==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 01-JUL-04 1TX3 . COMPND 2 MOLECULE: 5'-D(*GP*CP*CP*GP*GP*TP*CP*GP*AP*CP*CP*GP*G)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR N.C.HORTON,L.F.DORNER,J.J.PERONA . 996 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48587.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 695 69.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 137 13.8 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 . 12 1.2 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 . 69 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 124 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 304 30.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 2 3 3 5 4 0 3 0 3 2 3 0 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 8 5 9 2 2 0 1 0 1 2 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 4 0 1 3 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 45 0, 0.0 179,-0.0 0, 0.0 156,-0.0 0.000 360.0 360.0 360.0 140.6 -0.4 22.6 200.6 2 3 A F + 0 0 53 2,-0.1 4,-0.1 1,-0.1 107,-0.0 0.553 360.0 49.6 -90.3 -11.6 -1.1 23.3 196.9 3 4 A I S > S+ 0 0 0 2,-0.1 3,-2.3 1,-0.1 4,-0.2 0.798 92.1 72.7 -93.6 -38.1 1.1 20.2 196.1 4 5 A K G > S+ 0 0 118 1,-0.3 3,-1.5 2,-0.2 4,-0.3 0.869 92.1 60.0 -45.0 -44.6 -0.5 17.7 198.4 5 6 A P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.740 117.8 29.3 -59.1 -25.1 -3.6 17.6 196.1 6 7 A I G X> S+ 0 0 33 -3,-2.3 4,-1.6 -4,-0.1 3,-0.6 0.035 79.3 122.5-124.6 27.6 -1.4 16.4 193.2 7 8 A Y H <> S+ 0 0 53 -3,-1.5 4,-2.2 1,-0.3 5,-0.2 0.874 77.3 52.6 -56.6 -40.1 1.3 14.5 195.1 8 9 A Q H 3> S+ 0 0 164 -4,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.806 105.2 54.6 -67.0 -30.2 0.5 11.3 193.1 9 10 A D H <> S+ 0 0 83 -3,-0.6 4,-1.1 2,-0.2 -1,-0.2 0.849 111.5 44.9 -71.8 -31.6 0.8 13.2 189.8 10 11 A I H X S+ 0 0 0 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.866 114.7 48.3 -75.8 -40.3 4.3 14.3 190.8 11 12 A N H >X S+ 0 0 39 -4,-2.2 4,-2.6 1,-0.2 3,-0.7 0.902 107.7 54.3 -68.3 -42.0 5.2 10.8 192.0 12 13 A S H 3< S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 109.9 47.1 -62.7 -36.2 3.9 9.1 188.9 13 14 A I H 3< S+ 0 0 70 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.641 117.4 44.0 -81.2 -12.8 6.0 11.2 186.6 14 15 A L H X< S+ 0 0 1 -4,-0.7 3,-2.3 -3,-0.7 159,-0.5 0.894 88.0 87.3 -94.5 -55.6 9.1 10.7 188.8 15 16 A I T 3< S+ 0 0 75 -4,-2.6 159,-0.2 1,-0.3 3,-0.1 -0.253 106.3 7.8 -53.7 116.6 9.3 7.0 189.7 16 17 A G T 3 S+ 0 0 47 157,-2.2 -1,-0.3 1,-0.3 2,-0.2 0.177 91.5 133.5 99.6 -18.7 11.1 5.2 186.9 17 18 A Q < - 0 0 94 -3,-2.3 156,-1.2 156,-0.0 -1,-0.3 -0.486 42.1-151.8 -69.2 132.5 12.3 8.3 185.0 18 19 A K E -A 172 0A 81 -2,-0.2 2,-0.4 154,-0.2 154,-0.2 -0.777 11.3-168.9-107.3 151.3 15.9 8.1 184.0 19 20 A V E -A 171 0A 29 152,-1.7 152,-2.3 -2,-0.3 9,-0.0 -0.998 36.7 -97.9-137.5 137.4 18.4 11.0 183.4 20 21 A K E A 170 0A 84 -2,-0.4 150,-0.3 150,-0.2 149,-0.0 -0.327 360.0 360.0 -56.5 130.6 21.9 10.8 181.8 21 22 A R 0 0 87 148,-3.0 -1,-0.1 146,-0.1 3,-0.0 -0.291 360.0 360.0 -65.4 360.0 24.5 10.7 184.6 22 ! 