==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN 12-JUN-08 2VVY . COMPND 2 MOLECULE: PROTEIN B15; . SOURCE 2 ORGANISM_SCIENTIFIC: VACCINIA VIRUS; . AUTHOR S.C.GRAHAM,M.W.BAHAR,S.COORAY,R.A.-J.CHEN,D.M.WHALEN, . 568 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24364.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 388 68.3 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 . 0 0.0 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 . 4 0.7 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 . 17 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 48.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 12 0 4 0 5 3 4 0 0 0 0 4 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 . 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 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 8 A H 0 0 161 0, 0.0 2,-0.3 0, 0.0 36,-0.1 0.000 360.0 360.0 360.0 116.8 -41.3 6.8 35.5 2 9 A V - 0 0 26 397,-0.1 397,-0.1 34,-0.1 110,-0.0 -0.986 360.0 -71.5-145.2 149.3 -41.0 5.7 31.9 3 10 A F - 0 0 1 -2,-0.3 398,-0.1 395,-0.2 34,-0.1 -0.068 45.5-157.6 -45.3 130.1 -38.7 6.4 29.0 4 11 A S - 0 0 59 396,-0.3 398,-0.2 395,-0.0 -1,-0.1 -0.908 11.2-136.6-117.9 105.0 -39.2 10.0 27.7 5 12 A P > - 0 0 3 0, 0.0 3,-1.3 0, 0.0 4,-0.3 -0.256 17.0-125.2 -57.4 144.0 -38.1 10.6 24.1 6 13 A Q T 3 S+ 0 0 59 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.852 111.6 39.2 -57.8 -36.0 -36.2 13.9 23.6 7 14 A H T 3 S+ 0 0 18 1,-0.2 3,-0.4 2,-0.1 -1,-0.3 0.241 79.8 117.0-103.9 13.2 -38.6 14.9 20.8 8 15 A a S < S+ 0 0 12 -3,-1.3 33,-0.9 1,-0.3 36,-0.3 0.889 87.0 31.7 -44.3 -54.6 -41.8 13.5 22.5 9 16 A G S S+ 0 0 59 -4,-0.3 33,-0.3 -3,-0.3 -1,-0.3 0.651 96.3 117.6 -82.9 -16.0 -43.4 17.0 22.8 10 17 A C - 0 0 49 -3,-0.4 33,-1.5 31,-0.2 34,-0.6 -0.110 48.3-163.0 -58.7 147.0 -41.8 18.4 19.6 11 18 A D S S+ 0 0 59 30,-0.3 2,-0.3 31,-0.2 -1,-0.1 0.495 77.6 3.9-101.7 -12.2 -43.9 19.6 16.7 12 19 A R S S- 0 0 128 30,-0.1 2,-0.4 -5,-0.1 -1,-0.2 -0.969 71.9-110.7-160.8 166.6 -40.9 19.6 14.4 13 20 A L - 0 0 4 128,-2.1 3,-0.1 -2,-0.3 6,-0.0 -0.859 17.3-162.9-104.9 148.4 -37.2 18.8 14.1 14 21 A T S S+ 0 0 135 -2,-0.4 2,-0.2 1,-0.2 -1,-0.2 0.902 72.1 34.9 -92.3 -59.7 -34.6 21.5 13.8 15 22 A S > - 0 0 41 1,-0.1 3,-0.8 0, 0.0 -1,-0.2 -0.641 70.0-133.3 -96.8 154.3 -31.5 19.8 12.5 16 23 A I G > S+ 0 0 50 -2,-0.2 3,-0.7 1,-0.2 4,-0.3 0.558 105.7 72.6 -76.0 -9.0 -31.3 16.9 10.2 17 24 A D G 3 S+ 0 0 132 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.706 89.3 58.4 -78.0 -21.2 -28.9 15.5 12.7 18 25 A D G <> S+ 0 0 51 -3,-0.8 4,-2.0 1,-0.2 -1,-0.2 0.526 83.6 88.1 -81.7 -7.4 -31.8 14.8 15.1 19 26 A V H <> S+ 0 0 0 -3,-0.7 4,-2.2 1,-0.2 5,-0.2 0.890 88.2 42.9 -65.6 -42.9 -33.4 12.6 12.5 20 27 A R H > S+ 0 0 92 -4,-0.3 4,-2.3 -3,-0.3 -1,-0.2 0.918 115.3 47.6 -72.4 -43.4 -31.8 9.3 13.5 21 28 A Q H > S+ 0 0 43 -4,-0.5 4,-2.6 1,-0.2 5,-0.2 0.890 113.0 52.2 -60.9 -36.3 -32.1 9.7 17.3 22 29 A C H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.954 111.6 42.1 -67.6 -51.5 -35.7 10.7 16.8 23 30 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.896 115.0 53.3 -61.2 -41.8 -36.7 7.7 14.7 24 31 A T H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.956 111.4 42.9 -57.2 -54.5 -34.7 5.4 17.0 25 32 A E H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.821 111.2 57.5 -67.2 -29.6 -36.4 6.7 20.2 26 33 A Y H X S+ 0 0 7 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.961 109.1 44.3 -61.2 -52.1 -39.8 6.6 18.5 27 34 A I H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.852 115.2 48.2 -63.3 -37.5 -39.4 2.9 17.7 28 35 A Y H >< S+ 0 0 3 -4,-2.2 3,-1.8 1,-0.2 4,-0.5 0.928 110.3 51.9 -66.4 -45.3 -38.1 2.1 21.2 29 36 A W H ><>S+ 0 0 8 -4,-2.7 5,-1.3 1,-0.3 3,-0.7 0.832 99.2 65.1 -58.6 -34.5 -41.0 4.1 22.7 