==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 28-OCT-04 1XVJ . COMPND 2 MOLECULE: PARVALBUMIN ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR J.J.TANNER,S.AGAH,Y.H.LEE,M.T.HENZL . 218 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11372.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 64.7 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 1.8 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 . 8 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 15.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 40.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 1 4 0 0 2 4 0 4 0 0 0 0 0 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 90 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 173.8 25.3 -20.8 4.2 2 2 A M G >> + 0 0 3 67,-0.4 4,-2.4 1,-0.3 3,-1.6 0.789 360.0 65.3 -60.0 -29.2 25.4 -19.2 0.7 3 3 A T G 34 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.2 5,-0.2 0.611 91.1 63.4 -76.8 -8.4 26.9 -16.0 2.1 4 4 A D G <4 S+ 0 0 129 -3,-1.7 -1,-0.3 1,-0.1 -2,-0.2 0.588 115.4 32.1 -82.6 -9.8 30.0 -17.9 3.1 5 5 A L T <4 S+ 0 0 27 -3,-1.6 2,-0.3 -4,-0.3 -2,-0.2 0.690 126.1 32.5-112.0 -34.8 30.5 -18.5 -0.7 6 6 A L S < S- 0 0 6 -4,-2.4 -1,-0.3 64,-0.1 2,-0.1 -0.896 91.1 -93.0-125.3 157.4 29.1 -15.4 -2.3 7 7 A S > - 0 0 50 26,-0.3 4,-2.4 -2,-0.3 5,-0.2 -0.418 20.6-138.1 -72.1 138.2 28.9 -11.7 -1.2 8 8 A A H > S+ 0 0 71 -5,-0.2 4,-2.8 1,-0.2 5,-0.2 0.928 107.8 51.8 -56.7 -46.4 25.8 -10.5 0.7 9 9 A E H > S+ 0 0 91 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.876 110.7 47.8 -56.8 -43.0 25.9 -7.3 -1.4 10 10 A D H > S+ 0 0 47 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.894 111.6 49.6 -66.8 -43.4 26.0 -9.3 -4.6 11 11 A I H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.958 111.3 48.6 -60.9 -51.8 23.2 -11.6 -3.6 12 12 A K H X S+ 0 0 176 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.907 115.4 44.3 -56.8 -45.3 21.0 -8.7 -2.6 13 13 A K H X S+ 0 0 146 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.908 113.3 50.5 -66.2 -43.7 21.6 -6.9 -5.9 14 14 A A H < S+ 0 0 0 -4,-2.7 3,-0.5 1,-0.2 4,-0.2 0.915 113.9 43.7 -63.0 -45.2 21.2 -10.0 -8.1 15 15 A I H >< S+ 0 0 27 -4,-2.7 3,-1.8 1,-0.2 -1,-0.2 0.890 109.7 57.4 -67.7 -39.6 17.9 -11.0 -6.5 16 16 A G H >< S+ 0 0 41 -4,-2.0 3,-0.8 -5,-0.3 -1,-0.2 0.718 95.6 66.4 -63.4 -20.9 16.7 -7.3 -6.6 17 17 A A T 3< S+ 0 0 49 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.599 106.0 41.9 -76.3 -10.8 17.3 -7.4 -10.4 18 18 A F T < + 0 0 18 -3,-1.8 -1,-0.2 -4,-0.2 5,-0.2 -0.137 68.8 121.1-132.4 38.9 14.5 -10.0 -10.8 19 19 A T < + 0 0 110 -3,-0.8 -1,-0.1 4,-0.1 -2,-0.1 0.781 57.3 93.1 -66.6 -30.7 11.7 -8.8 -8.5 20 20 A A S > S- 0 0 55 1,-0.1 3,-1.6 -4,-0.1 4,-0.3 -0.314 91.3 -89.5 -72.0 149.1 9.3 -8.6 -11.5 21 21 A A T 3 S- 0 0 95 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 -0.334 107.0 -5.4 -55.6 126.7 6.9 -11.3 -12.7 22 22 A D T 3 S+ 0 0 85 1,-0.1 -1,-0.3 -4,-0.1 -3,-0.1 0.671 97.4 120.1 60.0 24.0 8.6 -13.6 -15.3 23 23 A S < + 0 0 41 -3,-1.6 -2,-0.1 -5,-0.2 -1,-0.1 0.559 33.1 127.0 -91.0 -12.4 11.7 -11.5 -15.4 24 24 A F + 0 0 29 -4,-0.3 2,-0.3 -6,-0.2 -6,-0.0 -0.203 29.1 174.9 -57.4 135.7 14.2 -14.3 -14.2 25 25 A D > - 0 0 49 1,-0.1 4,-2.5 60,-0.0 3,-0.3 -0.887 17.0-158.5-142.6 100.7 17.1 -14.9 -16.5 26 26 A H H > S+ 0 0 26 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.804 88.9 53.3 -58.9 -35.1 19.5 -17.4 -14.9 27 27 A K H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 112.5 43.5 -66.7 -43.6 22.6 -16.4 -16.9 28 28 A K H > S+ 0 0 100 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.880 114.6 51.7 -68.8 -36.0 22.2 -12.8 -15.9 29 29 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 6,-0.2 0.940 109.2 48.5 -65.2 -45.9 21.5 -13.8 -12.3 30 30 A F H X>S+ 0 0 0 -4,-2.8 5,-1.5 1,-0.2 6,-0.7 0.873 112.3 50.4 -63.6 -37.2 24.6 -16.0 -12.1 31 31 A Q H ><5S+ 0 0 83 -4,-2.1 3,-0.8 -5,-0.2 -1,-0.2 0.948 114.3 43.4 -58.7 -52.1 26.7 -13.2 -13.5 32 32 A M H 3<5S+ 0 0 64 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.874 108.4 57.1 -64.9 -40.1 25.3 -10.7 -11.0 33 33 A V H 3<5S- 0 0 0 -4,-2.8 -26,-0.3 -5,-0.2 -1,-0.2 0.601 114.3-111.6 -74.0 -12.0 25.5 -13.0 -8.0 34 34 A G T X<5S+ 0 0 3 -3,-0.8 3,-1.4 -4,-0.6 4,-0.4 0.496 76.5 132.2 97.0 7.6 29.3 -13.5 -8.5 35 35 A L G > < + 0 0 1 -5,-1.5 3,-0.9 1,-0.3 -4,-0.2 0.774 64.7 61.1 -65.3 -30.2 29.0 -17.2 -9.5 36 36 A K G 3 S+ 0 0 104 -6,-0.7 -1,-0.3 1,-0.2 -5,-0.1 0.650 100.1 58.6 -69.7 -16.6 31.3 -16.9 -12.6 37 37 A K G < S+ 0 0 166 -3,-1.4 -1,-0.2 -6,-0.1 -2,-0.2 0.656 87.8 100.8 -82.6 -17.3 34.1 -15.8 -10.2 38 38 A K S < S- 0 0 68 -3,-0.9 -32,-0.0 -4,-0.4 -4,-0.0 -0.364 75.8-114.3 -76.7 146.7 33.9 -19.0 -8.1 39 39 A S > - 0 0 65 1,-0.1 4,-2.1 -2,-0.1 5,-0.2 -0.258 36.7-103.6 -61.0 161.9 36.3 -22.0 -8.4 40 40 A A H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.858 123.7 55.0 -60.1 -33.9 34.8 -25.3 -9.7 41 41 A D H > S+ 0 0 92 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.885 108.5 47.0 -67.3 -39.3 34.8 -26.6 -6.1 42 42 A D H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.837 107.9 55.7 -70.9 -33.9 32.8 -23.6 -4.8 43 43 A V H X S+ 0 0 12 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.900 109.1 48.3 -63.3 -37.6 30.3 -23.9 -7.7 44 44 A K H X S+ 0 0 95 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.894 108.1 53.6 -68.9 -39.3 29.7 -27.5 -6.6 45 45 A K H X S+ 0 0 102 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.863 106.9 53.2 -61.5 -37.6 29.3 -26.3 -3.0 46 46 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-0.2 0.927 106.3 52.6 -59.5 -49.2 26.6 -23.9 -4.3 47 47 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.869 106.1 54.1 -51.8 -44.3 24.8 -26.8 -5.9 48 48 A H H < S+ 0 0 93 -4,-1.9 -1,-0.2 2,-0.2 6,-0.2 0.878 106.7 50.0 -67.5 -32.8 24.8 -28.7 -2.7 49 49 A I H < S+ 0 0 52 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.917 111.1 50.0 -65.7 -40.2 23.1 -25.8 -0.8 50 50 A L H < S+ 0 0 3 -4,-1.9 2,-2.0 1,-0.2 -2,-0.2 0.746 89.9 83.3 -73.9 -24.8 20.5 -25.6 -3.5 51 51 A D >< + 0 0 3 -4,-1.7 3,-1.3 1,-0.2 -1,-0.2 -0.592 67.1 179.5 -74.2 79.6 19.9 -29.3 -3.2 52 52 A K T 3 S+ 