==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-MAR-09 3GOR . COMPND 2 MOLECULE: PUTATIVE METAL-DEPENDENT HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GEOBACILLUS STEAROTHERMOPHILUS; . AUTHOR D.R.COOPER,K.GRELEWSKA,Z.S.DEREWENDA,INTEGRATED CENTER FOR . 620 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28389.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 462 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 2.6 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 . 31 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 313 50.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.3 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 4 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 4 4 0 0 0 3 1 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 4 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 . 4 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 -2 A S 0 0 171 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.3 7.4 79.3 52.7 2 -1 A N > - 0 0 66 3,-0.1 3,-1.8 2,-0.1 0, 0.0 0.927 360.0-169.9 98.1 66.0 7.4 75.9 54.3 3 0 A A T 3 S+ 0 0 103 1,-0.3 -1,-0.0 2,-0.1 0, 0.0 0.737 88.4 42.0 -59.0 -25.9 7.3 73.2 51.5 4 1 A X T 3 S- 0 0 84 4,-0.0 -1,-0.3 0, 0.0 5,-0.2 0.439 95.4-135.8-101.1 -0.5 6.7 70.4 54.0 5 2 A S <> + 0 0 49 -3,-1.8 4,-2.0 3,-0.1 5,-0.2 0.959 38.5 171.2 43.3 57.1 4.2 72.2 56.3 6 3 A R H > S+ 0 0 53 2,-0.2 4,-2.9 1,-0.2 3,-0.3 0.980 71.0 48.7 -63.4 -53.3 6.2 70.8 59.1 7 4 A A H > S+ 0 0 5 92,-0.3 4,-2.9 1,-0.2 5,-0.2 0.931 111.8 50.0 -47.7 -51.1 4.4 72.8 61.7 8 5 A K H > S+ 0 0 124 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.841 111.1 48.9 -62.9 -35.0 1.0 71.8 60.3 9 6 A K H X S+ 0 0 123 -4,-2.0 4,-2.3 -3,-0.3 -1,-0.2 0.929 112.6 47.7 -67.2 -46.5 2.0 68.1 60.2 10 7 A W H X S+ 0 0 42 -4,-2.9 4,-3.3 1,-0.2 -2,-0.2 0.896 110.2 53.0 -61.0 -41.0 3.2 68.2 63.8 11 8 A V H X S+ 0 0 14 -4,-2.9 4,-3.0 -5,-0.3 5,-0.2 0.925 109.4 47.7 -63.0 -42.3 0.0 70.0 64.8 12 9 A Q H X S+ 0 0 122 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.911 113.3 48.5 -65.7 -38.6 -2.1 67.3 63.3 13 10 A Y H X S+ 0 0 37 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.941 112.1 49.5 -64.9 -46.8 0.0 64.6 65.0 14 11 A F H >X S+ 0 0 1 -4,-3.3 4,-3.1 1,-0.2 3,-1.2 0.953 113.4 45.4 -55.5 -52.7 -0.3 66.5 68.3 15 12 A L H 3X S+ 0 0 33 -4,-3.0 4,-2.2 1,-0.3 5,-0.3 0.775 99.1 68.0 -66.8 -29.0 -4.0 66.8 68.0 16 13 A S H 3< S+ 0 0 21 -4,-1.9 139,-2.8 -5,-0.2 -1,-0.3 0.806 118.0 26.8 -62.9 -26.4 -4.6 63.2 67.0 17 14 A H H XX S+ 0 0 0 -3,-1.2 4,-2.0 -4,-0.8 3,-0.9 0.847 118.4 54.7 -96.7 -51.7 -3.4 62.4 70.5 18 15 A R H 3X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.3 -3,-0.2 0.815 102.2 60.5 -55.6 -32.8 -4.3 65.5 72.6 19 16 A H H 3X S+ 0 0 74 -4,-2.2 4,-1.9 1,-0.2 -1,-0.3 0.888 106.6 46.2 -62.7 -39.0 -8.0 65.2 71.4 20 17 A V H <> S+ 0 0 0 -3,-0.9 4,-2.5 -5,-0.3 -2,-0.2 0.904 109.2 55.3 -66.5 -41.1 -8.2 61.8 73.0 21 18 A T H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.928 109.6 47.5 -56.1 -43.3 -6.6 63.2 76.1 22 19 A X H X S+ 0 0 30 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.875 107.6 54.0 -68.4 -38.8 -9.2 65.8 76.3 23 20 A E H X S+ 0 0 70 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.923 111.6 47.0 -59.8 -42.7 -12.1 63.3 75.7 24 21 A L H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.914 107.9 55.5 -64.6 -43.4 -10.7 61.3 78.7 25 22 A I H >< S+ 0 0 4 -4,-2.3 3,-1.6 1,-0.3 -1,-0.2 0.863 101.6 58.0 -59.7 -37.2 -10.3 64.4 80.8 26 23 A H H 3< S+ 0 0 104 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.750 97.4 61.4 -66.1 -24.4 -14.0 65.3 80.3 27 24 A K T << S+ 0 0 39 -3,-1.0 2,-0.8 -4,-0.8 -1,-0.3 0.529 87.3 89.8 -77.6 -4.4 -15.0 61.9 81.8 28 25 A I < - 0 0 8 -3,-1.6 54,-0.2 -4,-0.3 2,-0.1 -0.816 64.2-163.6-100.1 103.8 -13.3 63.0 85.1 29 26 A D > - 0 0 77 -2,-0.8 3,-2.8 1,-0.1 4,-0.4 -0.412 37.6-100.4 -81.7 160.6 -15.7 64.7 87.4 30 27 A E G > S+ 0 0 107 1,-0.3 3,-1.1 2,-0.2 4,-0.3 0.776 120.5 66.6 -48.0 -32.0 -14.6 66.8 90.4 31 28 A A G 3 S+ 0 0 74 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.743 107.3 39.0 -65.6 -23.8 -15.3 63.8 92.7 32 29 A H G X S+ 0 0 57 -3,-2.8 3,-2.4 1,-0.1 12,-0.4 0.307 80.2 107.9-108.3 5.7 -12.5 61.9 91.0 33 30 A Y T < S+ 0 0 21 -3,-1.1 12,-3.0 -4,-0.4 13,-0.4 0.858 88.8 41.1 -50.1 -36.8 -10.0 64.7 90.7 34 31 A D T 3 S+ 0 0 115 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.206 85.6 134.6-101.3 15.5 -8.0 63.1 93.5 35 32 A Y < - 0 0 58 -3,-2.4 9,-1.7 8,-0.1 10,-0.1 -0.350 31.5-173.1 -62.9 144.0 -8.4 59.4 92.4 36 33 A K - 0 0 86 7,-0.2 7,-0.1 1,-0.1 -2,-0.0 -0.973 25.2-150.4-143.4 127.1 -5.3 57.3 92.4 37 34 A P S S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.844 90.2 17.6 -63.8 -34.3 -5.0 53.7 91.0 38 35 A T S > S- 0 0 10 4,-0.2 3,-1.5 -3,-0.1 264,-0.1 -0.918 84.8-109.2-135.8 161.1 -2.3 53.0 93.6 39 36 A P T 3 S+ 0 0 114 0, 0.0 263,-0.0 0, 0.0 -1,-0.0 0.760 119.7 44.5 -64.1 -23.7 -1.2 54.6 96.9 40 37 A T T 3 S+ 0 0 77 261,-0.1 2,-0.2 2,-0.1 262,-0.0 0.292 94.6 100.7-104.2 8.9 2.0 55.9 95.2 41 38 A S S < S- 0 0 13 -3,-1.5 3,-0.1 1,-0.1 2,-0.0 -0.565 79.4 -98.7 -90.0 157.5 0.5 57.1 91.9 42 39 A X - 0 0 68 -2,-0.2 -4,-0.2 1,-0.1 -1,-0.1 -0.340 44.1-105.1 -59.9 150.7 -0.3 60.7 90.9 43 40 A T > - 0 0 19 -7,-0.1 4,-2.8 1,-0.1 -7,-0.2 -0.409 32.3-107.1 -71.2 159.8 -3.9 61.8 91.3 44 41 A A H > S+ 0 0 0 -9,-1.7 4,-2.5 -12,-0.4 5,-0.2 0.906 123.2 49.5 -54.1 -43.2 -6.0 62.0 88.1 45 42 A K H > S+ 0 0 61 -12,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.889 111.0 49.2 -64.8 -39.3 -5.8 65.8 88.4 46 43 A Q H > S+ 0 0 106 -13,-0.4 4,-2.6 2,-0.2 -2,-0.2 0.918 112.5 48.1 -64.7 -43.6 -2.1 65.8 88.9 47 44 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.939 113.9 45.0 -62.7 -50.1 -1.6 63.5 85.9 48 45 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.864 114.8 49.2 -63.2 -39.0 -3.8 65.6 83.6 49 46 A T H X S+ 0 0 30 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.926 108.1 53.4 -67.8 -44.1 -2.2 68.8 84.8 50 47 A H H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 5,-0.3 0.876 109.1 50.1 -59.9 -39.2 1.3 67.4 84.3 51 48 A X H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.933 112.4 46.0 -65.1 -47.5 0.5 66.4 80.7 52 49 A L H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.949 119.4 39.3 -60.9 -51.9 -0.9 69.8 79.8 53 50 A F H X S+ 0 0 35 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.933 113.3 52.7 -68.8 -46.3 1.9 71.8 81.4 54 51 A S H X S+ 0 0 16 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.939 111.4 47.0 -57.2 -46.2 4.8 69.6 80.4 55 52 A F H X S+ 0 0 4 -4,-1.9 4,-2.8 -5,-0.3 5,-0.3 0.922 108.4 54.9 -63.4 -43.4 3.8 69.7 76.7 56 53 A Y H X S+ 0 0 34 -4,-1.9 4,-3.0 -5,-0.2 -1,-0.2 0.898 108.2 50.9 -52.7 -41.2 3.3 73.5 76.8 57 54 A N H X S+ 0 0 20 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.906 108.9 50.1 -66.8 -41.8 6.9 73.7 78.1 58 55 A F H X S+ 0 0 9 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.954 115.7 42.6 -57.0 -51.3 8.3 71.5 75.3 59 56 A A H X S+ 0 0 0 -4,-2.8 4,-3.4 2,-0.2 5,-0.2 0.935 113.6 51.9 -63.5 -47.1 6.5 73.6 72.7 60 57 A N H X S+ 0 0 13 -4,-3.0 4,-2.0 -5,-0.3 6,-0.3 0.934 114.1 43.4 -52.6 -49.4 7.4 76.8 74.3 61 58 A T H <>S+ 0 0 0 -4,-2.7 5,-1.2 1,-0.2 4,-0.5 0.890 115.4 48.9 -65.1 -42.1 11.0 75.8 74.4 62 59 A A H ><5S+ 0 0 0 -4,-2.7 3,-0.9 -5,-0.2 -2,-0.2 0.934 109.8 51.1 -64.2 -48.3 10.9 74.5 70.9 63 60 A K H 3<5S+ 0 0 48 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.904 120.3 33.7 -56.7 -46.7 9.2 77.6 69.5 64 61 A H T 3<5S- 0 0 105 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.316 99.4-130.7 -96.0 8.3 11.8 80.0 71.0 65 62 A G T < 5 + 0 0 22 