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 23 32 A A > 0 0 74 0, 0.0 3,-0.9 0, 0.0 256,-0.0 0.000 360.0 360.0 360.0-163.5 24.2 18.1 193.1 24 33 A A T 3 + 0 0 57 1,-0.2 147,-0.0 2,-0.1 0, 0.0 0.741 360.0 47.4 -69.2 -23.0 23.9 14.6 191.5 25 34 A G T >> S+ 0 0 0 1,-0.2 3,-1.8 2,-0.1 4,-0.7 0.446 81.0 101.0 -97.1 -1.9 20.1 14.7 192.3 26 35 A E H X> + 0 0 53 -3,-0.9 4,-1.7 1,-0.3 3,-1.6 0.877 69.8 67.6 -49.1 -45.7 19.6 18.3 190.9 27 36 A P H 3> S+ 0 0 45 0, 0.0 4,-0.8 0, 0.0 -1,-0.3 0.771 98.7 52.4 -48.3 -30.1 18.1 16.9 187.7 28 37 A F H <> S+ 0 0 0 -3,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.749 103.2 56.3 -80.3 -25.0 15.1 15.6 189.6 29 38 A E H X S+ 0 0 25 -4,-1.7 4,-1.2 2,-0.2 3,-1.1 0.961 114.2 43.4 -62.9 -53.6 5.9 19.9 186.2 36 45 A L H 3X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.3 3,-0.3 0.874 109.1 57.6 -59.6 -40.3 4.5 22.4 188.7 37 46 A K H 3< S+ 0 0 62 -4,-3.2 -1,-0.3 1,-0.2 -2,-0.2 0.698 114.0 40.4 -65.3 -17.9 5.2 25.3 186.3 38 47 A E H << S+ 0 0 133 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.575 124.8 34.4-105.2 -14.6 3.0 23.4 183.7 39 48 A N H < S+ 0 0 92 -4,-1.2 -2,-0.2 -3,-0.3 -3,-0.2 0.475 134.4 24.2-117.5 -8.3 0.3 22.2 186.1 40 49 A L S >X S+ 0 0 37 -4,-2.6 3,-2.6 -5,-0.2 4,-2.0 -0.250 75.4 157.3-149.2 44.0 0.1 25.2 188.5 41 50 A S T 34 S+ 0 0 44 1,-0.3 -3,-0.1 2,-0.2 -4,-0.1 0.821 71.6 50.7 -41.7 -48.7 1.5 27.8 186.2 42 51 A D T 34 S+ 0 0 142 1,-0.2 -1,-0.3 -3,-0.0 67,-0.1 0.466 118.8 37.9 -75.8 -0.7 -0.0 30.8 188.1 43 52 A L T <4 S+ 0 0 15 -3,-2.6 66,-1.5 -7,-0.2 2,-0.4 0.620 92.7 94.0-120.5 -22.3 1.3 29.5 191.4 44 53 A T E < +B 108 0A 0 -4,-2.0 2,-0.3 -8,-0.3 64,-0.2 -0.615 45.0 154.4 -83.8 129.9 4.7 28.1 190.7 45 54 A F E -B 107 0A 34 62,-1.8 62,-3.8 -2,-0.4 2,-0.3 -0.996 43.1-123.4-152.4 145.1 7.8 30.4 191.2 46 55 A K >> - 0 0 19 -2,-0.3 4,-2.5 60,-0.2 3,-0.8 -0.703 41.2-113.4 -82.9 145.3 11.5 30.0 191.9 47 56 A Q H 3> S+ 0 0 4 58,-0.3 4,-1.6 -2,-0.3 3,-0.2 0.918 120.4 42.2 -47.1 -49.7 12.2 32.1 195.0 48 57 A Y H 3> S+ 0 0 74 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.755 110.8 58.9 -69.0 -22.7 14.4 34.5 192.9 49 58 A E H <> S+ 0 0 38 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.892 103.6 50.6 -71.3 -40.2 11.7 34.4 190.2 50 59 A Y H X S+ 0 0 34 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.936 107.6 53.2 -62.8 -47.9 9.0 35.6 192.5 51 60 A L H X S+ 0 0 1 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 0.872 108.7 49.6 -55.6 -43.1 11.2 38.6 193.7 52 61 