0 0 75 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.837 73.2 38.5 -62.0 -39.7 17.6 -28.7 -0.3 53 53 A D T 3 S- 0 0 93 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.359 105.4-122.3 -94.9 5.3 16.6 -32.3 0.5 54 54 A K < + 0 0 135 -3,-1.3 -2,-0.1 -6,-0.2 4,-0.1 0.783 66.1 139.6 59.4 31.8 20.1 -33.7 -0.2 55 55 A S S S- 0 0 45 2,-0.4 -1,-0.1 1,-0.0 3,-0.1 0.606 73.8-114.3 -73.7 -13.2 18.9 -36.1 -2.9 56 56 A G S S+ 0 0 31 1,-0.3 43,-0.5 -8,-0.1 2,-0.3 0.451 91.1 77.0 88.6 2.6 22.0 -35.3 -4.9 57 57 A F S S- 0 0 70 41,-0.1 2,-0.8 -9,-0.1 -2,-0.4 -0.982 81.1-122.3-137.8 149.1 19.9 -33.6 -7.6 58 58 A I B -A 97 0A 2 39,-3.0 39,-2.8 -2,-0.3 -7,-0.1 -0.858 38.4-163.6 -90.7 107.2 18.0 -30.4 -7.9 59 59 A E >> - 0 0 40 -2,-0.8 4,-1.6 37,-0.2 3,-0.6 -0.264 36.4 -89.5 -85.2 173.1 14.4 -31.4 -8.6 60 60 A E H 3> S+ 0 0 116 35,-0.3 4,-2.1 1,-0.3 3,-0.4 0.868 125.9 52.2 -55.8 -44.4 11.6 -29.2 -10.0 61 61 A D H 3> S+ 0 0 103 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.847 109.0 51.0 -60.1 -38.2 10.5 -27.9 -6.6 62 62 A E H <4 S+ 0 0 2 -3,-0.6 -1,-0.2 2,-0.2 -2,-0.2 0.740 106.1 54.3 -75.0 -25.9 14.0 -26.9 -5.7 63 63 A L H >< S+ 0 0 2 -4,-1.6 3,-1.9 -3,-0.4 4,-0.3 0.924 106.0 53.4 -66.3 -46.8 14.4 -25.0 -8.9 64 64 A G H 3< S+ 0 0 10 -4,-2.1 13,-3.2 1,-0.3 3,-0.3 0.886 115.9 39.4 -48.9 -41.9 11.2 -23.2 -7.9 65 65 A S T >X S+ 0 0 38 -4,-1.5 4,-0.9 11,-0.2 3,-0.8 0.166 80.8 117.8 -96.0 13.6 12.9 -22.3 -4.6 66 66 A I H X> S+ 0 0 4 -3,-1.9 3,-0.9 1,-0.2 4,-0.5 0.862 73.0 52.7 -53.9 -41.2 16.4 -21.6 -6.1 67 67 A L H >> S+ 0 0 1 -3,-0.3 4,-2.3 8,-0.3 3,-1.2 0.829 99.6 62.4 -67.0 -33.6 16.4 -18.0 -5.0 68 68 A K H <4 S+ 0 0 81 -3,-0.8 -1,-0.3 1,-0.3 -2,-0.2 0.742 94.2 64.4 -60.7 -27.0 15.6 -18.8 -1.4 69 69 A G H << S+ 0 0 22 -3,-0.9 -67,-0.4 -4,-0.9 -1,-0.3 0.814 108.3 39.9 -63.7 -31.1 18.9 -20.8 -1.4 70 70 A F H << S+ 0 0 7 -3,-1.2 2,-0.3 -4,-0.5 -2,-0.2 0.886 140.6 3.3 -85.2 -47.0 20.7 -17.4 -1.9 71 71 A S >< - 0 0 39 -4,-2.3 3,-2.1 -60,-0.1 -1,-0.3 -0.955 68.4-141.4-142.8 124.1 18.5 -15.4 0.4 72 72 A S T 3 S+ 0 0 106 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.707 101.0 55.3 -58.2 -25.0 15.7 -17.1 2.5 73 73 A D T 3 S+ 0 0 135 -6,-0.1 -1,-0.3 -5,-0.1 -5,-0.1 0.509 84.4 117.5 -86.1 -5.2 13.3 -14.2 2.0 74 74 A A < - 0 0 7 -3,-2.1 -6,-0.1 -7,-0.2 -55,-0.0 -0.209 69.2-101.8 -66.9 152.0 13.6 -14.3 -1.8 75 75 A R - 0 0 67 1,-0.1 -8,-0.3 -8,-0.1 2,-0.2 -0.226 33.2-107.4 -65.2 158.3 10.5 -15.1 -4.0 76 76 A D - 0 0 82 -9,-0.1 2,-0.2 -10,-0.1 -11,-0.2 -0.555 34.9-108.6 -72.5 151.0 9.8 -18.4 -5.7 77 77 A L - 0 0 10 -13,-3.2 -1,-0.1 -14,-0.2 -56,-0.1 -0.593 42.0-109.8 -68.5 143.2 10.3 -18.7 -9.4 78 78 A S > - 0 0 40 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.267 30.4-100.8 -67.4 164.1 6.9 -19.0 -11.1 79 79 A A H > S+ 0 0 87 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.879 126.4 48.3 -50.5 -40.8 5.9 -22.3 -12.7 80 80 A K H > S+ 0 0 121 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.919 111.1 48.1 -70.0 -47.2 6.9 -20.8 -16.1 81 81 A E H > S+ 0 0 12 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.886 