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.753 65.3 134.7 48.1 28.2 14.7 77.6 70.7 66 63 A D > < - 0 0 62 -5,-1.2 3,-1.1 -6,-0.3 4,-0.3 -0.880 42.3-169.4-117.9 103.4 15.4 78.5 74.3 67 64 A P G > S+ 0 0 30 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.684 83.7 69.0 -60.0 -23.7 16.2 75.6 76.7 68 65 A S G > S+ 0 0 87 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.866 90.7 62.2 -67.4 -34.4 15.9 77.8 79.8 69 66 A L G X S+ 0 0 29 -3,-1.1 3,-1.6 1,-0.2 -1,-0.2 0.743 84.2 83.7 -56.2 -26.3 12.1 78.0 79.2 70 67 A F G < S+ 0 0 24 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.843 97.8 30.3 -57.5 -44.1 11.8 74.3 79.7 71 68 A R G < S+ 0 0 168 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 0.193 82.7 137.5-105.2 19.7 11.6 74.1 83.5 72 69 A Q < - 0 0 87 -3,-1.6 2,-0.2 -4,-0.2 -3,-0.0 -0.490 61.3-115.0 -60.4 121.0 9.9 77.5 83.9 73 70 A K - 0 0 155 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.429 22.5-142.9 -67.8 129.5 7.2 76.9 86.6 74 71 A I - 0 0 22 -2,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.824 12.4-165.6 -94.0 121.4 3.7 77.4 85.3 75 72 A E + 0 0 159 -2,-0.6 -2,-0.0 2,-0.0 0, 0.0 -0.933 16.0 168.2-109.5 115.8 1.4 79.0 87.9 76 73 A E - 0 0 80 -2,-0.6 3,-0.3 1,-0.1 -2,-0.0 -0.983 27.1-166.1-137.3 125.4 -2.3 78.6 87.0 77 74 A P + 0 0 108 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.534 57.3 112.8 -80.3 -10.5 -5.3 79.3 89.2 78 75 A E + 0 0 54 1,-0.2 2,-2.3 2,-0.0 5,-0.1 0.716 40.2 177.7 -46.3 -48.9 -7.8 77.6 86.9 79 76 A T + 0 0 84 -3,-0.3 2,-0.8 1,-0.1 -1,-0.2 -0.262 52.7 95.4 77.6 -55.5 -8.8 74.6 89.1 80 77 A N > - 0 0 60 -2,-2.3 4,-2.5 1,-0.2 3,-0.3 -0.613 66.4-153.8 -72.0 109.8 -11.4 73.3 86.7 81 78 A L H > S+ 0 0 1 -2,-0.8 4,-3.3 1,-0.2 5,-0.2 0.902 87.9 53.0 -48.6 -56.4 -9.5 70.6 84.7 82 79 A A H > S+ 0 0 24 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.874 112.5 44.0 -54.1 -43.8 -11.6 70.8 81.5 83 80 A K H > S+ 0 0 110 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.937 113.6 51.1 -68.6 -45.4 -11.1 74.5 81.1 84 81 A L H X S+ 0 0 9 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.913 109.4 52.9 -52.1 -45.1 -7.5 74.2 81.9 85 82 A A H X S+ 0 0 0 -4,-3.3 4,-2.1 -5,-0.2 -2,-0.2 0.941 110.8 44.0 -59.1 -51.5 -7.2 71.5 79.3 86 83 A E H X S+ 0 0 100 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.878 113.2 53.0 -65.1 -37.7 -8.8 73.6 76.5 87 84 A T H X S+ 0 0 46 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.963 115.0 38.3 -60.6 -54.7 -6.8 76.7 77.4 88 85 A Y H X S+ 0 0 7 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.748 111.1 58.8 -74.6 -23.7 -3.4 74.9 77.3 89 86 A T H X S+ 0 0 9 -4,-2.1 4,-2.4 -5,-0.3 -1,-0.2 0.906 109.5 45.4 -67.6 -39.1 -4.2 72.8 74.3 90 87 A E H X S+ 0 0 77 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.902 112.9 49.2 -70.5 -42.0 -4.9 76.0 72.4 91 88 A K H X S+ 0 0 76 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.943 113.9 46.7 -61.2 -47.2 -1.7 77.7 73.7 92 89 A T H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.918 111.3 51.4 -60.1 -45.6 0.3 74.6 72.8 93 90 A R H X S+ 0 0 48 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.906 110.8 48.8 -58.3 -44.6 -1.3 74.3 69.3 94 91 A Q H X S+ 0 0 102 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.889 107.5 53.7 -66.7 -40.9 -0.5 78.0 68.5 95 92 A L H < S+ 0 0 24 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.945 114.1 41.7 -56.5 -50.9 3.1 77.8 69.6 96 93 A I H >< S+ 0 0 3 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.897 111.3 55.3 -65.8 -41.6 3.8 74.8 67.3 97 94 A E H 3< S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.747 100.9 60.7 -64.2 -23.0 1.7 76.2 64.4 98 95 A S T 3< S+ 0 0 62 -4,-1.3 2,-0.3 -3,-0.5 -1,-0.3 0.318 83.8 108.0 -89.7 8.1 3.8 79.4 64.5 99 96 A X < - 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0 0 36 -2,-0.3 4,-1.5 1,-0.1 5,-0.1 -0.289 35.1-107.9 -71.4 166.1 20.3 53.9 57.5 164 3 B R H > S+ 0 0 76 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.937 122.8 56.4 -54.8 -50.7 16.6 54.8 58.2 165 4 B A H > S+ 0 0 1 92,-0.3 4,-2.7 1,-0.2 5,-0.2 0.929 105.5 50.1 -46.2 -52.6 16.2 51.3 59.4 166 5 B K H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.824 110.3 49.9 -61.4 -34.5 19.0 51.7 61.9 167 6 B K H X S+ 0 0 117 -4,-1.5 4,-2.1 -3,-0.4 -1,-0.2 0.919 112.1 47.5 -67.2 -45.2 17.4 54.9 63.2 168 7 B W H X S+ 0 0 40 -4,-2.7 4,-3.2 1,-0.2 -2,-0.2 0.870 110.3 52.8 -64.9 -38.2 14.0 53.3 63.6 169 8 B V H X S+ 0 0 14 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.916 109.2 48.1 -64.8 -42.8 15.5 50.3 65.3 170 9 B Q H X S+ 0 0 102 -4,-1.8 4,-1.8 -5,-0.2 -2,-0.2 0.902 113.6 48.4 -64.3 -38.8 17.2 52.6 67.8 171 10 B Y H X S+ 0 0 40 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.937 112.3 49.0 -64.7 -47.7 13.9 54.4 68.4 172 11 B F H >X S+ 0 0 1 -4,-3.2 4,-3.1 1,-0.2 3,-1.2 0.949 113.6 45.5 -54.0 -53.5 12.1 51.1 68.8 173 12 B L H 3X S+ 0 0 31 -4,-2.8 4,-2.3 1,-0.3 5,-0.3 0.774 98.9 68.5 -65.3 -30.7 14.6 49.7 71.3 174 13 B S H 3< S+ 0 0 11 -4,-1.8 139,-3.1 141,-0.4 -1,-0.3 0.794 117.9 26.3 -61.2 -24.9 14.7 52.9 73.3 175 14 B H H XX S+ 0 0 0 -3,-1.2 4,-2.0 -4,-0.7 3,-0.7 0.819 118.3 55.4-101.4 -49.0 11.2 52.0 74.3 176 15 B R H 3X S+ 0 0 1 -4,-3.1 4,-2.5 1,-0.3 -3,-0.2 0.831 102.0 60.3 -59.6 -31.2 11.0 48.3 73.9 177 16 B H H 3X S+ 0 0 70 -4,-2.3 4,-1.9 1,-0.2 -1,-0.3 0.904 106.6 46.5 -62.9 -39.7 14.0 47.9 76.3 178 17 B V H <> S+ 0 0 0 -3,-0.7 4,-2.5 -5,-0.3 -2,-0.2 0.912 109.1 55.0 -66.1 -40.8 11.9 49.6 79.0 179 18 B T H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.923 109.5 48.2 -57.2 -41.6 9.0 47.4 78.1 180 19 B X H X S+ 0 0 29 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.864 107.4 53.8 -69.7 -36.8 11.2 44.4 78.7 181 20 B E H X S+ 0 0 73 -4,-1.9 4,-0.7 1,-0.2 -1,-0.2 0.929 111.4 47.1 -62.2 -43.8 12.5 45.7 82.0 182 21 B L H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.894 108.0 55.3 -62.3 -42.3 8.9 46.1 83.2 183 22 B I H >< S+ 0 0 3 -4,-2.2 3,-1.5 1,-0.2 -1,-0.2 0.865 101.5 58.3 -62.5 -35.3 8.0 42.6 82.0 184 23 B H H 3< S+ 0 0 102 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.744 97.6 60.7 -67.3 -22.9 10.8 41.1 84.1 185 24 B K T << S+ 0 0 40 -3,-0.9 2,-0.8 -4,-0.7 -1,-0.3 0.538 87.4 90.1 -79.0 -6.4 9.3 42.6 87.2 186 25 B I < - 0 0 8 -3,-1.5 54,-0.2 -4,-0.3 2,-0.1 -0.811 64.2-163.7 -97.4 104.9 6.1 40.5 86.6 187 26 B D > - 0 0 77 -2,-0.8 3,-2.8 1,-0.1 4,-0.4 -0.409 37.8-100.1 -83.0 161.1 6.2 37.1 88.2 188 27 B E G > S+ 0 0 109 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.799 120.7 66.6 -49.9 -31.6 3.9 34.2 87.3 189 28 B A G 3 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.768 106.9 39.1 -63.8 -25.2 1.8 35.1 90.3 190 29 B H G X S+ 0 0 56 -3,-2.8 3,-2.1 1,-0.2 12,-0.4 0.311 80.2 108.2-108.1 7.1 0.8 38.4 88.8 191 30 B Y T < S+ 0 0 20 -3,-1.3 12,-3.0 -4,-0.4 13,-0.4 0.859 89.1 40.2 -51.1 -36.8 0.4 37.2 85.2 192 31 B D T 3 S+ 0 0 115 -4,-0.4 -1,-0.3 -3,-0.2 -2,-0.1 0.249 86.2 134.3-101.9 12.0 -3.4 37.5 85.6 193 32 B Y < - 0 0 61 -3,-2.1 9,-1.8 8,-0.1 10,-0.1 -0.307 31.9-172.6 -57.6 142.5 -3.3 40.8 87.6 194 33 B K - 0 0 86 7,-0.2 7,-0.1 1,-0.1 -2,-0.0 -0.976 25.1-150.8-142.2 127.3 -5.8 43.5 86.5 195 34 B P S S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.843 90.1 18.3 -63.4 -34.4 -5.9 47.1 87.8 196 35 B T S > S- 0 0 7 4,-0.2 3,-1.3 -3,-0.1 -52,-0.1 -0.903 84.5-110.0-134.3 162.1 -9.7 47.2 87.1 197 36 B P T 3 S+ 0 0 115 0, 0.0 -53,-0.1 0, 0.0 -1,-0.0 0.785 119.6 44.2 -64.8 -25.5 -12.3 44.5 86.5 198 37 B T T 3 S+ 0 0 70 -55,-0.1 2,-0.2 2,-0.1 -54,-0.0 0.303 94.8 101.0-101.7 8.4 -12.6 45.5 82.8 199 38 B S S < S- 0 0 13 -3,-1.3 3,-0.1 1,-0.1 -59,-0.0 -0.541 79.0 -98.9 -90.1 158.3 -8.8 45.8 82.1 200 39 B X - 0 0 68 -2,-0.2 -4,-0.2 