A S G 34 S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.1 -5,-0.1 -0.354 126.9 8.9 81.6 -57.4 2.0 12.1 1.0 91 91 A F G X> S+ 0 0 93 -2,-1.9 4,-0.8 -3,-0.6 3,-0.7 0.687 120.2 69.3-119.1 -45.2 0.3 14.3 -1.5 92 92 A V T << S+ 0 0 58 -4,-1.3 -2,-0.1 -3,-0.7 -5,-0.1 -0.233 99.7 25.0 -74.0 166.6 -2.6 16.0 0.3 93 93 A K T 34 S+ 0 0 155 1,-0.2 -1,-0.2 -4,-0.1 -3,-0.1 0.771 113.6 77.1 48.5 28.0 -2.2 18.5 3.1 94 94 A A T <4 S+ 0 0 63 -3,-0.7 -2,-0.2 -5,-0.1 -1,-0.2 0.570 98.7 26.6-130.8 -37.7 1.2 19.3 1.4 95 95 A A >< + 0 0 38 -4,-0.8 3,-1.2 1,-0.1 -2,-0.1 -0.527 62.5 156.0-131.8 66.5 0.3 21.4 -1.7 96 96 A P G > S+ 0 0 93 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.918 84.9 38.1 -57.4 -46.9 -2.9 23.3 -1.0 97 97 A P G 3 S+ 0 0 121 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.322 113.5 60.8 -87.5 8.0 -2.1 26.0 -3.5 98 98 A Q G < S+ 0 0 162 -3,-1.2 2,-0.4 2,-0.0 -3,-0.0 -0.110 79.8 109.8-124.7 34.5 -0.6 23.5 -5.9 99 99 A K < + 0 0 166 -3,-0.7 2,-0.3 -7,-0.0 -7,-0.0 -0.902 33.6 136.7-114.9 141.7 -3.6 21.3 -6.5 100 100 A R 0 0 229 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.922 360.0 360.0-162.2-175.9 -5.6 20.9 -9.7 101 101 A F 0 0 249 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.053 360.0 360.0 -60.1 360.0 -7.3 18.6 -12.2 102 !* 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 0.0 103 1 B S 0 0 55 0, 0.0 -61,-0.0 0, 0.0 -60,-0.0 0.000 360.0 360.0 360.0 149.1 -13.1 7.9 10.6 104 2 B R + 0 0 199 0, 0.0 6,-0.1 0, 0.0 0, 0.0 0.205 360.0 44.8-158.2 -65.0 -9.9 7.8 12.8 105 3 B P S S+ 0 0 106 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.379 83.1 126.7 -77.0 4.4 -9.6 4.9 15.2 106 4 B T S > S- 0 0 33 1,-0.1 4,-2.1 2,-0.0 5,-0.4 -0.412 72.5-121.6 -68.4 137.9 -10.7 2.4 12.5 107 5 B E H > S+ 0 0 125 1,-0.3 4,-1.0 2,-0.2 -1,-0.1 0.846 117.3 46.5 -44.7 -41.3 -8.4 -0.5 11.9 108 6 B T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.892 105.0 60.9 -71.1 -39.4 -8.1 0.7 8.3 109 7 B E H > S+ 0 0 23 1,-0.3 4,-1.7 -3,-0.3 -2,-0.2 0.945 109.8 40.3 -52.0 -53.4 -7.5 4.3 9.4 110 8 B R H X S+ 0 0 155 -4,-2.1 4,-1.1 1,-0.2 -1,-0.3 0.783 111.5 62.1 -65.9 -26.6 -4.3 