30 37 A S T 3<5S+ 0 0 3 -4,-2.0 -1,-0.3 1,-0.2 79,-0.2 0.564 87.8 74.8 -64.9 -8.2 -43.4 2.0 20.6 31 38 A S T < 5S- 0 0 1 -3,-1.8 -1,-0.2 -4,-0.2 -2,-0.2 0.924 130.2 -50.4 -70.0 -46.5 -42.4 -1.1 22.6 32 39 A Y T X 5S+ 0 0 7 -3,-0.7 3,-1.2 -4,-0.5 4,-0.3 0.336 120.0 86.6-167.9 -27.3 -44.2 -0.3 25.8 33 40 A A G >>5S+ 0 0 0 -5,-0.4 4,-1.9 -4,-0.3 3,-0.9 0.697 80.0 73.4 -65.6 -16.7 -43.4 3.3 26.9 34 41 A Y G 34 S- 0 0 4 -33,-0.9 4,-1.1 1,-0.1 -30,-0.3 0.047 72.8-121.2 -46.3 158.2 -46.5 16.8 19.4 42 49 A Q H > S+ 0 0 110 -33,-0.3 4,-2.2 2,-0.2 -31,-0.2 0.744 113.3 63.5 -71.8 -23.5 -47.2 17.3 15.7 43 50 A L H > S+ 0 0 2 -33,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.943 104.5 41.9 -64.7 -50.9 -44.0 15.3 15.1 44 51 A Y H > S+ 0 0 1 -34,-0.6 4,-2.1 -36,-0.3 -1,-0.2 0.752 110.5 59.2 -70.7 -23.3 -45.4 12.1 16.8 45 52 A S H X S+ 0 0 72 -4,-1.1 4,-1.4 2,-0.2 -2,-0.2 0.944 108.8 44.3 -65.0 -48.2 -48.7 12.7 15.0 46 53 A T H < S+ 0 0 40 -4,-2.2 3,-0.5 2,-0.2 4,-0.4 0.945 112.2 52.0 -60.0 -51.1 -46.9 12.5 11.7 47 54 A L H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.917 107.7 51.1 -52.6 -50.4 -44.8 9.5 12.7 48 55 A L H >< S+ 0 0 22 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.823 101.4 63.1 -59.9 -30.5 -47.8 7.5 13.8 49 56 A S T >X S+ 0 0 40 -4,-1.4 3,-1.6 -3,-0.5 4,-0.6 0.577 80.0 83.5 -70.9 -8.8 -49.4 8.3 10.4 50 57 A F H <> S+ 0 0 0 -3,-2.0 4,-2.1 -4,-0.4 49,-0.3 0.641 71.4 78.2 -69.2 -12.6 -46.6 6.3 8.8 51 58 A R H <> S+ 0 0 44 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.840 90.1 55.5 -59.9 -31.8 -48.7 3.3 9.5 52 59 A D H <> S+ 0 0 110 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.888 106.1 48.0 -68.7 -39.9 -50.7 4.4 6.5 53 60 A D H X S+ 0 0 22 -4,-0.6 4,-1.3 2,-0.2 43,-0.3 0.848 111.2 52.6 -69.1 -32.9 -47.6 4.4 4.3 54 61 A A H X S+ 0 0 0 -4,-2.1 4,-3.4 41,-0.2 3,-0.4 0.946 108.6 48.4 -64.4 -50.8 -46.8 0.9 5.7 55 62 A E H X S+ 0 0 62 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.837 109.8 54.9 -57.6 -33.7 -50.3 -0.5 4.8 56 63 A L H < S+ 0 0 102 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.859 118.4 31.9 -70.7 -33.9 -49.9 1.0 1.4 57 64 A V H < S+ 0 0 32 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.2 0.851 129.4 32.8 -93.3 -38.9 -46.6 -0.8 0.7 58 65 A F H < S- 0 0 5 -4,-3.4 2,-1.4 1,-0.2 -3,-0.2 0.323 88.0-149.4-104.8 6.6 -46.9 -4.0 2.6 59 66 A I S < S+ 0 0 131 -4,-0.9 2,-0.8 -5,-0.3 -1,-0.2 -0.413 82.5 26.6 64.7 -89.7 -50.7 -4.5 2.2 60 67 A D > + 0 0 57 -2,-1.4 4,-1.4 1,-0.2 5,-0.1 -0.817 66.8 175.5-107.4 95.3 -51.5 -6.3 5.4 61 68 A I H > S+ 0 0 0 -2,-0.8 4,-2.5 1,-0.2 5,-0.2 0.770 75.8 60.5 -72.1 -26.1 -48.9 -5.4 8.0 62 69 A R H > S+ 0 0 49 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.973 110.4 39.8 -61.7 -53.6 -50.5 -7.3 10.8 63 70 A E H > S+ 0 0 35 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.790 116.2 53.8 -67.0 -27.4 -50.2 -10.6 9.0 64 71 A L H X S+ 0 0 18 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.884 104.8 52.0 -75.0 -40.5 -46.8 -9.6 7.8 65 72 A V H < S+ 0 0 0 -4,-2.5 5,-0.2 1,-0.2 -2,-0.2 0.886 109.1 51.4 -62.6 -39.0 -45.4 -8.8 11.3 66 73 A K H < S+ 0 0 101 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.925 113.8 44.1 -63.8 -45.0 -46.5 -12.2 12.6 67 74 A N H < S+ 0 0 128 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.931 91.1 95.4 -65.2 -51.9 -44.8 -14.1 9.7 68 75 A X S < S- 0 0 9 -4,-2.3 2,-1.6 1,-0.1 3,-0.1 -0.007 82.4-113.3 -51.8 147.5 -41.5 -12.3 9.6 69 76 A P > + 0 0 32 0, 0.0 3,-2.2 0, 0.0 7,-0.4 -0.596 39.2 172.3 -82.1 78.9 -38.4 -13.7 11.4 70 77 A W T 3 S+ 0 0 3 -2,-1.6 3,-0.2 1,-0.3 50,-0.1 0.634 74.4 66.9 -69.0 -13.4 -37.9 -11.0 14.0 71 78 A D T 3 S+ 0 0 121 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.605 101.2 55.8 -74.2 -12.9 -35.3 -13.1 15.7 72 79 A D <> - 0 0 69 -3,-2.2 4,-2.1 1,-0.2 -1,-0.2 -0.844 61.9-178.4-128.5 95.7 -33.2 -12.6 12.6 73 80 A V H > S+ 0 0 23 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.909 83.8 53.8 -60.0 -46.6 -32.5 -8.9 11.6 74 81 A K H > S+ 0 0 100 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.883 111.3 45.7 -55.4 -43.3 -30.6 -9.7 8.4 75 82 A D H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.848 108.5 55.6 -73.4 -36.7 -33.4 -11.9 7.1 76 83 A C H X S+ 0 0 0 -4,-2.1 4,-2.5 -7,-0.4 -1,-0.2 0.911 107.0 51.2 -59.0 -43.1 -36.1 -9.4 8.0 77 84 A A H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.873 107.4 53.6 -62.6 -36.9 -34.1 -6.9 5.9 78 85 A E H < S+ 0 0 105 -4,-1.4 4,-0.3 2,-0.2 -1,-0.2 0.903 108.7 49.0 -63.0 -40.2 -34.1 -9.3 3.0 79 86 A I H >X S+ 0 0 46 -4,-2.0 3,-1.6 1,-0.2 4,-0.8 0.929 109.8 50.7 -66.5 -46.0 -37.8 -9.7 3.2 80 87 A I H >X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.3 3,-1.2 0.908 101.9 61.9 -56.6 -42.8 -38.4 -6.0 3.2 81 88 A R H 3< S+ 0 0 61 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.568 91.5 67.9 -66.6 -6.6 -36.1 -5.6 0.2 82 89 A C H <4 S+ 0 0 103 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.903 112.6 30.4 -70.8 -43.6 -38.6 -7.8 -1.7 83 90 A Y H << S+ 0 0 100 -3,-1.2 -2,-0.2 -4,-0.8 -3,-0.1 0.899 134.8 31.7 -79.4 -46.0 -41.1 -4.9 -1.4 84 91 A I S < S+ 0 0 1 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.1 -0.780 73.1 161.2-114.5 87.2 -38.5 -2.1 -1.5 85 92 A P + 0 0 81 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.886 43.8 83.0 -76.3 -43.7 -35.6 -3.5 -3.7 86 93 A D - 0 0 113 2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.228 68.9-139.7 -72.4 152.4 -33.7 -0.4 -4.7 87 94 A E S S+ 0 0 118 1,-0.1 2,-1.0 2,-0.1 43,-0.2 0.846 97.4 71.8 -74.5 -35.1 -31.0 1.3 -2.6 88 95 A Q S S- 0 0 173 44,-0.0 2,-0.2 45,-0.0 -2,-0.2 -0.741 80.1-170.1 -78.8 103.6 -32.5 4.6 -3.7 89 96 A K - 0 0 5 -2,-1.0 2,-0.2 -4,-0.1 -2,-0.1 -0.657 17.3-122.8 -97.3 153.9 -35.8 4.7 -1.8 90 97 A T > - 0 0 73 -2,-0.2 4,-2.5 1,-0.1 3,-0.3 -0.556 29.6-107.8 -90.3 158.5 -38.8 7.0 -2.2 91 98 A I H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.815 122.4 50.6 -55.9 -30.9 -40.2 9.2 0.6 92 99 A R H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.889 109.4 49.0 -72.8 -40.4 -43.2 6.9 0.7 93 100 A E H > S+ 0 0 47 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.862 110.7 51.2 -66.5 -37.6 -41.1 3.7 0.9 94 101 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.894 111.0 47.6 -68.2 -39.7 -39.0 5.2 3.7 95 102 A S H X S+ 0 0 0 -4,-1.5 4,-3.1 -5,-0.3 -41,-0.2 0.897 108.7 55.5 -65.7 -42.0 -42.1 6.0 5.7 96 103 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 -43,-0.3 -2,-0.2 0.925 106.9 50.4 -53.4 -47.4 -43.5 2.5 5.1 97 104 A I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.899 113.9 42.8 -61.5 -45.2 -40.3 1.1 6.6 98 105 A I H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.907 114.8 52.6 -65.6 -41.9 -40.5 3.2 9.7 99 106 A G H X S+ 0 0 3 -4,-3.1 4,-1.7 -49,-0.3 -2,-0.2 0.922 110.7 46.2 -59.2 -47.7 -44.3 2.5 9.9 100 107 A L H X S+ 0 0 0 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.903 112.8 49.1 -62.4 -44.7 -43.8 -1.2 9.7 101 108 A C H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.859 109.7 51.4 -67.3 -36.9 -41.0 -1.3 12.3 102 109 A A H X S+ 0 0 4 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.880 111.5 48.1 -67.0 -36.8 -43.0 0.8 14.8 103 110 A Y H X S+ 0 0 13 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.932 111.1 50.1 -68.2 -45.0 -46.0 -1.5 14.4 104 111 A A H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.877 108.8 53.5 -58.1 -38.6 -43.8 -4.6 14.8 105 112 A A H X S+ 0 0 0 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.863 111.7 44.2 -67.4 -35.7 -42.3 -3.0 18.0 106 113 A T H < S+ 0 0 25 