1,-0.1 -1,-0.1 -0.348 43.8-104.4 -63.2 152.6 -6.6 43.3 80.3 201 40 B T > - 0 0 19 -7,-0.1 4,-2.8 1,-0.1 5,-0.2 -0.422 31.9-108.3 -71.0 158.1 -4.5 41.0 82.5 202 41 B A H > S+ 0 0 0 -9,-1.8 4,-2.6 -12,-0.4 5,-0.3 0.911 123.0 49.7 -53.3 -43.4 -0.8 41.9 82.7 203 42 B K H > S+ 0 0 62 -12,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.907 111.1 48.7 -64.7 -40.2 -0.0 38.8 80.6 204 43 B Q H > S+ 0 0 105 -13,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.903 112.6 48.7 -63.6 -40.5 -2.6 39.8 78.1 205 44 B L H X S+ 0 0 0 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.951 113.6 44.8 -65.5 -50.9 -1.3 43.4 77.9 206 45 B A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.875 114.5 49.4 -63.3 -39.5 2.3 42.3 77.5 207 46 B T H X S+ 0 0 30 -4,-2.2 4,-2.8 -5,-0.3 5,-0.3 0.930 108.5 53.1 -65.5 -44.7 1.5 39.7 74.9 208 47 B H H X S+ 0 0 70 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.880 108.8 50.4 -59.1 -39.5 -0.6 42.2 72.9 209 48 B X H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.2 0.938 112.5 45.5 -65.4 -47.6 2.3 44.6 72.8 210 49 B L H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.939 119.6 39.6 -61.2 -50.3 4.7 42.0 71.5 211 50 B F H X S+ 0 0 35 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.923 113.0 52.9 -71.1 -44.0 2.5 40.5 68.9 212 51 B S H X S+ 0 0 16 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.938 111.3 46.8 -60.9 -44.6 0.9 43.7 67.7 213 52 B F H X S+ 0 0 3 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.922 108.4 55.6 -62.7 -43.8 4.3 45.3 67.0 214 53 B Y H X S+ 0 0 32 -4,-1.9 4,-3.1 -5,-0.2 -1,-0.2 0.906 107.9 50.3 -51.0 -42.8 5.5 42.2 65.3 215 54 B N H X S+ 0 0 21 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.894 109.1 50.1 -67.0 -42.1 2.5 42.4 63.0 216 55 B F H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.949 115.9 42.3 -55.3 -52.6 3.2 46.1 62.2 217 56 B A H X S+ 0 0 0 -4,-2.8 4,-3.5 2,-0.2 5,-0.3 0.947 113.6 52.0 -63.1 -48.9 6.9 45.3 61.4 218 57 B N H X S+ 0 0 12 -4,-3.1 4,-1.9 -5,-0.3 6,-0.3 0.926 114.4 43.2 -51.2 -49.0 6.0 42.2 59.5 219 58 B T H <>S+ 0 0 0 -4,-2.5 5,-1.1 1,-0.2 4,-0.3 0.880 115.4 48.8 -65.3 -42.3 3.5 44.1 57.3 220 59 B A H ><5S+ 0 0 0 -4,-2.6 3,-1.1 -5,-0.2 -2,-0.2 0.931 110.1 51.0 -63.5 -48.4 5.9 47.1 56.9 221 60 B K H 3<5S+ 0 0 49 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.911 120.0 34.1 -57.5 -45.8 8.8 44.9 55.9 222 61 B H T 3<5S- 0 0 110 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.267 99.4-130.7 -97.6 11.4 6.8 43.0 53.2 223 62 B G T < 5 + 0 0 21 -3,-1.1 -3,-0.2 -4,-0.3 -4,-0.1 0.741 65.5 134.8 43.9 28.6 4.7 45.9 52.2 224 63 B D > < - 0 0 54 -5,-1.1 3,-1.1 -6,-0.3 4,-0.3 -0.886 42.4-169.5-117.5 104.2 1.8 43.5 52.6 225 64 B P G > S+ 0 0 33 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.693 83.9 68.4 -61.0 -23.8 -1.4 44.7 54.5 226 65 B S G > S+ 0 0 80 1,-0.2 3,-0.7 2,-0.2 4,-0.1 0.857 90.9 62.7 -67.1 -33.6 -2.9 41.2 54.6 227 66 B L G X S+ 0 0 28 -3,-1.1 3,-1.7 1,-0.2 -1,-0.2 0.748 84.0 83.7 -56.1 -26.9 -0.1 40.2 57.0 228 67 B F G < S+ 0 0 24 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.847 97.7 30.1 -58.2 -45.4 -1.4 42.7 59.6 229 68 B R G < S+ 0 0 168 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 0.150 82.6 138.0-104.6 22.2 -4.1 40.7 61.2 230 69 B Q < - 0 0 71 -3,-1.7 2,-0.2 -4,-0.1 -3,-0.0 -0.516 61.0-114.9 -63.2 122.3 -2.6 37.3 60.7 231 70 B K - 0 0 158 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.434 22.5-142.8 -69.1 131.0 -3.1 35.5 64.0 232 71 B I - 0 0 21 -2,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.835 12.6-166.1 -94.7 121.3 0.0 34.6 65.9 233 72 B E + 0 0 155 -2,-0.6 -2,-0.0 2,-0.0 0, 0.0 -0.933 15.8 168.2-109.8 115.1 -0.1 31.3 67.7 234 73 B E - 0 0 80 -2,-0.6 3,-0.3 1,-0.1 -2,-0.0 -0.987 27.1-165.9-136.1 125.5 2.7 30.8 70.2 235 74 B P + 0 0 110 