A N H X S+ 0 0 14 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.940 112.7 45.9 -64.3 -47.5 11.8 39.7 190.1 53 62 A D H X S+ 0 0 55 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.938 112.3 51.7 -60.8 -46.7 8.1 39.6 189.2 54 63 A L H < S+ 0 0 21 -4,-3.0 3,-0.3 1,-0.2 -1,-0.2 0.936 115.6 41.0 -54.2 -49.9 7.2 41.4 192.4 55 64 A F H >< S+ 0 0 3 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.788 113.6 54.3 -69.9 -27.6 9.7 44.2 191.7 56 65 A M H 3< S+ 0 0 78 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.738 100.7 59.4 -78.7 -22.3 8.8 44.2 188.0 57 66 A K T 3< S+ 0 0 161 -4,-1.9 -1,-0.2 -3,-0.3 -2,-0.2 0.324 110.7 43.7 -86.6 6.5 5.1 44.7 188.8 58 67 A N X + 0 0 60 -3,-0.8 3,-1.6 -5,-0.1 -1,-0.3 -0.474 63.4 160.1-149.1 66.5 6.0 48.0 190.7 59 68 A P T 3 S+ 0 0 107 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.813 73.3 62.7 -61.9 -31.6 8.5 49.9 188.5 60 69 A A T 3 S+ 0 0 92 1,-0.1 2,-1.0 -3,-0.1 -3,-0.0 0.491 84.5 91.4 -73.6 -2.1 7.8 53.2 190.2 61 70 A I < + 0 0 51 -3,-1.6 2,-0.3 -6,-0.2 -1,-0.1 -0.789 55.8 163.0-100.4 95.7 9.1 51.6 193.4 62 71 A I + 0 0 125 -2,-1.0 4,-0.4 4,-0.0 26,-0.1 -0.750 33.5 46.8-109.7 157.6 12.8 52.4 193.7 63 72 A G S > S- 0 0 17 25,-0.4 4,-1.9 -2,-0.3 5,-0.2 0.147 85.0 -94.3 92.3 148.4 15.1 52.2 196.7 64 73 A H H > S+ 0 0 47 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.898 118.7 56.4 -65.1 -41.2 15.4 49.5 199.3 65 74 A E H > S+ 0 0 119 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.958 113.0 37.5 -54.4 -61.9 13.0 51.1 201.8 66 75 A A H >> S+ 0 0 41 -4,-0.4 3,-0.7 1,-0.2 4,-0.6 0.903 117.2 53.1 -60.5 -42.5 10.0 51.3 199.5 67 76 A R H >< S+ 0 0 19 -4,-1.9 3,-1.1 1,-0.3 4,-0.3 0.877 103.4 55.8 -62.8 -38.4 10.8 48.0 197.8 68 77 A Y H >< S+ 0 0 48 -4,-2.8 3,-0.9 1,-0.3 -1,-0.3 0.750 99.0 64.0 -65.2 -21.5 10.9 46.2 201.2 69 78 A K H X< S+ 0 0 132 -4,-0.8 3,-1.6 -3,-0.7 -1,-0.3 0.777 83.7 77.2 -71.1 -26.8 7.4 47.5 201.7 70 79 A L T << S+ 0 0 30 -3,-1.1 -1,-0.2 -4,-0.6 -2,-0.2 0.676 82.5 65.8 -57.8 -21.0 6.2 45.4 198.8 71 80 A F T < S- 0 0 14 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.743 81.3-157.7 -75.4 -23.2 6.2 42.3 200.9 72 81 A N < + 0 0 153 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.713 68.7 79.5 51.1 22.1 3.5 43.5 203.2 73 82 A S > - 0 0 11 1,-0.1 4,-2.3 2,-0.0 5,-0.2 -0.846 62.8-158.9-161.9 119.7 4.8 41.0 205.7 74 83 A P H > S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.887 99.3 48.7 -62.8 -43.1 7.9 41.2 208.1 75 84 A T H > S+ 0 0 0 70,-0.2 4,-1.5 2,-0.2 5,-0.1 0.914 113.9 44.9 -64.9 -46.3 8.1 37.4 208.5 76 85 A L H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.893 110.5 54.8 -66.8 -40.1 7.9 36.7 204.7 77 86 A L H X S+ 0 0 48 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.906 107.3 51.0 -59.2 -42.0 10.4 39.5 