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.910 113.4 51.2 -74.5 -43.0 -45.8 -2.5 19.4 107 114 A Y H < S+ 0 0 56 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.912 118.0 37.3 -57.1 -45.5 -46.9 -5.9 18.5 108 115 A W H < S+ 0 0 74 -4,-2.4 10,-0.4 -5,-0.2 -1,-0.2 0.605 96.2 102.7 -89.5 -13.0 -43.9 -7.6 20.0 109 116 A G < - 0 0 20 -4,-1.1 -77,-0.1 -79,-0.2 2,-0.1 -0.146 66.9-124.5 -67.2 162.9 -43.5 -5.5 23.1 110 117 A G - 0 0 17 3,-2.3 -1,-0.1 1,-0.1 5,-0.1 -0.252 31.6-102.7 -88.7-172.1 -44.5 -6.3 26.6 111 118 A E S S+ 0 0 10 -2,-0.1 -76,-0.2 1,-0.1 -2,-0.1 0.885 114.9 5.9 -83.8 -38.1 -46.8 -4.1 28.7 112 119 A D S S+ 0 0 46 1,-0.1 177,-0.1 2,-0.1 -80,-0.1 0.358 132.1 43.9-124.9 -0.5 -44.1 -2.6 30.8 113 120 A H S S- 0 0 40 -82,-0.2 -3,-2.3 175,-0.1 2,-0.1 -0.977 75.3-115.8-144.2 155.5 -41.0 -4.0 29.2 114 121 A P - 0 0 1 0, 0.0 176,-0.3 0, 0.0 2,-0.3 -0.426 26.3-140.5 -84.0 166.7 -39.5 -4.6 25.8 115 122 A T > - 0 0 38 -10,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.796 28.9-103.4-122.6 166.4 -38.7 -8.0 24.2 116 123 A S H > S+ 0 0 28 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.896 124.0 47.8 -53.6 -41.1 -35.9 -9.4 22.1 117 124 A N H > S+ 0 0 39 2,-0.2 4,-1.3 -9,-0.2 -1,-0.2 0.901 109.0 51.1 -69.5 -41.9 -38.2 -9.2 19.1 118 125 A S H > S+ 0 0 1 -10,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.862 112.0 48.4 -66.0 -35.9 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135 -2,-0.3 2,-0.2 1,-0.2 -1,-0.2 0.895 72.4 34.5 -93.1 -59.1 -76.8 -21.4 24.7 158 22 B S > - 0 0 39 1,-0.1 3,-0.7 0, 0.0 -1,-0.2 -0.641 69.9-133.3 -97.4 155.2 -76.8 -19.6 28.0 159 23 B I T > S+ 0 0 53 -2,-0.2 3,-0.9 1,-0.2 4,-0.4 0.579 105.8 72.3 -76.3 -10.6 -79.0 -16.7 29.0 160 24 B D T 3> S+ 0 0 121 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.715 89.7 58.5 -76.8 -21.4 -75.8 -15.3 30.4 161 25 B D H <> S+ 0 0 55 -3,-0.7 4,-1.4 1,-0.2 -1,-0.2 0.500 84.8 86.2 -81.3 -6.0 -74.6 -14.7 26.8 162 26 B V H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 5,-0.2 0.913 91.0 40.0 -68.7 -45.8 -77.6 -12.5 26.1 163 27 B R H > S+ 0 0 47 -4,-0.4 4,-2.5 -3,-0.3 5,-0.2 0.953 116.0 52.5 -66.0 -47.4 -76.2 -9.1 27.4 164 28 B Q H X S+ 0 0 17 -4,-0.6 4,-1.2 1,-0.2 -1,-0.2 0.746 112.3 47.4 -58.2 -27.0 -72.8 -9.9 25.9 165 29 B C H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.921 110.9 46.1 -84.7 -49.4 -74.5 -10.6 22.5 166 30 B L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.909 112.1 54.0 -60.1 -43.9 -76.8 -7.6 22.2 167 31 B T H X S+ 0 0 2 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-33,-0.9 4,-1.1 1,-0.1 -30,-0.3 0.023 72.4-122.1 -48.0 157.4 -75.7 -16.8 11.5 185 49 B Q H > S+ 0 0 113 -33,-0.3 4,-2.1 2,-0.2 -31,-0.2 0.747 113.1 63.6 -71.5 -23.4 -79.4 -17.3 12.1 186 50 B L H > S+ 0 0 2 -33,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.946 104.7 41.6 -64.1 -51.5 -78.9 -15.3 15.3 187 51 B Y H > S+ 0 0 1 -34,-0.6 4,-2.0 -36,-0.3 -1,-0.2 0.739 110.5 59.2 -70.7 -22.9 -77.8 -12.1 13.5 188 52 B S H X S+ 0 0 79 -4,-1.1 4,-1.3 2,-0.2 -1,-0.2 0.945 109.0 44.2 -65.7 -47.4 -80.6 -12.7 11.0 189 53 B T H < S+ 0 0 40 -4,-2.1 4,-0.4 2,-0.2 3,-0.4 0.938 112.1 52.0 -60.2 -51.2 -83.1 -12.6 13.8 190 54 B L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-0.2 0.923 107.9 50.9 -53.3 -49.9 -81.5 -9.5 15.4 191 55 B L H >< S+ 0 0 85 -4,-2.0 3,-1.6 1,-0.3 -1,-0.2 0.831 101.3 63.3 -60.5 -30.5 -81.6 -7.5 12.2 192 56 B S T >X S+ 0 0 41 -4,-1.3 3,-1.6 -3,-0.4 4,-0.6 0.597 80.3 82.9 -70.4 -10.6 -85.3 -8.4 11.8 193 57 B F H <> S+ 0 0 0 -3,-2.1 4,-2.1 -4,-0.4 49,-0.3 0.632 71.5 78.3 -68.0 -12.8 -85.9 -6.4 15.1 194 58 B R H <> S+ 0 0 120 -3,-1.6 4,-2.5 1,-0.2 -1,-0.3 0.855 90.1 55.6 -57.8 -33.9 -85.9 -3.4 12.8 195 59 B D H <> S+ 0 0 110 -3,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.889 