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.521 57.8 112.6 -80.3 -9.3 3.0 28.1 72.9 236 75 B E + 0 0 53 1,-0.2 2,-2.2 2,-0.0 5,-0.1 0.733 40.2 177.4 -47.2 -49.1 5.7 29.9 74.9 237 76 B T + 0 0 86 -3,-0.3 2,-0.8 1,-0.1 -1,-0.2 -0.247 52.5 95.6 78.2 -54.1 3.8 30.7 78.1 238 77 B N > - 0 0 59 -2,-2.2 4,-2.6 1,-0.2 3,-0.3 -0.622 66.2-154.1 -74.2 109.6 6.7 32.3 79.9 239 78 B L H > S+ 0 0 1 -2,-0.8 4,-3.3 1,-0.2 5,-0.2 0.903 88.0 52.8 -48.0 -56.5 6.4 36.0 79.2 240 79 B A H > S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.886 112.7 44.0 -54.5 -43.7 10.0 37.0 79.5 241 80 B K H > S+ 0 0 111 -3,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.946 113.8 50.5 -68.5 -46.7 11.1 34.4 77.0 242 81 B L H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.912 109.7 53.5 -50.0 -44.3 8.3 35.3 74.7 243 82 B A H X S+ 0 0 0 -4,-3.3 4,-2.0 -5,-0.2 -2,-0.2 0.939 110.6 43.5 -61.1 -49.4 9.4 39.0 75.1 244 83 B E H X S+ 0 0 99 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.885 113.2 53.1 -66.7 -38.5 13.0 38.4 74.1 245 84 B T H X S+ 0 0 47 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.972 114.7 38.6 -57.6 -57.4 12.0 36.1 71.2 246 85 B Y H X S+ 0 0 6 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.760 111.3 58.4 -72.7 -24.9 9.6 38.6 69.6 247 86 B T H X S+ 0 0 10 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.910 109.5 45.7 -68.0 -39.0 11.7 41.6 70.3 248 87 B E H X S+ 0 0 77 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.914 113.2 48.6 -69.0 -42.6 14.5 40.0 68.3 249 88 B K H X S+ 0 0 79 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.937 114.2 47.0 -60.9 -45.3 12.1 39.0 65.5 250 89 B T H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 5,-0.2 0.926 111.2 51.0 -63.2 -44.9 10.7 42.5 65.4 251 90 B R H X S+ 0 0 49 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.906 111.1 49.0 -57.5 -43.3 14.2 44.1 65.5 252 91 B Q H X S+ 0 0 103 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.888 107.3 53.6 -70.2 -39.1 15.4 42.0 62.6 253 92 B L H < S+ 0 0 24 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.946 114.0 42.3 -57.2 -48.8 12.4 42.7 60.4 254 93 B I H >< S+ 0 0 4 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.903 110.8 55.3 -68.3 -40.7 12.9 46.4 60.7 255 94 B E H 3< S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.770 100.9 60.8 -63.9 -24.4 16.7 46.2 60.3 256 95 B S T 3< S+ 0 0 61 -4,-1.4 2,-0.3 -3,-0.4 -1,-0.3 0.346 83.6 107.6 -88.6 8.2 16.3 44.4 57.0 257 96 B X < - 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0 0 62 -5,-1.2 3,-1.2 -6,-0.3 4,-0.3 -0.881 42.4-169.4-117.9 103.9 21.1 -3.7 43.2 535 64 D P G > S+ 0 0 31 0, 0.0 3,-1.0 0, 0.0 4,-0.4 0.708 83.9 68.8 -59.8 -26.2 18.1 -3.7 45.6 536 65 D S G > S+ 0 0 82 1,-0.2 3,-0.7 2,-0.2 4,-0.1 0.852 90.8 62.2 -64.2 -34.8 20.4 -3.8 48.7 537 66 D L G X S+ 0 0 29 -3,-1.2 3,-1.5 1,-0.2 -1,-0.2 0.732 84.3 83.7 -57.5 -25.2 21.7 -0.3 47.9 538 67 D F G < S+ 0 0 24 -3,-1.0 -1,-0.2 -4,-0.3 -2,-0.2 0.865 97.9 30.1 -57.8 -45.7 18.2 1.1 48.4 539 68 D R G < S+ 0 0 168 -3,-0.7 2,-0.3 -4,-0.4 -1,-0.3 0.172 82.9 137.6-104.0 20.8 18.1 1.5 52.2 540 69 D Q < - 0 0 87 -3,-1.5 2,-0.2 -4,-0.1 -3,-0.0 -0.499 61.2-115.1 -60.4 122.1 21.8 2.2 52.5 541 70 D K - 0 0 152 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 -0.442 22.5-142.6 -68.4 131.2 22.1 5.0 55.0 542 71 D I - 0 0 22 -2,-0.2 2,-0.6 2,-0.0 -1,-0.1 -0.841 12.6-166.0 -96.4 121.1 23.5 8.3 53.7 543 72 D E + 0 0 156 -2,-0.6 -2,-0.0 2,-0.0 0, 0.0 -0.932 15.7 168.4-108.8 115.2 25.7 10.2 56.1 544 73 D E - 0 0 80 -2,-0.6 3,-0.3 1,-0.1 -2,-0.0 -0.983 27.0-165.9-136.2 125.4 26.4 13.7 55.0 545 74 D P + 0 0 109 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 0.528 57.6 112.6 -80.0 -9.7 27.9 16.5 57.1 546 75 D E + 0 0 53 1,-0.2 2,-2.2 2,-0.0 5,-0.1 0.730 40.3 177.6 -46.4 -49.3 26.9 19.3 54.7 547 76 D T + 0 0 86 -3,-0.3 2,-0.7 