204.0 78 87 A F H < S+ 0 0 60 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 115.6 42.5 -62.7 -37.5 12.8 37.8 206.4 79 88 A L H < S+ 0 0 2 -4,-1.5 24,-0.6 -5,-0.1 -2,-0.2 0.740 129.5 22.8 -82.8 -25.0 12.3 34.5 204.6 80 89 A L H < S+ 0 0 0 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.731 91.1 104.5-114.6 -30.8 12.4 35.8 201.0 81 90 A S < - 0 0 25 -4,-2.4 3,-0.1 -5,-0.4 -13,-0.0 -0.165 52.0-154.3 -54.5 146.8 14.3 39.1 200.8 82 91 A R - 0 0 49 1,-0.3 2,-0.3 2,-0.1 -1,-0.1 0.894 49.0 -45.4 -89.1 -86.5 17.8 39.1 199.4 83 92 A G > - 0 0 26 1,-0.1 4,-3.9 -19,-0.0 5,-0.3 -0.988 40.5-112.6-150.6 159.2 20.0 41.9 200.7 84 93 A K H > S+ 0 0 138 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.966 120.0 37.5 -55.8 -58.1 20.0 45.6 201.3 85 94 A A H > S+ 0 0 64 1,-0.2 4,-3.7 2,-0.2 -1,-0.2 0.927 119.5 50.0 -60.0 -45.4 22.5 46.4 198.6 86 95 A A H 4 S+ 0 0 40 1,-0.2 4,-0.4 2,-0.2 -2,-0.2 0.896 112.2 47.1 -59.9 -42.5 21.0 43.7 196.3 87 96 A T H < S+ 0 0 2 -4,-3.9 3,-0.4 2,-0.2 -1,-0.2 0.876 116.6 44.8 -67.3 -37.7 17.5 45.1 196.9 88 97 A E H < S+ 0 0 84 -4,-2.5 -25,-0.4 -5,-0.3 -2,-0.2 0.946 114.0 47.5 -70.5 -50.9 18.7 48.6 196.2 89 98 A N S < S+ 0 0 103 -4,-3.7 -1,-0.2 -5,-0.2 -2,-0.2 0.436 85.6 124.9 -73.5 1.5 20.8 47.8 193.1 90 99 A W + 0 0 16 -4,-0.4 2,-0.3 -3,-0.4 5,-0.2 -0.319 31.8 154.8 -64.4 146.3 17.9 45.7 191.6 91 100 A S B > -F 94 0B 47 3,-1.0 3,-1.1 -29,-0.1 -35,-0.1 -0.980 59.5-100.0-163.8 166.7 16.8 46.6 188.1 92 101 A I T 3 S+ 0 0 113 -2,-0.3 3,-0.2 1,-0.3 -2,-0.1 0.599 128.5 43.5 -69.9 -9.3 15.2 45.3 184.9 93 102 A E T 3 S+ 0 0 93 1,-0.2 -1,-0.3 2,-0.0 -3,-0.0 0.371 119.1 43.0-113.3 -1.4 18.7 45.0 183.6 94 103 A N B < S+F 91 0B 96 -3,-1.1 -3,-1.0 2,-0.0 -1,-0.2 -0.493 83.0 178.8-144.9 66.4 20.2 43.5 186.7 95 104 A L - 0 0 73 -3,-0.2 2,-0.5 -5,-0.2 -3,-0.1 -0.051 36.8 -88.4 -67.7 168.2 17.7 40.9 187.9 96 105 A F - 0 0 14 -48,-0.3 2,-0.2 -47,-0.1 -44,-0.1 -0.680 43.6-163.4 -82.3 123.0 17.8 38.5 190.9 97 106 A E - 0 0 153 -2,-0.5 -3,-0.0 1,-0.2 -1,-0.0 -0.490 37.4 -71.2 -98.2 173.6 19.6 35.2 190.2 98 107 A E - 0 0 87 -2,-0.2 2,-0.4 1,-0.0 -1,-0.2 -0.323 48.2-152.1 -64.0 149.3 19.4 32.1 192.2 99 108 A K > - 0 0 90 1,-0.1 3,-2.8 -3,-0.1 -51,-0.1 -0.994 18.0-131.1-131.0 127.6 21.3 32.2 195.6 100 109 A Q T 3 S+ 0 0 142 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.777 107.3 44.4 -43.9 -38.3 22.8 29.2 197.4 101 110 A N T 3 S+ 0 0 102 -3,-0.0 -1,-0.3 2,-0.0 -3,-0.0 0.370 75.8 139.3 -95.8 9.8 21.2 30.1 200.7 102 111 A D < - 0 0 26 -3,-2.8 -22,-0.1 1,-0.1 -23,-0.0 -0.234 59.0-126.2 -52.4 138.9 17.7 31.0 199.5 103 112 A T S S+ 0 0 23 -24,-0.6 2,-0.3 2,-0.0 -1,-0.1 0.842 85.6 33.5 -55.1 -39.1 15.2 29.6 202.0 104 113 A A - 0 0 5 -25,-0.2 -57,-0.3 1,-0.1 14,-0.2 -0.843 52.7-154.9-125.5 159.0 13.2 27.7 199.4 105 