106.3 47.7 -66.8 -40.6 -89.4 -4.6 12.0 196 60 B D H X S+ 0 0 22 -4,-0.6 4,-1.4 2,-0.2 43,-0.3 0.852 111.1 52.9 -69.5 -33.0 -90.4 -4.5 15.6 197 61 B A H X S+ 0 0 0 -4,-2.1 4,-3.3 41,-0.2 3,-0.5 0.948 108.4 48.5 -64.6 -50.0 -88.9 -1.1 15.9 198 62 B E H X S+ 0 0 66 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.828 109.8 54.9 -58.5 -32.5 -90.9 0.3 13.0 199 63 B L H < S+ 0 0 104 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.859 118.2 32.1 -70.8 -33.7 -94.0 -1.2 14.5 200 64 B V H < S+ 0 0 32 -4,-1.4 -2,-0.2 -3,-0.5 -3,-0.2 0.829 129.3 32.8 -95.2 -36.5 -93.5 0.6 17.8 201 65 B F H < S- 0 0 4 -4,-3.3 2,-1.3 1,-0.2 -3,-0.2 0.294 88.0-149.4-107.0 7.8 -91.9 3.9 16.8 202 66 B I S < S+ 0 0 133 -4,-0.8 2,-0.8 -5,-0.3 -1,-0.2 -0.398 82.4 26.5 63.3 -90.8 -93.6 4.2 13.5 203 67 B D > + 0 0 86 -2,-1.3 4,-1.3 1,-0.2 -1,-0.1 -0.817 66.8 175.4-106.1 95.4 -90.9 6.1 11.5 204 68 B I H > S+ 0 0 0 -2,-0.8 4,-2.5 2,-0.2 5,-0.2 0.774 75.9 60.7 -72.6 -26.0 -87.5 5.2 13.1 205 69 B R H > S+ 0 0 125 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.978 110.4 39.3 -61.0 -55.2 -85.5 7.1 10.5 206 70 B E H > S+ 0 0 35 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.777 116.4 54.1 -66.2 -25.7 -87.1 10.4 11.4 207 71 B L H X S+ 0 0 18 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.876 104.4 52.1 -77.5 -38.3 -87.0 9.5 15.0 208 72 B V H < S+ 0 0 0 -4,-2.5 5,-0.2 1,-0.2 -2,-0.2 0.888 109.0 51.4 -64.5 -39.3 -83.3 8.7 15.1 209 73 B K H < S+ 0 0 103 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.920 113.6 44.2 -62.6 -45.3 -82.5 12.1 13.6 210 74 B N H < S+ 0 0 130 -4,-1.4 -2,-0.2 -5,-0.1 -1,-0.2 0.933 91.1 95.5 -65.1 -51.7 -84.6 14.0 16.2 211 75 B X S < S- 0 0 10 -4,-2.3 2,-1.6 1,-0.1 3,-0.1 -0.010 82.4-113.3 -52.7 148.1 -83.5 12.3 19.4 212 76 B P > + 0 0 32 0, 0.0 3,-2.2 0, 0.0 7,-0.4 -0.595 39.3 172.0 -83.1 79.7 -80.8 13.7 21.6 213 77 B W T 3 S+ 0 0 4 -2,-1.6 3,-0.2 1,-0.3 50,-0.1 0.638 74.3 66.7 -68.9 -14.5 -78.1 11.1 21.2 214 78 B D T 3 S+ 0 0 113 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.589 101.4 55.8 -73.9 -12.5 -75.6 13.3 23.0 215 79 B D <> - 0 0 68 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 -0.842 61.8-179.0-128.9 95.1 -77.8 12.7 26.1 216 80 B V H > S+ 0 0 7 -2,-0.5 4,-2.3 1,-0.2 5,-0.2 0.909 83.7 54.2 -59.1 -47.0 -78.4 9.1 27.0 217 81 B K H > S+ 0 0 123 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.897 111.4 45.4 -54.0 -45.4 -80.7 9.9 30.0 218 82 B D H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.850 108.6 55.6 -71.4 -37.9 -83.0 12.0 27.8 219 83 B C H X S+ 0 0 0 -4,-2.2 4,-2.5 -7,-0.4 -1,-0.2 0.903 107.2 51.0 -58.7 -41.5 -83.1 9.4 25.0 220 84 B A H X S+ 0 0 1 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.891 107.5 53.4 -64.0 -38.0 -84.3 6.9 27.6 221 85 B E H < S+ 0 0 109 -4,-1.6 4,-0.3 -5,-0.2 -1,-0.2 0.906 109.0 49.1 -60.9 -41.6 -87.0 9.4 28.7 222 86 B I H >X S+ 0 0 46 -4,-2.2 3,-1.7 1,-0.2 4,-0.8 0.936 109.8 50.6 -64.5 -47.3 -88.2 9.7 25.1 223 87 B I H >X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.3 3,-1.3 0.917 101.9 61.9 -56.1 -44.9 -88.3 5.9 24.6 224 88 B R H 3< S+ 0 0 64 -4,-2.4 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83.9 53.7 -58.1 -48.4 -22.8 8.8 18.4 360 81 C K H > S+ 0 0 98 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 111.6 45.5 -53.5 -45.5 -20.7 9.7 15.4 361 82 C D H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.852 108.5 55.7 -71.3 -37.4 -18.4 11.8 17.5 362 83 C C H X S+ 0 0 0 -4,-2.2 4,-2.5 -7,-0.4 -1,-0.2 0.916 107.1 50.8 -58.5 -43.7 -18.1 9.2 20.3 363 84 C A H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.875 107.5 54.0 -61.2 -38.0 -16.9 6.7 17.7 364 85 C E H < S+ 0 0 109 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.902 108.9 48.5 -62.4 -40.1 -14.3 9.3 16.6 