112.7 50.4 -59.1 -41.4 10.3 -19.5 -14.9 82 82 A T H X S+ 0 0 7 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.920 108.6 50.5 -62.8 -48.4 10.9 -23.0 -13.3 83 83 A K H X S+ 0 0 129 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.864 110.8 51.7 -54.9 -40.9 10.0 -24.9 -16.6 84 84 A T H X S+ 0 0 35 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.915 110.7 45.6 -65.7 -45.4 12.4 -22.6 -18.5 85 85 A L H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 5,-0.2 0.894 113.0 50.7 -69.0 -40.1 15.3 -23.2 -16.1 86 86 A M H X S+ 0 0 24 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.948 110.4 49.9 -59.9 -48.4 14.6 -27.0 -16.1 87 87 A A H < S+ 0 0 24 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.882 113.3 46.8 -55.5 -42.8 14.6 -27.0 -19.9 88 88 A A H < S+ 0 0 39 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.869 121.9 34.0 -66.3 -39.0 17.9 -25.1 -20.0 89 89 A G H < S+ 0 0 2 -4,-2.2 2,-2.2 1,-0.1 3,-0.2 0.771 92.5 85.7 -91.9 -29.7 19.7 -27.2 -17.5 90 90 A D >< + 0 0 31 -4,-2.9 3,-0.9 -5,-0.2 -1,-0.1 -0.456 47.5 161.7 -85.1 77.2 18.4 -30.7 -17.9 91 91 A K T 3 S+ 0 0 96 -2,-2.2 -1,-0.2 1,-0.2 6,-0.1 0.804 71.5 44.7 -64.2 -36.5 20.7 -31.8 -20.7 92 92 A D T 3 S- 0 0 103 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.388 105.3-119.5 -96.5 2.5 20.2 -35.6 -20.3 93 93 A G S < S+ 0 0 61 -3,-0.9 -2,-0.1 1,-0.1 -3,-0.1 0.625 71.5 134.1 69.1 15.7 16.4 -35.6 -20.0 94 94 A S S S- 0 0 51 2,-0.2 3,-0.1 1,-0.1 -1,-0.1 0.655 70.9-123.1 -69.4 -16.3 16.6 -37.1 -16.5 95 95 A G S S+ 0 0 44 1,-0.2 -35,-0.3 -9,-0.1 2,-0.3 0.526 83.3 65.1 85.6 6.5 14.0 -34.6 -15.4 96 96 A K S S- 0 0 54 -37,-0.1 2,-0.7 -10,-0.1 -2,-0.2 -0.942 88.6 -98.1-147.8 169.6 16.2 -33.1 -12.6 97 97 A I B -A 58 0A 0 -39,-2.8 -39,-3.0 -2,-0.3 2,-0.1 -0.828 32.0-161.8-101.7 114.6 19.5 -31.3 -12.4 98 98 A E > - 0 0 32 -2,-0.7 4,-1.6 -41,-0.2 3,-0.3 -0.468 37.2-101.9 -82.4 160.5 22.6 -33.3 -11.6 99 99 A V H > S+ 0 0 51 -43,-0.5 4,-2.4 1,-0.2 5,-0.2 0.872 122.4 54.2 -53.8 -40.0 25.8 -31.5 -10.3 100 100 A E H > S+ 0 0 154 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.920 107.1 52.0 -61.8 -41.8 27.5 -31.7 -13.7 101 101 A E H > S+ 0 0 13 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.849 108.3 51.1 -61.9 -33.8 24.4 -30.0 -15.3 102 102 A F H X S+ 0 0 2 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.925 107.0 52.6 -71.0 -43.0 24.6 -27.2 -12.7 103 103 A S H X S+ 0 0 39 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.895 111.5 47.8 -57.7 -38.1 28.3 -26.6 -13.4 104 104 A T H X S+ 0 0 50 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.889 106.4 56.7 -70.2 -42.7 27.4 -26.3 -17.1 105 105 A L H < S+ 0 0 12 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.924 114.6 39.6 -51.2 -47.1 24.5 -23.9 -16.3 106 106 A V H >< S+ 0 0 6 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.914 114.1 51.6 -71.0 -45.4 27.1 -21.7 -14.5 107 107 A A H 3< S+ 0 0 74 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.799 109.5 50.3 -63.9 -32.0 29.9 -22.0 -17.0 108 108 A E T 3< 0 0 118 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.356 360.0 360.0 -90.1 3.0 27.7 -21.2 -20.0 109 109 A S < 0 0 22 -3,-1.4 -81,-0.1 -5,-0.1 -82,-0.1 -0.412 360.0 360.0 -81.4 360.0 26.4 -18.0 -18.2 110 !