114 A D S S+ 0 0 46 12,-1.5 2,-0.4 1,-0.3 -58,-0.3 0.791 90.6 19.1 -93.8 -38.7 13.6 25.8 196.1 106 115 A I E - C 0 117A 0 11,-2.4 11,-2.8 -60,-0.2 2,-0.5 -0.998 65.8-154.9-138.1 139.8 10.1 26.4 194.9 107 116 A L E -BC 45 116A 0 -62,-3.8 -62,-1.8 -2,-0.4 2,-0.5 -0.958 7.0-174.4-117.2 126.4 7.4 28.9 195.8 108 117 A L E +BC 44 115A 0 7,-2.0 7,-2.1 -2,-0.5 2,-0.4 -0.964 14.1 176.7-120.2 114.0 3.6 28.3 195.4 109 118 A V E + C 0 114A 20 -66,-1.5 2,-0.3 -2,-0.5 5,-0.2 -0.943 10.0 149.6-123.3 141.4 1.4 31.3 196.2 110 119 A K E > + C 0 113A 125 3,-2.3 3,-1.5 -2,-0.4 -67,-0.1 -0.899 67.2 9.8-167.8 136.9 -2.4 31.8 195.9 111 120 A D T 3 S- 0 0 94 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.877 130.0 -59.6 57.7 39.8 -5.0 33.8 197.8 112 121 A Q T 3 S+ 0 0 157 1,-0.2 2,-0.5 43,-0.0 -1,-0.3 0.646 113.1 123.2 65.6 13.8 -2.2 35.6 199.6 113 122 A F E < -C 110 0A 38 -3,-1.5 -3,-2.3 42,-0.0 2,-0.4 -0.922 47.2-155.1-110.8 133.6 -1.0 32.3 201.0 114 123 A Y E -Cd 109 155A 20 40,-2.6 42,-1.9 -2,-0.5 2,-0.5 -0.868 9.1-162.3-113.4 140.0 2.6 31.0 200.4 115 124 A E E -Cd 108 156A 1 -7,-2.1 -7,-2.0 -2,-0.4 2,-1.0 -0.964 10.6-153.3-118.9 112.7 4.0 27.5 200.4 116 125 A L E -Cd 107 157A 2 40,-3.2 42,-1.7 -2,-0.5 2,-0.6 -0.749 16.2-164.2 -88.2 100.7 7.8 27.2 200.7 117 126 A L E -Cd 106 158A 0 -11,-2.8 -11,-2.4 -2,-1.0 -12,-1.5 -0.775 10.9-178.7 -94.1 120.2 8.7 24.0 199.0 118 127 A D E - d 0 159A 20 40,-2.4 42,-1.5 -2,-0.6 2,-0.5 -0.969 12.2-156.2-117.8 115.7 12.1 22.6 199.7 119 128 A V E - d 0 160A 10 -2,-0.5 2,-0.5 40,-0.2 42,-0.2 -0.836 2.8-158.9 -99.0 127.8 12.9 19.3 197.9 120 129 A K E - d 0 161A 37 40,-2.8 42,-3.2 -2,-0.5 2,-0.3 -0.891 4.8-152.0-107.4 125.6 15.6 16.9 199.2 121 130 A T E - d 0 162A 53 -2,-0.5 2,-0.3 40,-0.2 42,-0.2 -0.670 13.0-165.9 -93.5 151.5 17.3 14.4 197.0 122 131 A R E - d 0 163A 50 40,-2.3 42,-2.9 -2,-0.3 2,-1.2 -0.960 23.1-136.4-146.0 124.9 18.6 11.1 198.4 123 132 A N E > - d 0 164A 55 -2,-0.3 3,-1.8 40,-0.2 5,-0.2 -0.649 18.3-166.5 -78.4 97.1 21.0 8.4 197.1 124 133 A I T 3 S+ 0 0 53 40,-2.5 -1,-0.2 -2,-1.2 41,-0.2 0.570 77.4 79.8 -63.7 -8.4 19.1 5.2 198.1 125 134 A S T 3 S+ 0 0 73 39,-0.4 2,-0.3 2,-0.0 -1,-0.3 0.518 96.7 49.0 -77.0 -2.9 22.2 3.2 197.4 126 135 A K S < S- 0 0 133 -3,-1.8 2,-0.8 2,-0.0 0, 0.0 -0.933 75.8-134.5-134.4 156.9 23.5 4.3 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244 A S H X S+ 0 0 51 -4,-2.3 4,-1.0 1,-0.2 5,-0.3 0.852 101.4 59.5 -56.2 -39.1 27.8 19.6 225.9 236 245 A M H X S+ 0 0 2 -4,-2.0 4,-3.4 1,-0.2 3,-0.4 0.893 104.7 48.6 -59.8 -41.2 30.6 21.8 224.3 237 246 A I H X>S+ 0 0 51 -4,-0.6 5,-2.9 -3,-0.5 4,-1.3 0.939 111.3 48.4 -66.0 -46.3 32.5 22.0 227.6 238 247 A D H <5S+ 0 0 102 -4,-1.7 -1,-0.2 3,-0.2 -2,-0.2 0.622 126.6 28.0 -69.7 -12.6 32.4 18.3 228.3 239 248 A K H <5S+ 0 0 114 