365 86 C I H >X S+ 0 0 47 -4,-2.1 3,-1.7 1,-0.2 4,-0.8 0.938 109.9 50.8 -66.2 -47.3 -13.1 9.6 20.2 366 87 C I H >X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.3 3,-1.3 0.919 101.8 62.1 -54.6 -46.0 -12.8 5.9 20.6 367 88 C R H 3< S+ 0 0 62 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.562 91.6 67.6 -63.0 -7.7 -10.9 5.6 17.4 368 89 C C H <4 S+ 0 0 104 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.907 112.6 30.8 -70.0 -44.5 -8.2 7.8 19.0 369 90 C Y H << S+ 0 0 98 -3,-1.3 -2,-0.2 -4,-0.8 -3,-0.1 0.910 134.9 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32.7 400 121 C P - 0 0 0 0, 0.0 -396,-0.3 0, 0.0 2,-0.3 -0.223 28.3-135.9 -66.1 167.8 -33.2 4.1 30.2 401 122 C T > - 0 0 37 -10,-0.1 4,-2.3 -398,-0.1 5,-0.2 -0.791 25.3-103.1-123.1 167.0 -32.2 7.6 28.9 402 123 C S H > S+ 0 0 29 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.903 123.8 47.7 -54.2 -41.4 -31.3 9.0 25.5 403 124 C N H > S+ 0 0 38 2,-0.2 4,-1.4 -9,-0.2 -1,-0.2 0.905 108.8 51.5 -68.9 -42.2 -27.6 8.8 26.5 404 125 C S H > S+ 0 0 1 -10,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.870 111.8 48.2 -65.2 -36.4 -27.7 5.3 27.9 405 126 C L H >X S+ 0 0 5 -4,-2.3 4,-1.2 1,-0.2 3,-1.1 0.909 105.5 58.4 -65.6 -43.3 -29.3 4.1 24.6 406 127 C N H 3X S+ 0 0 10 -4,-2.0 4,-2.1 1,-0.3 -2,-0.2 0.800 95.5 63.7 -59.3 -29.2 -26.7 6.0 22.6 407 128 C A H 3X S+ 0 0 0 -4,-1.4 4,-1.7 1,-0.2 -1,-0.3 0.871 101.0 53.1 -59.2 -37.4 -24.0 3.9 24.4 408 129 C L H > - 0 0 38 -2,-0.4 4,-1.5 -43,-0.2 3,-0.6 -0.462 45.9 -90.7-101.6-179.3 -18.1 -5.0 12.3 417 138 C Y H 3> S+ 0 0 171 1,-0.3 4,-1.3 2,-0.2 -2,-0.0 0.834 125.1 56.6 -65.9 -32.7 -18.8 -8.7 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-4,-2.1 3,-0.4 2,-0.2 4,-0.4 0.942 112.2 51.9 -61.4 -50.3 -55.6 14.2 34.8 476 54 D L H >< S+ 0 0 0 -4,-2.4 3,-2.1 1,-0.2 4,-0.2 0.919 107.8 51.1 -53.1 -50.2 -57.5 11.1 33.7 477 55 D L H >< S+ 0 0 68 -4,-2.1 3,-1.6 1,-0.3 -1,-0.2 0.830 101.4 62.9 -59.8 -31.5 -54.4 9.2 32.9 478 56 D S T >X S+ 0 0 42 -4,-1.3 3,-1.5 -3,-0.4 4,-0.6 0.577 80.4 83.5 -70.1 -9.1 -53.0 10.0 36.3 479 57 D F H <> S+ 0 0 0 -3,-2.1 4,-2.1 -4,-0.4 49,-0.3 0.652 71.6 77.7 -68.7 -14.7 -56.0 8.0 37.8 480 58 D R H <> S+ 0 0 69 -3,-1.6 4,-2.4 1,-0.2 -1,-0.3 0.843 90.1 55.9 -57.6 -32.7 -53.7 5.0 37.2 481 59 D D H <> S+ 0 0 109 -3,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.890 106.1 47.8 -67.0 -39.7 -52.0 6.2 40.4 482 60 D D H X S+ 0 0 21 -4,-0.6 4,-1.4 2,-0.2 43,-0.3 0.847 111.0 52.8 -70.8 -32.5 -55.2 6.1 42.3 483 61 D A H X S+ 0 0 0 -4,-2.1 4,-3.4 41,-0.2 3,-0.4 0.950 108.6 48.1 -64.6 -51.2 -55.9 2.7 41.0 484 62 D E H X S+ 0 0 61 -4,-2.4 4,-0.9 1,-0.2 -2,-0.2 0.833 110.0 54.8 -56.9 -34.6 -52.5 1.3 42.1 485 63 D L H < S+ 0 0 104 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.866 118.5 32.2 -70.0 -34.2 -53.1 2.9 45.5 486 64 D V H < S+ 0 0 30 -4,-1.4 -2,-0.2 -3,-0.4 -3,-0.2 0.836 129.5 32.5 -92.9 -37.8 -56.4 1.0 45.9 487 65 D F H < S- 0 0 3 -4,-3.4 2,-1.4 1,-0.2 -3,-0.2 0.327 88.0-149.3-105.7 6.2 -55.9 -2.3 44.1 488 66 D I S < S+ 0 0 130 -4,-0.9 2,-0.8 -5,-0.3 -1,-0.2 -0.424 82.6 26.4 65.0 -90.8 -52.2 -2.6 44.8 489 67 D D > + 0 0 71 -2,-1.4 4,-1.4 1,-0.2 -1,-0.1 -0.817 66.8 175.1-106.6 95.3 -51.1 -4.5 41.7 490 68 D I H > S+ 0 0 0 -2,-0.8 4,-2.5 2,-0.2 5,-0.2 0.781 75.7 60.9 -71.9 -27.2 -53.5 -3.6 38.9 491 69 D R H > S+ 0 0 34 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.979 110.3 39.5 -60.7 -55.3 -51.6 -5.5 36.2 492 70 D E H > S+ 0 0 88 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.790 116.3 54.0 -65.3 -27.7 -52.0 -8.8 38.0 493 71 D L H X S+ 0 0 17 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.883 104.5 52.3 -75.2 -39.2 -55.5 -7.9 39.0 494 72 D V H < S+ 0 0 0 -4,-2.5 5,-0.2 1,-0.2 -2,-0.2 0.885 109.1 51.0 -64.2 -38.5 -56.6 -7.1 35.4 495 73 D K H < S+ 0 0 77 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.926 113.8 44.5 -63.8 -44.9 -55.4 -10.5 34.2 496 74 D N H < S+ 0 0 108 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.934 91.0 94.7 -65.6 -52.4 -57.2 -12.4 37.0 497 75 D X S < S- 0 0 10 -4,-2.3 2,-1.5 1,-0.1 3,-0.1 -0.000 82.6-113.1 -51.2 148.8 -60.7 -10.7 36.9 498 76 D P > + 0 0 31 0, 0.0 3,-2.2 0, 0.0 7,-0.4 -0.612 39.1 172.2 -84.5 79.5 -63.5 -12.2 34.8 499 77 D W T 3 S+ 0 0 3 -2,-1.5 3,-0.2 1,-0.3 54,-0.1 0.645 74.3 67.1 -68.0 -14.9 -63.9 -9.5 32.1 500 78 D D T 3 S+ 0 0 112 1,-0.2 2,-0.5 -3,-0.1 -1,-0.3 0.608 101.2 55.8 -73.9 -12.8 -66.4 -11.7 30.3 501 79 D D <> - 0 0 61 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 -0.839 61.9-178.9-128.4 94.7 -68.7 -11.2 33.2 502 80 D V H > S+ 0 0 5 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.911 83.8 54.0 -59.3 -47.0 -69.4 -7.6 34.1 503 81 D K H > S+ 0 0 112 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.902 111.4 45.4 -53.9 -45.1 -71.7 -8.4 37.1 504 82 D D H > S+ 0 0 65 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.853 108.7 55.8 -71.6 -37.2 -68.9 -10.5 38.7 505 83 D C H X S+ 0 0 0 -4,-2.2 4,-2.5 -7,-0.4 -1,-0.2 0.909 106.9 50.9 -58.8 -43.2 -66.2 -7.9 38.0 506 84 D A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.883 107.7 53.6 -62.4 -37.2 -68.3 -5.4 39.9 507 85 D E H < S+ 0 0 107 -4,-1.5 4,-0.3 -5,-0.2 -1,-0.2 0.905 108.7 49.0 -63.0 -41.2 -68.6 -7.8 42.7 508 86 D I H >X S+ 0 0 47 -4,-2.1 3,-1.7 1,-0.2 4,-0.7 0.936 109.8 50.8 -64.4 -46.6 -64.8 -8.1 42.9 509 87 D I H >X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.3 3,-1.4 0.912 101.7 62.0 -56.6 -44.3 -64.3 -4.4 42.9 510 88 D R H 3< S+ 0 0 65 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.558 91.3 68.3 -65.0 -7.0 -66.8 -4.0 45.7 511 89 D C H <4 S+ 0 0 103 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.897 112.4 30.4 -69.8 -43.2 -64.4 -6.1 47.8 512 90 D Y H << S+ 0 0 100 -3,-1.4 -2,-0.2 -4,-0.7 -3,-0.1 0.903 134.8 31.5 -80.6 -46.1 -62.0 -3.2 47.6 513 91 D I S < S+ 0 0 1 -4,-2.7 -1,-0.3 1,-0.1 -2,-0.1 -0.780 73.4 161.4-115.3 85.4 -64.6 -0.4 47.5 514 92 D P + 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.876 43.8 83.0 -74.6 -44.9 -67.6 -1.9 49.5 515 93 D D - 0 0 109 2,-0.2 -2,-0.0 1,-0.1 0, 0.0 -0.228 69.2-139.4 -71.6 152.6 -69.7 1.2 50.3 516 94 D E S S+ 0 0 119 1,-0.1 2,-1.0 2,-0.1 43,-0.2 0.840 97.6 71.6 -75.4 -34.4 -72.2 2.8 48.0 517 95 D Q S S- 0 0 84 44,-0.0 2,-0.3 45,-0.0 -2,-0.2 -0.748 79.9-170.7 -78.6 103.9 -70.9 6.2 49.2 518 96 D K - 0 0 9 -2,-1.0 2,-0.2 -4,-0.1 -2,-0.1 -0.669 17.7-122.5 -98.7 153.6 -67.5 6.3 47.6 519 97 D T > - 0 0 74 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.559 29.7-107.6 -89.6 158.4 -64.6 8.7 48.1 520 98 D I H > S+ 0 0 71 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.823 122.6 50.7 -54.6 -32.1 -63.0 10.8 45.4 521 99 D R H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.896 109.3 49.1 -72.2 -41.1 -60.0 8.6 45.5 522 100 D E H > S+ 0 0 46 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.868 110.8 51.0 -65.3 -38.4 -62.0 5.4 45.3 523 101 D I H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.897 111.0 47.7 -66.2 -41.3 -63.9 6.8 42.3 524 102 D S H X S+ 0 0 0 -4,-1.6 4,-3.1 -5,-0.2 -41,-0.2 0.877 108.7 55.6 -65.9 -40.4 -60.6 7.7 40.5 525 103 D A H X S+ 0 0 0 -4,-2.2 4,-3.2 -43,-0.3 5,-0.2 0.933 107.0 50.1 -54.1 -48.5 -59.3 4.2 41.3 526 104 D I H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.904 114.1 42.8 -60.7 -45.0 -62.3 2.7 39.6 527 105 D I H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.915 114.7 52.6 -66.1 -43.3 -61.9 4.8 36.4 528 106 D G H X S+ 0 0 3 -4,-3.1 4,-1.7 -49,-0.3 -2,-0.2 0.920 110.9 46.0 -55.8 -48.5 -58.1 4.2 36.6 529 107 D L H X S+ 0 0 0 