1,-0.1 -1,-0.2 -0.258 52.7 95.4 78.0 -55.7 24.4 21.2 56.9 548 77 D N > - 0 0 60 -2,-2.2 4,-2.5 1,-0.2 5,-0.2 -0.618 66.1-154.2 -71.5 110.2 23.7 23.9 54.3 549 78 D L H > S+ 0 0 1 -2,-0.7 4,-3.2 1,-0.2 5,-0.2 0.908 88.0 52.7 -51.0 -55.8 20.6 22.8 52.4 550 79 D A H > S+ 0 0 23 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 112.7 44.2 -52.8 -45.9 21.2 24.6 49.2 551 80 D K H > S+ 0 0 112 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.926 113.8 50.5 -66.3 -45.0 24.7 23.2 48.8 552 81 D L H X S+ 0 0 9 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.907 109.5 53.5 -55.2 -42.5 23.5 19.7 49.8 553 82 D A H X S+ 0 0 0 -4,-3.2 4,-2.2 -5,-0.2 -2,-0.2 0.944 110.5 43.9 -60.5 -50.5 20.7 20.1 47.2 554 83 D E H X S+ 0 0 97 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.892 113.2 53.0 -64.4 -39.3 23.1 20.9 44.3 555 84 D T H X S+ 0 0 48 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.956 114.7 38.7 -59.7 -53.5 25.5 18.2 45.3 556 85 D Y H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.782 111.4 58.0 -75.3 -27.1 22.9 15.4 45.4 557 86 D T H X S+ 0 0 10 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.906 109.6 46.3 -65.2 -38.6 21.0 16.7 42.3 558 87 D E H X S+ 0 0 79 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.907 113.1 48.3 -70.4 -40.8 24.3 16.4 40.4 559 88 D K H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.929 114.1 47.0 -62.7 -43.8 25.0 12.9 41.7 560 89 D T H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.922 111.1 51.3 -65.6 -44.6 21.5 11.8 41.0 561 90 D R H X S+ 0 0 48 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.914 110.8 48.9 -56.8 -45.9 21.6 13.3 37.4 562 91 D Q H X S+ 0 0 103 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.890 107.6 53.2 -66.5 -41.8 24.9 11.5 36.7 563 92 D L H >< S+ 0 0 25 -4,-2.1 3,-0.5 1,-0.2 -1,-0.2 0.955 113.9 42.7 -55.4 -52.2 23.7 8.1 37.9 564 93 D I H >< S+ 0 0 3 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.902 111.1 55.0 -62.9 -42.1 20.6 8.2 35.7 565 94 D E H 3< S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 100.7 60.7 -65.1 -23.9 22.5 9.6 32.7 566 95 D S T << S+ 0 0 63 -4,-1.4 2,-0.3 -3,-0.5 -1,-0.3 0.357 83.8 108.2 -87.5 6.7 25.0 6.7 32.8 567 96 D X < - 0 0 9 -3,-1.6 -92,-0.3 -4,-0.1 2,-0.1 -0.636 62.8-135.1 -90.2 142.0 22.3 4.1 32.2 568 97 D S > - 0 0 58 -2,-0.3 4,-0.7 -94,-0.1 3,-0.1 -0.347 29.2-107.9 -81.0 171.8 21.9 2.1 29.0 569 98 D D T 4 S+ 0 0 65 1,-0.2 3,-0.2 2,-0.2 4,-0.1 0.764 118.6 55.5 -77.1 -23.5 18.4 1.6 27.5 570 99 D D T >> S+ 0 0 127 1,-0.2 3,-2.0 2,-0.2 4,-0.8 0.793 94.9 68.1 -76.0 -29.0 18.3 -2.1 28.5 571 100 D D G >4 S+ 0 0 35 1,-0.3 3,-1.0 2,-0.2 17,-0.3 0.869 92.0 60.7 -55.8 -37.0 19.0 -1.1 32.1 572 101 D F G 3< S+ 0 0 0 -4,-0.7 17,-1.2 1,-0.3 -1,-0.3 0.593 105.2 49.1 -69.5 -8.4 15.5 0.4 32.2 573 102 D D G <4 S+ 0 0 88 -3,-2.0 -1,-0.3 15,-0.2 -2,-0.2 0.548 83.2 116.9-104.7 -12.6 14.1 -3.0 31.4 574 103 D R << - 0 0 78 -3,-1.0 14,-2.2 -4,-0.8 2,-0.4 -0.258 67.0-122.7 -57.8 140.9 16.0 -4.9 34.1 575 104 D T E -D 587 0D 89 12,-0.2 2,-0.5 13,-0.1 12,-0.2 -0.743 20.1-149.1 -89.9 133.8 13.8 -6.5 36.7 576 105 D L E -D 586 0D 1 10,-3.6 10,-1.5 -2,-0.4 2,-1.2 -0.897 8.4-140.4-107.4 126.3 14.4 -5.5 40.3 577 106 D D E +D 585 0D 91 -2,-0.5 3,-0.2 8,-0.2 8,-0.2 -0.690 41.0 151.1 -86.5 96.2 13.7 -8.0 43.1 578 107 D L >>> + 0 0 0 -2,-1.2 4,-3.1 6,-0.9 3,-1.8 0.102 25.9 116.9-117.3 21.4 12.2 -5.8 45.7 579 108 D T H 3>5S+ 0 0 76 4,-0.3 4,-1.0 1,-0.3 -1,-0.2 0.901 75.8 58.6 -57.6 -41.5 9.9 -8.1 47.6 580 109 D A H 345S+ 0 0 99 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.706 123.3 23.5 -57.5 -19.4 11.9 -7.6 50.8 581 110 D I H <45S+ 0 0 44 -3,-1.8 -2,-0.2 3,-0.2 -1,-0.1 0.803 142.4 14.4-118.6 -56.3 11.1 -3.9 50.5 582 111 D F H <5S- 0 0 74 -4,-3.1 -3,-0.2 2,-0.3 -2,-0.1 0.310 99.4-117.8-103.6 3.5 7.9 -3.2 48.5 583 112 D G S < -D 