3.3 11.2 111 9 B C H X S+ 0 0 0 -4,-1.0 4,-1.3 -5,-0.4 -98,-0.3 0.941 105.4 42.9 -65.0 -49.8 -3.5 1.0 8.3 112 10 B I H X S+ 0 0 3 -4,-2.6 4,-2.0 1,-0.2 3,-0.5 0.972 113.0 50.2 -61.6 -57.1 -3.3 3.7 5.7 113 11 B E H X S+ 0 0 85 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.763 105.0 64.1 -52.9 -27.5 -1.3 6.2 7.9 114 12 B S H X S+ 0 0 27 -4,-1.1 4,-1.3 -5,-0.2 -1,-0.2 0.957 108.4 33.8 -63.8 -55.5 1.0 3.3 8.6 115 13 B L H X S+ 0 0 4 -4,-1.3 4,-1.0 -3,-0.5 -2,-0.2 0.783 114.7 58.5 -74.2 -28.6 2.4 2.7 5.1 116 14 B I H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.858 108.1 46.2 -66.9 -37.0 2.2 6.4 4.0 117 15 B A H X S+ 0 0 26 -4,-1.3 4,-3.8 -5,-0.2 5,-0.3 0.830 97.9 67.1 -78.4 -33.0 4.5 7.4 6.8 118 16 B V H X S+ 0 0 8 -4,-1.3 4,-0.8 1,-0.2 -1,-0.2 0.897 113.5 36.9 -52.1 -37.6 7.1 4.6 6.3 119 17 B F H X S+ 0 0 2 -4,-1.0 4,-3.4 2,-0.2 3,-0.5 0.960 116.8 49.4 -77.0 -58.0 7.7 6.5 3.1 120 18 B Q H < S+ 0 0 36 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.883 103.6 62.3 -49.0 -47.2 7.2 10.1 4.4 121 19 B K H >< S+ 0 0 103 -4,-3.8 3,-0.6 1,-0.2 -1,-0.2 0.919 119.0 25.7 -47.6 -51.9 9.6 9.4 7.3 122 20 B Y H 3< S+ 0 0 49 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.779 121.4 58.6 -81.1 -29.8 12.5 8.8 4.9 123 21 B A T 3< S- 0 0 11 -4,-3.4 6,-0.7 1,-0.3 5,-0.4 0.224 131.2 -26.7 -84.0 13.0 10.9 10.9 2.3 124 22 B G < - 0 0 23 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.1 -0.118 42.4-164.8 139.5 122.3 10.9 13.9 4.6 125 23 B K S S+ 0 0 155 -3,-0.2 -4,-0.1 1,-0.1 -3,-0.1 0.730 101.4 26.4 -96.7 -28.9 10.8 14.5 8.3 126 24 B D S S- 0 0 156 -5,-0.1 -1,-0.1 0, 0.0 -5,-0.0 -0.044 126.5 -85.4-123.0 28.9 9.9 18.2 8.2 127 25 B G + 0 0 70 -7,-0.1 -3,-0.1 2,-0.1 3,-0.1 0.858 66.3 150.9 67.3 107.2 8.2 18.2 4.8 128 26 B H - 0 0 170 1,-0.5 2,-0.3 -5,-0.4 -4,-0.1 0.586 60.6 -26.2-130.1 -53.4 10.4 18.6 1.8 129 27 B S - 0 0 71 -6,-0.7 -1,-0.5 2,-0.2 -39,-0.1 -0.883 56.8 -99.9-154.4-176.4 8.9 16.9 -1.3 130 28 B V S S+ 0 0 41 -2,-0.3 2,-0.2 -3,-0.1 -6,-0.1 0.074 97.2 64.9-102.5 22.6 6.6 14.1 -2.4 131 29 B T - 0 0 19 -8,-0.3 -2,-0.2 1,-0.1 -3,-0.1 -0.629 57.0-165.8-129.8-172.1 9.4 11.7 -3.1 