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.897 112.6 49.5 -64.0 -42.6 -58.6 0.4 36.8 530 108 D C H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.841 109.7 50.8 -69.4 -34.0 -61.1 0.3 34.0 531 109 D A H X S+ 0 0 6 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.852 111.4 48.5 -71.4 -34.3 -59.0 2.4 31.6 532 110 D Y H X S+ 0 0 15 -4,-1.7 4,-2.8 -5,-0.2 -2,-0.2 0.929 111.0 50.1 -68.8 -44.9 -56.0 0.1 32.3 533 111 D A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.879 108.7 53.6 -58.7 -39.1 -58.1 -3.0 31.7 534 112 D A H X S+ 0 0 0 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.863 111.5 44.2 -66.9 -37.0 -59.3 -1.5 28.4 535 113 D T H < S+ 0 0 23 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.902 113.3 51.5 -73.7 -42.1 -55.8 -0.9 27.2 536 114 D Y H < S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.915 117.7 37.3 -56.2 -46.5 -54.6 -4.3 28.3 537 115 D W H < S+ 0 0 72 -4,-2.5 10,-0.4 -5,-0.2 -1,-0.2 0.568 96.4 100.6 -90.6 -10.6 -57.5 -6.1 26.5 538 116 D G < - 0 0 17 -4,-1.0 -77,-0.1 -79,-0.2 2,-0.1 -0.173 67.2-122.6 -71.1 167.5 -57.7 -4.0 23.4 539 117 D G - 0 0 9 3,-2.4 -1,-0.1 1,-0.0 5,-0.1 -0.295 23.5-107.3 -97.4-172.5 -56.2 -4.9 20.0 540 118 D E S S+ 0 0 37 -2,-0.1 -79,-0.0 1,-0.1 -1,-0.0 0.626 117.6 17.1 -89.7 -15.2 -53.7 -3.1 17.8 541 119 D D S S+ 0 0 34 1,-0.3 -80,-0.1 -396,-0.1 -395,-0.1 0.407 131.4 10.0-136.2 -5.0 -56.4 -2.1 15.3 542 120 D H S S- 0 0 34 -82,-0.2 -3,-2.4 -397,-0.1 -1,-0.3 -0.960 76.2 -88.7-162.4 174.2 -59.8 -2.6 17.1 543 121 D P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.465 34.4-141.0 -87.7 165.8 -61.5 -3.3 20.5 544 122 D T > - 0 0 37 -10,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.790 29.7-102.3-123.9 166.4 -62.3 -6.7 22.0 545 123 D S H > S+ 0 0 26 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.899 124.1 47.4 -53.4 -41.7 -65.3 -8.1 23.9 546 124 D N H > S+ 0 0 37 2,-0.2 4,-1.3 -9,-0.2 -1,-0.2 0.892 108.8 51.6 -69.9 -41.0 -63.2 -7.8 27.1 547 125 D S H > S+ 0 0 1 -10,-0.4 4,-0.7 1,-0.2 -1,-0.2 0.885 111.8 48.3 -66.2 -37.7 -62.0 -4.2 26.4 548 126 D L H >X S+ 0 0 3 -4,-2.4 3,-1.2 1,-0.2 4,-1.2 0.917 105.6 58.4 -63.3 -44.5 -65.6 -3.1 25.9 549 127 D N H 3X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.791 95.4 63.7 -58.7 -28.4 -66.7 -4.9 29.1 550 128 D A H 3X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 -1,-0.3 0.874 101.0 53.3 -60.0 -37.4 -64.2 -2.7 31.0 551 129 D L H > - 0 0 42 -2,-0.4 4,-1.5 -43,-0.2 3,-0.6 -0.455 45.6 -91.2-100.6 179.5 -73.9 6.4 40.1 560 138 D Y H 3> S+ 0 0 181 1,-0.3 4,-1.3 2,-0.2 -2,-0.0 0.839 125.0 56.5 -65.4 -32.8 -74.9 10.1 39.6 561 139 D V H 3> S+ 0 0 70 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.821 105.1 53.3 -66.5 -30.4 -73.6 11.1 43.0 562 140 D D H <> S+ 0 0 2 -3,-0.6 4,-2.4 1,-0.2 3,-0.3 0.865 103.8 55.8 -71.5 -36.3 -70.2 9.7 42.1 563 141 D Y H X S+ 0 0 28 -4,-1.5 4,-0.9 1,-0.2 -2,-0.2 0.807 103.1 55.5 -66.5 -30.1 -70.1 11.7 38.9 564 142 D N H < S+ 0 0 75 -4,-1.3 4,-0.3 2,-0.2 -1,-0.2 0.827 111.7 44.4 -68.3 -33.1 -70.6 15.0 40.9 565 143 D I H >< S+ 0 0 54 -4,-0.9 3,-2.1 -3,-0.3 4,-0.2 0.951 112.4 46.6 -77.8 -54.4 -67.5 14.1 43.0 566 144 D I H >< S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.3 4,-0.5 0.729 98.7 75.0 -64.3 -19.9 -65.1 13.0 40.3 567 145 D F G >< S+ 0 0 23 -4,-0.9 3,-1.1 1,-0.3 -1,-0.3 0.807 83.0 67.6 -58.4 -29.1 -66.2 16.1 38.4 568 146 D R G < S+ 0 0 171 -3,-2.1 -1,-0.3 -4,-0.3 3,-0.3 0.609 98.0 50.7 -70.1 -12.1 -64.1 18.1 40.9 569 147 D R G < S+ 0 0 76 -3,-1.7 -1,-0.3 -4,-0.2 -2,-0.2 0.534 108.6 51.8 -96.1 -10.4 -60.9 16.6 39.4 570 148 D X < 0 0 3 -3,-1.1 -128,-2.1 -4,-0.5 -2,-0.2 0.073 360.0 360.0-112.6 20.3 -62.1 17.5 35.9 571 149 D N 0 0 104 -3,-0.3 -3,-0.1 -130,-0.2 -4,-0.1 -0.440 360.0 360.0 100.2 360.0 -62.6 21.1 37.0