575 0D 29 -2,-0.3 4,-2.2 -12,-0.2 -12,-0.2 -0.415 37.9-116.2 -71.6 154.3 10.9 -3.2 36.2 588 117 D T H > S+ 0 0 0 -14,-2.2 4,-2.4 -17,-0.3 -15,-0.2 0.832 116.8 55.1 -60.7 -30.8 13.6 -0.5 36.7 589 118 D A H > S+ 0 0 21 -17,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.902 107.5 46.6 -71.2 -41.7 11.4 1.9 34.8 590 119 D Q H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.873 112.2 53.5 -63.3 -37.0 8.4 1.4 37.1 591 120 D F H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.922 109.6 46.1 -64.6 -45.9 10.8 1.8 40.0 592 121 D L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.831 108.6 56.0 -67.2 -32.4 12.1 5.1 38.6 593 122 D Q H X S+ 0 0 31 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.911 105.7 52.8 -64.8 -38.3 8.5 6.2 38.0 594 123 D L H X S+ 0 0 27 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.904 106.7 52.3 -60.5 -40.7 7.9 5.5 41.7 595 124 D A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.928 110.8 47.5 -61.7 -46.0 10.9 7.7 42.5 596 125 D X H X S+ 0 0 1 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.924 110.5 51.0 -57.3 -49.2 9.5 10.5 40.4 597 126 D D H X S+ 0 0 6 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.888 110.7 50.8 -55.7 -39.3 6.0 10.1 42.0 598 127 D H H X S+ 0 0 22 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.949 111.8 45.6 -67.6 -48.4 7.7 10.3 45.4 599 128 D E H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.917 114.5 48.1 -55.9 -47.5 9.6 13.5 44.5 600 129 D I H X S+ 0 0 0 -4,-3.1 4,-2.0 1,-0.2 -2,-0.2 0.916 110.4 52.9 -64.2 -41.1 6.5 15.1 43.0 601 130 D H H X S+ 0 0 9 -4,-2.7 4,-1.3 -5,-0.2 -2,-0.2 0.948 113.6 41.3 -56.9 -51.0 4.5 14.1 46.1 602 131 D H H X S+ 0 0 13 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.838 109.7 57.6 -72.5 -32.4 7.0 15.8 48.5 603 132 D K H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.878 102.1 57.6 -61.9 -36.8 7.5 18.8 46.3 604 133 D G H X S+ 0 0 0 -4,-2.0 4,-1.0 -5,-0.2 -1,-0.2 0.922 109.5 44.1 -57.0 -44.2 3.7 19.3 46.6 605 134 D Q H >X S+ 0 0 18 -4,-1.3 4,-2.3 1,-0.2 3,-0.7 0.917 106.8 58.9 -66.1 -43.9 4.2 19.4 50.4 606 135 D L H 3X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.3 -1,-0.2 0.858 99.5 59.8 -54.6 -36.7 7.2 21.7 50.1 607 136 D F H 3X S+ 0 0 15 -4,-1.9 4,-1.9 1,-0.2 -1,-0.3 0.891 106.1 46.8 -59.4 -40.2 4.9 24.2 48.3 608 137 D V H S+ 0 0 0 -4,-2.8 5,-1.7 1,-0.2 4,-0.5 0.862 111.1 48.7 -56.4 -43.0 7.1 27.6 51.7 611 140 D R H ><5S+ 0 0 60 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.901 108.2 57.5 -61.6 -40.2 3.8 29.5 51.5 612 141 D G H 3<5S+ 0 0 29 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.825 100.9 55.1 -57.9 -34.1 3.5 29.0 55.2 613 142 D X T 3<5S- 0 0 21 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.596 129.4 -98.3 -77.7 -12.1 6.9 30.7 55.8 614 143 D G T < 5S+ 0 0 51 -3,-1.3 2,-0.3 -4,-0.5 -3,-0.2 0.338 76.7 137.6 117.3 -5.9 5.4 33.6 53.9 615 144 D H < + 0 0 50 -5,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.582 18.5 171.2 -77.1 132.2 6.7 33.4 50.3 616 145 D T + 0 0 78 -2,-0.3 2,-1.3 1,-0.1 -1,-0.1 0.626 56.9 79.5-116.4 -22.8 4.0 34.1 47.8 617 146 D D + 0 0 120 -6,-0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.703 66.1 170.8 -91.3 89.1 5.8 34.3 44.5 618 147 D L - 0 0 38 -2,-1.3 3,-0.1 -3,-0.1 -11,-0.0 -0.773 32.2-115.4-108.3 146.4 6.2 30.6 43.7 619 148 D P - 0 0 22 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.209 45.8 -86.1 -64.1 160.6 7.4 28.8 40.5 620 149 D L - 0 0 141 1,-0.1 0, 0.0 2,-0.1 0, 0.0 -0.468 46.2-110.1 -61.7 146.7 5.0 26.6 38.5 621 150 D F S S+ 0 0 35 -2,-0.1 2,-0.3 -3,-0.1 -133,-0.1 0.727 101.9 30.0 -59.3 -21.8 5.1 23.1 40.0 622 151 D V 0 0 34 -134,-0.1 -137,-0.2 -135,-0.1 -138,-0.1 -0.999 360.0 360.0-137.8 141.8 7.0 21.8 37.0 623 152 D K 0 0 141 -139,-2.8 -136,-0.1 -2,-0.3 -137,-0.1 -0.782 360.0 360.0 -85.9 360.0 9.4 23.5 34.5