132 30 B L - 0 0 3 -2,-0.2 41,-0.3 -8,-0.0 2,-0.2 -0.160 31.6 -87.5-142.8-121.7 12.2 9.8 -1.4 133 31 B S > - 0 0 14 39,-0.2 4,-1.9 41,-0.1 5,-0.2 -0.836 15.0-129.7-172.4 131.0 15.4 8.0 -2.6 134 32 B K H > S+ 0 0 113 -2,-0.2 4,-0.6 1,-0.2 -1,-0.1 0.872 115.9 42.5 -50.0 -41.4 16.2 4.4 -3.7 135 33 B T H >> S+ 0 0 100 2,-0.2 3,-1.2 1,-0.2 4,-1.1 0.893 106.2 60.0 -74.2 -42.0 19.1 4.4 -1.2 136 34 B E H 3> S+ 0 0 78 1,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.825 101.7 57.4 -56.0 -28.7 17.2 6.1 1.6 137 35 B F H 3X S+ 0 0 3 -4,-1.9 4,-2.4 1,-0.2 -1,-0.3 0.816 96.0 66.1 -69.7 -32.1 14.9 3.0 1.3 138 36 B L H X + 0 0 0 -4,-1.2 4,-1.0 -5,-0.1 3,-0.7 -0.153 56.6 135.7-163.2 52.9 12.0 -4.1 8.2 146 44 B A H 3> + 0 0 29 1,-0.2 4,-0.5 2,-0.2 6,-0.2 0.782 68.5 71.1 -75.2 -27.3 14.5 -6.8 9.2 147 45 B A H 34 S+ 0 0 35 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.720 105.7 41.0 -60.6 -19.9 11.8 -9.4 9.2 148 46 B F H <4 S+ 0 0 9 -3,-0.7 10,-0.2 -7,-0.3 -1,-0.2 0.728 131.9 23.3 -97.7 -30.1 11.8 -9.0 5.4 149 47 B T H >< S+ 0 0 8 -4,-1.0 3,-1.0 -8,-0.3 2,-0.7 -0.235 77.9 161.4-131.3 44.4 15.6 -8.8 4.9 150 48 B K G >< S- 0 0 119 -4,-0.5 3,-1.7 1,-0.3 4,-0.1 -0.567 86.1 -23.5 -71.7 108.8 16.9 -10.5 8.0 151 49 B N G 3 S- 0 0 167 -2,-0.7 -1,-0.3 1,-0.3 -5,-0.0 0.719 109.4 -81.9 60.6 19.9 20.5 -11.4 7.2 152 50 B Q G < S+ 0 0 78 -3,-1.0 -1,-0.3 -6,-0.2 -2,-0.1 0.843 76.1 163.8 54.0 35.9 19.4 -11.2 3.5 153 51 B K S < S+ 0 0 169 -3,-1.7 -1,-0.1 1,-0.3 -2,-0.1 0.795 74.0 33.9 -53.2 -28.7 18.0 -14.8 3.9 154 52 B D >> + 0 0 87 -6,-0.2 3,-0.9 -4,-0.1 4,-0.6 -0.861 63.2 179.5-133.9 98.7 16.0 -14.1 0.8 155 53 B P T 34 S+ 0 0 75 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.153 78.0 68.1 -83.4 20.3 17.7 -11.8 -1.9 156 54 B G T 34 S+ 0 0 16 3,-0.1 -2,-0.0 32,-0.1 0, 0.0 0.522 92.0 55.2-113.8 -11.2 14.7 -12.2 -4.1 157 55 B V T <> S+ 0 0 15 -3,-0.9 4,-1.0 -9,-0.2 5,-0.1 0.951 122.6 17.5 -84.5 -63.2 12.1 -10.3 -2.1 158 56 B L H X S+ 0 0 18 -4,-0.6 4,-2.9 -10,-0.2 5,-0.4 0.932 126.5 52.5 -75.3 -51.5 13.7 -6.8 -1.5 159 57 B D H > S+ 0 0 89 -5,-0.3 4,-1.1 1,-0.2 -1,-0.2 0.845 112.4 46.4 -55.4 -38.5 16.3 -7.0 -4.2 160 58 B R H > S+ 0 0 130 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.824 115.3 46.7 -74.9 -32.9 13.8 -7.9 -6.9 161 59 B M H X S+ 0 0 6 -4,-1.0 4,-1.4 2,-0.2 -2,-0.2 0.947 111.6 47.0 -74.0 -52.9 11.3 -5.2 -5.8 162 60 B M H < S+ 0 0 30 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.812 117.6 45.6 -60.8 -30.4 13.7 -2.3 -5.5 163 61 B K H >< S+ 0 0 142 -4,-1.1 3,-0.8 -5,-0.4 4,-0.2 0.903 116.5 41.8 -78.9 -45.2 15.2 -3.1 -8.9 164 62 B K H 3< S+ 0 0 123 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.533 86.8 95.2 -80.2 -7.4 11.9 -3.7 -10.7 165 63 B L T 3< S- 0 0 21 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.1 0.712 86.5-138.8 -57.1 -18.2 10.3 -0.7 -9.1 166 64 B D < - 0 0 114 -3,-0.8 2,-0.6 1,-0.2 -2,-0.1 0.971 13.4-146.0 55.4 85.9 11.3 1.2 -12.2 167 65 B L + 0 0 25 -4,-0.2 -1,-0.2 1,-0.1 6,-0.1 -0.750 56.4 111.8 -88.7 118.3 12.6 4.6 -10.9 168 66 B N + 0 0 144 -2,-0.6 2,-0.7 4,-0.3 -1,-0.1 0.107 33.9 123.4-173.8 33.5 11.9 7.5 -13.2 169 67 B S B > S-B 172 0B 34 3,-0.8 3,-0.9 4,-0.2 -2,-0.0 -0.881 98.8 -31.6-111.5 101.7 9.3 9.7 -11.4 170 68 B D T 3 S- 0 0 134 -2,-0.7 -1,-0.1 1,-0.3 3,-0.1 0.596 107.9 -76.6 67.4 10.3 10.5 13.3 -11.0 171 69 B G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 2,-0.1 2,-0.1 0.078 117.2 70.8 89.9 -26.0 14.0 11.9 -10.7 172 70 B Q B < S-B 169 0B 86 -3,-0.9 -3,-0.8 1,-0.2 -1,-0.3 -0.358 95.2 -75.6-110.4-168.4 13.4 10.7 -7.1 173 71 B L - 0 0 0 -41,-0.3 2,-0.3 -2,-0.1 -1,-0.2 0.607 53.2-151.9 -62.4-135.0 11.4 8.0 -5.4 174 72 B D - 0 0 17 1,-0.1 4,-0.4 -7,-0.0 -1,-0.1 -0.978 25.5 -82.5 178.6-171.1 7.6 8.5 -5.1 175 73 B F S > S+ 0 0 56 -2,-0.3 4,-1.2 2,-0.1 3,-0.3 0.948 121.6 27.5 -83.2 -57.8 4.4 7.8 -3.1 176 74 B Q H > S+ 0 0 12 1,-0.2 4,-4.8 2,-0.2 5,-0.4 0.827 106.0 77.4 -76.1 -30.7 3.3 4.4 -4.4 177 75 B E H > S+ 0 0 22 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.886 101.6 41.9 -44.7 -42.3 6.8 3.4 -5.2 178 76 B F H >>S+ 0 0 0 -4,-0.4 4,-3.6 -3,-0.3 5,-0.7 0.977 115.0 46.9 -70.0 -54.3 7.2 2.8 -1.5 179 77 B L H X5S+ 0 0 8 -4,-1.2 4,-1.6 1,-0.3 5,-0.3 0.862 118.6 45.6 -53.6 -33.6 3.8 1.2 -1.0 180 78 B N H X5S+ 0 0 50 -4,-4.8 4,-1.9 3,-0.2 -1,-0.3 0.871 114.2 48.3 -74.8 -40.7 4.9 -0.8 -4.1 181 79 B L H X5S+ 0 0 0 -4,-2.7 4,-1.1 -5,-0.4 -2,-0.2 0.981 127.0 24.6 -65.1 -57.8 8.3 -1.4 -2.6 182 80 B I H X5S+ 0 0 0 -4,-3.6 4,-2.4 2,-0.2 5,-0.2 0.904 121.1 57.8 -74.7 -42.4 7.2 -2.5 0.8 183 81 B G H XX>S+ 0 0 1 -4,-1.1 5,-0.8 1,-0.2 3,-0.8 0.914 102.0 58.8 -61.2 -42.2 7.5 -7.5 -0.0 186 84 B A H 3<5S+ 0 0 2 -4,-2.4 4,-0.4 1,-0.3 7,-0.4 0.843 110.5 43.7 -54.6 -33.1 4.4 -8.1 2.1 187 85 B V H 3<5S+ 0 0 12 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.641 119.6 42.1 -85.6 -17.7 3.2 -10.3 -0.8 188 86 B A H <<5S+ 0 0 45 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.172 137.8 11.4-112.7 13.8 6.6 -11.9 -1.1 189 87 B C T <5S+ 0 0 44 -4,-0.6 -3,-0.2 -3,-0.3 -2,-0.2 0.347 122.2 49.5-154.6 -43.1 7.2 -12.2 2.6 190 88 B H S >>4 S+ 0 0 38 1,-0.2 2,-1.9 2,-0.2 3,-0.7 0.304 103.2 67.2 -58.3-163.4 0.5 -12.8 4.2 192 90 B S G 34 S+ 0 0 7 1,-0.3 -1,-0.2 2,-0.1 -5,-0.1 -0.353 126.9 8.9 81.6 -57.4 -1.5 -12.5 0.9 193 91 B F G X> S+ 0 0 96 -2,-1.9 4,-0.8 -3,-0.6 3,-0.7 0.686 120.2 69.3-119.1 -45.2 0.8 -14.8 -1.0 194 92 B V T << S+ 0 0 58 -4,-1.3 -2,-0.1 -3,-0.7 -5,-0.1 -0.234 99.7 25.0 -73.9 166.6 3.1 -16.3 1.6 195 93 B K T 34 S+ 0 0 154 1,-0.2 -1,-0.2 -4,-0.1 -3,-0.1 0.772 113.6 77.0 48.5 27.9 2.0 -18.8 4.2 196 94 B A T <4 S+ 0 0 65 -3,-0.7 -2,-0.2 -5,-0.1 -1,-0.2 0.570 98.7 26.7-130.8 -37.6 -0.8 -19.7 1.8 197 95 B A >< + 0 0 37 -4,-0.8 3,-1.2 1,-0.1 -2,-0.1 -0.526 62.5 155.9-131.8 66.5 0.7 -21.8 -0.9 198 96 B P G > S+ 0 0 92 0, 0.0 3,-0.7 0, 0.0 -1,-0.1 0.918 84.9 38.1 -57.3 -47.0 3.7 -23.7 0.7 199 97 B P G 3 S+ 0 0 122 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.320 113.5 60.8 -87.4 8.0 3.6 -26.5 -1.9 200 98 B Q G < S+ 0 0 166 -3,-1.2 2,-0.4 2,-0.0 -3,-0.0 -0.110 79.8 109.8-124.7 34.3 2.7 -24.1 -4.7 201 99 B K < + 0 0 170 -3,-0.7 2,-0.3 -7,-0.0 -7,-0.0 -0.901 33.6 136.7-114.8 141.8 5.8 -21.9 -4.6 202 100 B R 0 0 230 -2,-0.4 -2,-0.0 1,-0.2 0, 0.0 -0.923 360.0 360.0-162.3-175.9 8.6 -21.6 -7.2 203 101 B F 0 0 254 -2,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.055 360.0 360.0 -60.1 360.0 10.8 -19.3 -9.2