* 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 0.0 111 1 B S >> 0 0 84 0, 0.0 3,-0.9 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 148.0 17.5 -24.3 -47.6 112 2 B M H >> + 0 0 11 67,-0.3 4,-2.0 1,-0.2 3,-0.8 0.833 360.0 58.8 -60.9 -34.5 16.7 -25.2 -43.9 113 3 B T H 34 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.2 5,-0.2 0.699 100.8 56.0 -73.4 -20.1 18.0 -28.8 -44.4 114 4 B D H <4 S+ 0 0 138 -3,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.675 114.3 40.6 -76.9 -20.7 21.4 -27.4 -45.5 115 5 B L H << S+ 0 0 21 -3,-0.8 2,-0.3 -4,-0.6 -2,-0.2 0.750 120.8 31.6 -98.8 -31.7 21.7 -25.5 -42.2 116 6 B L S < S- 0 0 9 -4,-2.0 2,-0.2 64,-0.1 -1,-0.2 -0.920 85.7 -95.1-134.0 156.0 20.2 -28.0 -39.7 117 7 B S > - 0 0 54 26,-0.4 4,-2.4 -2,-0.3 5,-0.2 -0.501 22.4-142.2 -71.4 131.3 20.0 -31.8 -39.2 118 8 B A H > S+ 0 0 71 -2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.851 104.9 51.9 -56.2 -38.9 16.8 -33.5 -40.5 119 9 B E H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.871 109.4 48.7 -68.2 -39.7 16.9 -35.8 -37.4 120 10 B D H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.883 111.8 49.3 -63.7 -42.8 17.2 -32.8 -35.1 121 11 B I H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.917 110.9 51.5 -61.6 -43.4 14.3 -31.1 -36.9 122 12 B K H X S+ 0 0 157 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 113.3 43.0 -59.7 -49.2 12.2 -34.3 -36.6 123 13 B K H X S+ 0 0 125 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.890 115.5 49.1 -63.3 -44.7 12.8 -34.6 -32.8 124 14 B A H >< S+ 0 0 0 -4,-2.4 3,-0.5 2,-0.2 4,-0.3 0.934 114.2 43.9 -64.8 -48.5 12.3 -30.9 -32.1 125 15 B I H >< S+ 0 0 27 -4,-2.8 3,-1.8 1,-0.2 -2,-0.2 0.927 110.6 56.9 -61.6 -44.5 9.0 -30.8 -34.1 126 16 B G H >< S+ 0 0 43 -4,-2.3 3,-0.8 -5,-0.3 -1,-0.2 0.759 97.3 62.6 -58.5 -27.7 7.8 -34.1 -32.5 127 17 B A T << S+ 0 0 52 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.517 107.8 42.4 -80.0 -5.3 8.2 -32.7 -29.0 128 18 B F T < + 0 0 13 -3,-1.8 -1,-0.2 -4,-0.3 5,-0.2 -0.060 69.0 115.2-133.0 34.4 5.6 -30.0 -29.6 129 19 B T < + 0 0 106 -3,-0.8 -2,-0.1 4,-0.1 -1,-0.1 0.814 57.2 95.2 -71.6 -29.4 2.7 -31.6 -31.5 130 20 B A S > S- 0 0 61 1,-0.1 3,-1.5 -3,-0.1 4,-0.2 -0.337 91.6 -93.8 -65.0 140.5 0.3 -31.1 -28.5 131 21 B A T 3 S+ 0 0 89 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.267 103.4 4.0 -59.1 139.4 -1.8 -27.9 -28.7 132 22 B D T 3 S+ 0 0 101 1,-0.1 -1,-0.2 -3,-0.1 -2,-0.1 0.621 96.2 116.9 59.6 21.9 -0.4 -24.8 -26.9 133 23 B S < + 0 0 40 -3,-1.5 -2,-0.1 -5,-0.2 -1,-0.1 0.528 33.8 131.7 -90.9 -9.0 2.8 -26.6 -26.1 134 24 B F + 0 0 29 -4,-0.2 2,-0.4 -6,-0.1 -6,-0.0 -0.178 26.3 174.7 -63.1 135.8 5.2 -24.5 -28.0 135 25 B D > - 0 0 32 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.928 16.1-161.0-137.9 107.7 8.3 -23.2 -26.3 136 26 B H H > S+ 0 0 24 -2,-0.4 4,-3.0 1,-0.2 5,-0.2 0.851 88.0 53.5 -63.8 -34.8 10.7 -21.4 -28.6 137 27 B K H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.955 113.0 41.8 -66.7 -49.7 13.8 -21.8 -26.3 138 28 B K H > S+ 0 0 86 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.907 116.7 51.1 -61.7 -42.7 13.5 -25.6 -26.0 139 29 B F H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.2 0.956 110.6 45.9 -58.0 -54.0 12.6 -25.8 -29.7 140 30 B F H X>S+ 0 0 0 -4,-3.0 5,-1.8 1,-0.2 6,-0.7 0.853 114.8 49.1 -61.8 -38.0 15.6 -23.7 -30.9 141 31 B Q H ><5S+ 0 0 89 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.2 0.948 114.2 44.7 -60.5 -48.6 17.9 -25.7 -28.6 142 32 B M H 3<5S+ 0 0 48 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.887 109.3 54.6 -69.3 -39.3 16.6 -29.1 -29.7 143 33 B V H 3<5S- 0 0 0 -4,-3.0 -26,-0.4 -5,-0.2 -1,-0.3 0.677 117.1-112.3 -70.9 -15.2 16.7 -28.2 -33.5 144 34 B G T X<5S+ 0 0 4 -3,-0.7 3,-1.4 -4,-0.7 4,-0.3 0.562 74.7 134.5 98.0 12.3 20.4 -27.3 -33.1 145 35 B L G > < + 0 0 0 -5,-1.8 3,-1.2 1,-0.3 -4,-0.2 0.778 66.3 64.3 -65.8 -28.7 20.1 -23.5 -33.7 146 36 B K G 3 S+ 0 0 85 -6,-0.7 -1,-0.3 1,-0.2 -5,-0.1 0.700 98.1 57.9 -64.7 -19.9 22.4 -22.7 -30.7 147 37 B K G < S+ 0 0 169 -3,-1.4 -1,-0.2 -6,-0.1 -2,-0.2 0.551 88.2 101.5 -83.9 -10.5 25.2 -24.5 -32.6 148 38 B K S < S- 0 0 64 -3,-1.2 -32,-0.0 -4,-0.3 -4,-0.0 -0.482 75.6-113.9 -83.2 148.8 24.9 -22.2 -35.6 149 39 B S > - 0 0 65 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.242 36.0-103.8 -62.4 161.4 27.3 -19.3 -36.4 150 40 B A H > S+ 0 0 65 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.883 124.9 55.5 -56.3 -37.1 25.8 -15.8 -36.3 151 41 B D H > S+ 0 0 100 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 107.9 45.1 -65.2 -41.0 25.8 -15.9 -40.1 152 42 B D H > S+ 0 0 44 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.849 107.4 58.1 -72.7 -34.2 23.7 -19.1 -40.2 153 43 B V H X S+ 0 0 12 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.937 108.3 48.4 -58.3 -43.7 21.3 -17.8 -37.6 154 44 B K H X S+ 0 0 84 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.889 106.8 54.6 -62.9 -40.2 20.7 -14.9 -40.0 155 45 B K H X S+ 0 0 107 -4,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.882 107.5 51.9 -61.0 -39.5 20.2 -17.3 -42.9 156 46 B V H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.937 107.3 52.5 -60.3 -47.0 17.5 -19.0 -40.9 157 47 B F H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 107.3 51.4 -55.3 -45.4 15.8 -15.7 -40.2 158 48 B H H < S+ 0 0 80 -4,-2.2 6,-0.2 1,-0.2 -1,-0.2 0.856 109.3 49.9 -67.5 -32.9 15.7 -14.8 -43.9 159 49 B I H < S+ 0 0 54 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.927 110.7 49.0 -66.7 -46.2 14.1 -18.2 -44.8 160 50 B L H < S+ 0 0 4 -4,-2.4 2,-2.0 1,-0.2 -2,-0.2 0.796 94.0 80.7 -65.1 -27.7 11.4 -17.7 -42.1 161 51 B D >< + 0 0 1 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 -0.556 67.0 177.5 -73.7 78.4 10.9 -14.2 -43.6 162 52 B K T 3 S+ 0 0 130 -2,-2.0 -1,-0.2 1,-0.3 6,-0.1 0.805 75.0 39.9 -63.2 -34.9 8.7 -15.7 -46.3 163 53 B D T 3 S- 0 0 98 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.409 103.2-128.2 -93.9 4.2 7.8 -12.4 -48.0 164 54 B K < + 0 0 129 -3,-1.6 -2,-0.1 -6,-0.2 4,-0.1 0.811 61.0 142.7 50.8 39.2 11.3 -10.9 -47.5 165 55 B S S S- 0 0 46 2,-0.4 -1,-0.1 1,-0.0 3,-0.1 0.641 74.2-110.0 -74.7 -18.0 9.9 -7.8 -45.9 166 56 B G S S+ 0 0 30 1,-0.3 43,-0.4 -8,-0.1 2,-0.3 0.326 93.6 73.4 99.6 -1.9 13.0 -7.8 -43.6 167 57 B F S S- 0 0 63 41,-0.1 2,-0.9 -9,-0.1 -2,-0.4 -0.974 79.9-123.4-139.7 149.5 10.8 -8.8 -40.6 168 58 B I B -B 207 0B 2 39,-2.3 39,-2.6 -2,-0.3 -7,-0.1 -0.874 37.8-165.2 -93.1 105.4 8.9 -11.8 -39.4 169 59 B E > - 0 0 42 -2,-0.9 4,-2.0 37,-0.2 3,-0.5 -0.286 38.0 -85.5 -80.2 174.1 5.3 -10.6 -39.0 170 60 B E H > S+ 0 0 86 35,-0.3 4,-2.2 1,-0.2 5,-0.2 0.868 125.5 51.4 -51.4 -44.6 2.6 -12.4 -37.1 171 61 B D H > S+ 0 0 110 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.865 112.2 46.0 -66.1 -35.1 1.6 -14.7 -39.9 172 62 B E H 4 S+ 0 0 5 -3,-0.5 -1,-0.2 2,-0.2 -2,-0.2 0.772 109.1 57.0 -74.9 -28.4 5.1 -15.9 -40.6 173 63 B L H >< S+ 0 0 2 -4,-2.0 3,-1.3 1,-0.2 -2,-0.2 0.921 107.2 47.1 -69.2 -41.4 5.6 -16.3 -36.9 174 64 B G H 3< S+ 0 0 8 -4,-2.2 13,-2.7 1,-0.3 3,-0.3 0.741 112.4 51.4 -68.1 -24.1 2.7 -18.7 -36.8 175 65 B S T >X S+ 0 0 20 -4,-1.0 4,-0.9 11,-0.2 3,-0.7 0.269 78.6 112.9 -92.5 9.9 4.1 -20.5 -39.8 176 66 B I H X> S+ 0 0 4 -3,-1.3 3,-0.9 1,-0.3 4,-0.6 0.847 71.4 51.2 -56.4 -43.7 7.5 -20.9 -38.2 177 67 B L H >> S+ 0 0 3 -3,-0.3 4,-2.4 8,-0.3 3,-0.9 0.827 102.7 61.1 -65.9 -31.3 7.6 -24.7 -37.8 178 68 B K H <4 S+ 0 0 78 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.765 94.3 64.4 -66.2 -26.3 6.7 -25.1 -41.5 179 69 B G H << S+ 0 0 26 -4,-0.9 -67,-0.3 -3,-0.9 -1,-0.3 0.824 109.6 38.4 -58.3 -34.0 10.0 -23.3 -42.2 180 70 B F H << S+ 0 0 8 -3,-0.9 2,-0.3 -4,-0.6 -2,-0.2 0.824 139.8 4.3 -90.6 -38.6 11.8 -26.2 -40.6 181 71 B S >< - 0 0 39 -4,-2.4 3,-2.3 -60,-0.1 -1,-0.3 -0.867 68.3-142.3-152.3 118.6 9.6 -29.0 -41.9 182 72 B S T 3 S+ 0 0 101 -2,-0.3 -4,-0.1 1,-0.3 -3,-0.1 0.637 98.2 55.5 -58.3 -21.6 6.7 -28.2 -44.4 183 73 B D T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -5,-0.0 -5,-0.1 0.441 84.4 115.2 -91.9 -0.2 4.3 -30.7 -42.9 184 74 B A S < S- 0 0 8 -3,-2.3 -6,-0.1 -7,-0.2 2,-0.0 -0.200 71.8 -97.7 -67.4 159.0 4.5 -29.3 -39.4 185 75 B R - 0 0 66 -60,-0.1 -8,-0.3 1,-0.1 2,-0.2 -0.340 33.8-110.6 -72.2 157.3 1.6 -27.7 -37.6 186 76 B D - 0 0 83 -9,-0.1 2,-0.3 -10,-0.1 -11,-0.2 -0.538 34.8-108.8 -72.2 152.0 0.9 -24.0 -37.5 187 77 B L - 0 0 9 -13,-2.7 -1,-0.1 -2,-0.2 -56,-0.0 -0.618 41.1-110.2 -72.1 144.5 1.3 -22.3 -34.1 188 78 B S > - 0 0 43 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.302 30.1-101.3 -68.5 163.8 -2.1 -21.3 -32.7 189 79 B A H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.898 125.6 49.1 -50.2 -41.4 -3.0 -17.6 -32.5 190 80 B K H > S+ 0 0 137 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.918 108.3 50.0 -70.8 -43.6 -2.2 -17.7 -28.8 191 81 B E H > S+ 0 0 10 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 111.8 51.4 -61.1 -34.4 1.2 -19.4 -29.2 192 82 B T H X S+ 0 0 5 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.915 106.9 