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.712 129.6 31.2-119.9 -30.4 33.5 17.5 224.8 240 249 A F H <5S+ 0 0 5 -4,-3.4 -3,-0.2 -5,-0.3 245,-0.2 0.366 132.0 21.5-112.0 2.0 35.6 20.4 223.4 241 250 A V T >X5S+ 0 0 7 -4,-1.3 3,-2.4 -5,-0.4 4,-1.3 0.563 112.9 54.1-128.9 -69.3 37.2 21.6 226.6 242 251 A K T 34 S+ 0 0 11 -3,-2.4 3,-1.7 1,-0.1 4,-0.7 0.440 83.3 96.7-113.3 -3.3 41.8 18.9 226.1 245 254 A K T 3< S+ 0 0 115 -4,-1.3 -1,-0.1 -3,-0.4 -3,-0.1 0.466 75.5 70.0 -66.4 0.8 42.5 20.9 229.3 246 255 A K T 34 S+ 0 0 141 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.276 96.1 48.3-102.2 9.2 45.4 18.6 229.8 247 256 A Y T <4 0 0 27 -3,-1.7 -2,-0.2 231,-0.1 -1,-0.1 0.595 360.0 360.0-118.0 -24.2 47.6 19.9 227.0 248 257 A I < 0 0 91 -4,-0.7 -2,-0.1 230,-0.1 231,-0.1 0.993 360.0 360.0 -62.1 360.0 47.3 23.6 227.6 249 !* 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 0.0 250 2 B S 0 0 38 0, 0.0 186,-0.0 0, 0.0 121,-0.0 0.000 360.0 360.0 360.0 138.0 55.7 20.0 200.9 251 3 B F + 0 0 45 2,-0.1 4,-0.2 1,-0.1 114,-0.0 0.674 360.0 49.4 -92.2 -22.9 56.3 17.9 197.8 252 4 B I S > S+ 0 0 0 2,-0.1 3,-1.9 1,-0.1 4,-0.2 0.854 96.9 67.1 -84.0 -40.7 54.2 20.3 195.6 253 5 B K G > S+ 0 0 116 1,-0.3 3,-2.3 2,-0.2 4,-0.5 0.897 90.0 64.3 -49.1 -49.3 55.7 23.6 196.7 254 6 B P G 3 S+ 0 0 100 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.787 119.8 25.5 -49.0 -27.5 59.1 22.8 195.0 255 7 B I G X> S+ 0 0 41 -3,-1.9 3,-1.3 -4,-0.2 4,-1.2 0.131 86.1 116.9-124.3 22.8 57.2 22.8 191.7 256 8 B Y H X> S+ 0 0 52 -3,-2.3 4,-2.9 1,-0.3 3,-0.9 0.923 71.1 61.5 -53.5 -51.4 54.2 25.1 192.6 257 9 B Q H 3> S+ 0 0 70 -4,-0.5 4,-1.1 1,-0.3 -1,-0.3 0.749 104.9 51.3 -49.0 -26.4 55.3 27.8 190.0 258 10 B D H <> S+ 0 0 83 -3,-1.3 4,-2.1 2,-0.2 -1,-0.3 0.832 109.6 47.4 -80.8 -36.3 54.7 25.0 187.4 259 11 B I H < S+ 0 0 3 -4,-2.3 3,-3.5 -5,-0.1 166,-0.3 0.941 85.5 90.2 -79.8 -51.9 46.3 26.0 185.6 264 16 B I T 3< S+ 0 0 68 -4,-2.1 166,-0.2 1,-0.3 3,-0.1 -0.274 101.2 20.9 -49.8 108.4 46.0 29.6 184.7 265 17 B G T 3 S+ 0 0 42 164,-1.3 -1,-0.3 1,-0.4 -2,-0.1 0.116 88.5 133.6 117.0 -21.7 44.0 29.4 181.5 266 18 B Q < - 0 0 72 -3,-3.5 163,-2.2 -4,-0.1 -1,-0.4 -0.306 41.2-151.4 -62.4 146.8 42.5 26.0 181.9 267 19 B K E -J 428 0E 121 161,-0.2 2,-0.4 -3,-0.1 161,-0.2 -0.877 12.0-166.8-122.2 154.0 38.8 25.7 181.2 268 20 B V E -J 427 0E 18 159,-1.9 159,-3.0 -2,-0.3 2,-0.2 -0.984 32.3-109.2-143.3 128.5 36.0 23.5 182.5 269 21 B K E -J 426 0E 164 -2,-0.4 157,-0.2 157,-0.2 -2,-0.0 -0.389 40.4-123.9 -58.4 118.3 32.5 23.1 181.1 270 22 B R - 0 0 61 155,-0.9 -1,-0.1 -2,-0.2 5,-0.1 -0.277 24.5-106.1 -62.6 149.6 30.1 24.7 183.5 271 23 B P 0 0 74 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.690 360.0 360.0 -50.1 -20.7 27.3 22.5 184.9 272 24 B K 0 0 139 2,-0.0 153,-0.0 153,-0.0 -3,-0.0 0.913 360.0 360.0 61.8 360.0 24.9 24.5 182.6 273 ! 