51.0 -69.9 -44.1 2.0 -16.8 -31.8 193 83 B K H X S+ 0 0 120 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.911 111.8 50.6 -55.1 -41.8 1.0 -13.9 -29.4 194 84 B T H X S+ 0 0 71 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 112.1 44.1 -62.5 -46.0 3.3 -15.6 -26.9 195 85 B L H X S+ 0 0 2 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.877 112.6 52.5 -70.0 -39.4 6.3 -15.8 -29.2 196 86 B M H X S+ 0 0 22 -4,-2.8 4,-3.5 2,-0.2 -2,-0.2 0.916 110.3 48.6 -61.7 -41.8 5.8 -12.3 -30.5 197 87 B A H < S+ 0 0 65 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.880 110.9 51.0 -64.3 -40.2 5.8 -11.0 -26.9 198 88 B A H < S+ 0 0 29 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.843 122.9 30.3 -62.4 -38.2 8.9 -12.9 -26.2 199 89 B G H < S+ 0 0 3 -4,-1.8 2,-1.7 1,-0.1 -2,-0.2 0.812 99.0 78.6 -95.7 -36.4 10.7 -11.5 -29.3 200 90 B D >< + 0 0 31 -4,-3.5 3,-0.5 -5,-0.2 -1,-0.1 -0.536 45.5 150.6 -85.5 81.2 9.3 -8.0 -29.9 201 91 B K T 3 + 0 0 151 -2,-1.7 -1,-0.2 1,-0.2 -4,-0.1 0.410 67.2 55.2 -93.7 2.8 11.2 -6.0 -27.3 202 92 B D T 3 S- 0 0 98 -3,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.227 106.3-115.7-120.8 10.1 11.2 -2.7 -29.2 203 93 B G S < S+ 0 0 67 -3,-0.5 -2,-0.1 1,-0.1 -3,-0.1 0.667 74.1 130.0 67.4 24.5 7.5 -2.3 -29.9 204 94 B S S S- 0 0 45 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.667 70.4-125.3 -82.8 -16.4 7.7 -2.6 -33.6 205 95 B G S S+ 0 0 49 1,-0.2 -35,-0.3 -9,-0.1 2,-0.3 0.446 83.4 56.7 85.2 3.2 5.0 -5.2 -33.8 206 96 B K S S- 0 0 64 -37,-0.1 2,-0.6 -7,-0.1 -2,-0.3 -0.944 91.0 -89.3-155.0 170.3 7.2 -7.6 -35.7 207 97 B I B -B 168 0B 0 -39,-2.6 -39,-2.3 -2,-0.3 2,-0.1 -0.803 34.1-161.1 -97.5 116.4 10.5 -9.4 -35.4 208 98 B E > - 0 0 35 -2,-0.6 4,-1.7 -41,-0.2 5,-0.2 -0.399 37.6-101.5 -81.5 166.8 13.7 -7.8 -36.7 209 99 B V H > S+ 0 0 42 -43,-0.4 4,-2.6 1,-0.2 3,-0.3 0.915 123.6 55.0 -55.4 -46.5 16.9 -9.7 -37.4 210 100 B E H > S+ 0 0 152 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 107.2 50.8 -52.6 -43.1 18.4 -8.5 -34.1 211 101 B E H > S+ 0 0 13 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.829 108.7 49.5 -70.2 -34.4 15.4 -9.9 -32.2 212 102 B F H X S+ 0 0 3 -4,-1.7 4,-2.4 -3,-0.3 -1,-0.2 0.911 109.8 52.3 -68.9 -42.3 15.7 -13.3 -33.9 213 103 B S H X S+ 0 0 38 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.897 111.8 47.1 -57.1 -41.3 19.4 -13.4 -33.0 214 104 B T H X S+ 0 0 57 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.931 108.1 54.9 -65.9 -48.3 18.4 -12.6 -29.4 215 105 B L H < S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.923 114.4 41.2 -49.4 -48.4 15.7 -15.2 -29.4 216 106 B V H >< S+ 0 0 5 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.948 113.4 50.9 -69.1 -46.4 18.2 -17.9 -30.4 217 107 B A H 3< S+ 0 0 66 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.751 110.5 50.9 -64.4 -25.3 21.1 -16.7 -28.2 218 108 B E T 3< 0 0 91 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.340 360.0 360.0 -95.8 7.6 18.8 -16.7 -25.1 219 109 B S < 0 0 15 -3,-1.7 -81,-0.1 -5,-0.1 -82,-0.1 -0.201 360.0 360.0 -81.9 360.0 17.6 -20.3 -25.8