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 0.0 274 27 B T 0 0 54 0, 0.0 -2,-0.0 0, 0.0 -175,-0.0 0.000 360.0 360.0 360.0 159.4 24.0 26.6 189.6 275 28 B L + 0 0 46 -5,-0.1 2,-0.3 -4,-0.1 147,-0.0 0.068 360.0 66.5-110.7 20.9 27.5 28.1 189.9 276 29 B S S > S+ 0 0 35 -176,-0.0 4,-0.6 103,-0.0 3,-0.2 -0.966 71.0 46.7-140.8 155.9 27.6 27.8 193.7 277 30 B G T 4 S- 0 0 26 -2,-0.3 -177,-0.0 2,-0.2 0, 0.0 -0.134 93.5 -68.6 100.0 162.3 27.8 25.1 196.3 278 31 B H T >4 S+ 0 0 107 1,-0.2 3,-0.9 2,-0.1 4,-0.2 0.827 131.6 59.6 -56.5 -32.5 29.7 21.8 196.8 279 32 B A T 34 S+ 0 0 57 1,-0.3 2,-1.7 -3,-0.2 -1,-0.2 0.981 104.6 45.3 -59.9 -60.2 27.8 20.5 193.8 280 33 B A T 3< S+ 0 0 13 -4,-0.6 -1,-0.3 1,-0.1 -3,-0.2 -0.209 89.5 132.9 -79.4 46.8 29.0 23.2 191.4 281 34 B G < - 0 0 22 -2,-1.7 -2,-0.1 -3,-0.9 -1,-0.1 0.738 60.3 -88.7 -66.0-119.8 32.5 22.6 192.7 282 35 B E > - 0 0 17 -4,-0.2 3,-2.2 -3,-0.0 4,-0.3 -0.756 9.7-151.2-168.9 116.2 35.3 22.3 190.2 283 36 B P T >> S+ 0 0 72 0, 0.0 4,-1.9 0, 0.0 3,-0.8 0.459 84.8 101.1 -64.4 5.0 36.9 19.4 188.4 284 37 B F H 3> S+ 0 0 0 1,-0.3 4,-1.9 2,-0.2 5,-0.1 0.841 75.2 56.8 -57.5 -30.8 39.8 21.8 188.7 285 38 B E H <> S+ 0 0 35 -3,-2.2 4,-2.4 2,-0.2 -1,-0.3 0.829 102.9 52.2 -70.6 -29.6 40.8 19.5 191.5 286 39 B K H <> S+ 0 0 145 -3,-0.8 4,-2.6 -4,-0.3 -2,-0.2 0.856 107.7 53.2 -71.2 -32.4 40.8 16.7 188.9 287 40 B L H X S+ 0 0 41 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.864 108.1 49.2 -68.2 -37.6 43.0 18.9 186.9 288 41 B V H X S+ 0 0 0 -4,-1.9 4,-2.8 2,-0.2 5,-0.3 0.945 111.5 49.3 -66.0 -48.5 45.4 19.3 189.8 289 42 B Y H X S+ 0 0 45 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.943 107.8 53.5 -55.1 -52.2 45.5 15.5 190.4 290 43 B K H X S+ 0 0 119 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.869 112.7 45.3 -51.6 -39.8 46.2 14.9 186.7 291 44 B F H X S+ 0 0 15 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.905 113.5 47.0 -73.2 -43.9 49.2 17.2 186.9 292 45 B L H X S+ 0 0 1 -4,-2.8 4,-1.5 1,-0.2 8,-0.3 0.841 109.7 55.6 -66.9 -31.2 50.5 15.9 190.2 293 46 B K H < S+ 0 0 61 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.807 111.0 45.6 -70.7 -27.5 50.1 12.4 188.8 294 47 B E H < S+ 0 0 118 -4,-1.0 3,-0.5 -5,-0.3 -2,-0.2 0.921 122.3 31.9 -80.4 -47.7 52.3 13.4 185.8 295 48 B N H < S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.549 136.7 25.5 -88.4 -8.7 55.1 15.2 187.6 296 49 B L >X + 0 0 33 -4,-1.5 4,-2.3 -5,-0.3 3,-1.4 -0.351 69.1 153.9-150.6 60.1 55.0 13.1 190.8 297 50 B S T 34 S+ 0 0 60 -3,-0.5 -3,-0.1 1,-0.3 -2,-0.1 0.825 76.2 51.6 -61.9 -34.9 53.5 9.7 189.8 298 51 B D T 34 S+ 0 0 138 1,-0.2 -1,-0.3 -3,-0.1 67,-0.1 0.468 118.7 37.7 -82.9 0.4 55.2 7.8 192.6 299 52 B L T <4 S+ 0 0 22 -3,-1.4 66,-1.1 -7,-0.2 2,-0.4 0.655 90.8 96.6-120.7 -24.8 53.9 10.2 195.1 300 53 B T E < +K 364 0E 0 -4,-2.3 2,-0.3 -8,-0.3 64,-0.2 -0.565 44.8 158.6 -78.3 123.6 50.4 11.2 194.0 301 54 B F E -K 363 0E 33 62,-2.3 62,-3.9 -2,-0.4 2,-0.3 -1.000 39.7-131.3-144.8 139.9 47.5 9.3 195.6 302 55 B K >> - 0 0 18 -2,-0.3 4,-2.4 60,-0.2 3,-0.6 -0.659 41.5-111.8 -81.5 150.0 43.8 9.8 196.1 303 56 B Q H 3> S+ 0 0 4 57,-0.4 4,-1.6 58,-0.4 -1,-0.1 0.913 121.0 43.4 -51.6 -44.8 43.1 9.1 199.8 304 57 B Y H 3> S+ 0 0 67 1,-0.2 4,-1.9 2,-0.2 48,-0.3 0.753 110.3 58.2 -71.8 -22.4 41.1 6.0 198.8 305 58 B E H <> S+ 0 0 51 -3,-0.6 4,-1.9 2,-0.2 -2,-0.2 0.886 104.4 49.8 -73.5 -38.9 43.7 5.1 196.3 306 59 B Y H X S+ 0 0 18 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.915 110.8 49.8 -66.2 -41.8 46.5 5.0 198.9 307 60 B L H X S+ 0 0 1 -4,-1.6 4,-2.3 -5,-0.2 5,-0.2 0.933 109.8 50.1 -63.1 -45.9 44.4 2.7 201.2 308 61 B N H X S+ 0 0 16 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.904 114.3 46.1 -58.9 -40.3 43.6 0.3 198.4 309 62 B D H X S+ 0 0 55 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.954 109.2 53.6 -65.6 -51.5 47.3 0.2 197.6 310 63 B L H < S+ 0 0 20 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.858 115.5 41.0 -51.5 -40.9 48.3 -0.3 201.3 311 64 B F H >< S+ 0 0 8 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.813 106.6 62.6 -79.3 -32.9 46.0 -3.3 201.6 312 65 B M H 3< S+ 0 0 118 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.812 101.0 52.9 -62.3 -33.4 46.8 -4.8 198.2 313 66 B K T 3< S+ 0 0 138 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.1 0.181 104.3 60.8 -89.7 17.3 50.5 -5.3 199.2 314 67 B N X + 0 0 39 -3,-1.5 3,-0.8 3,-0.1 -1,-0.2 -0.409 54.0 155.6-140.7 60.8 49.5 -7.2 202.4 315 68 B P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.865 75.8 55.6 -54.1 -43.1 47.5 -10.3 201.3 316 69 B A T 3 S+ 0 0 85 -3,-0.1 2,-0.7 1,-0.1 -2,-0.0 0.804 91.9 83.5 -62.9 -31.2 48.3 -12.2 204.5 317 70 B I < + 0 0 35 -3,-0.8 2,-0.3 -6,-0.1 -3,-0.1 -0.674 59.4 162.0 -82.2 112.2 46.9 -9.4 206.6 318 71 B I + 0 0 107 -2,-0.7 4,-0.5 5,-0.0 26,-0.1 -0.892 32.1 44.9-127.2 158.2 43.1 -9.7 207.0 319 72 B G S > S- 0 0 5 25,-0.4 4,-1.9 -2,-0.3 5,-0.1 0.162 85.2 -91.6 89.8 150.0 40.6 -8.2 209.4 320 73 B H H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.906 122.4 55.9 -63.0 -42.9 40.3 -4.6 210.6 321 74 B E H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.959 113.4 39.1 -53.7 -57.1 42.4 -5.2 213.6 322 75 B A H 4 S+ 0 0 22 -4,-0.5 4,-0.3 1,-0.2 -1,-0.2 0.817 116.5 53.0 -64.8 -31.5 45.4 -6.5 211.6 323 76 B R H >< S+ 0 0 22 -4,-1.9 3,-0.8 1,-0.2 4,-0.3 0.816 101.8 57.1 -76.1 -31.9 44.8 -3.9 208.8 324 77 B Y H >< S+ 0 0 51 -4,-2.6 3,-2.0 1,-0.2 4,-0.5 0.901 98.7 60.0 -66.4 -39.1 44.8 -0.8 211.1 325 78 B K G >< S+ 0 0 128 -4,-1.3 3,-0.7 1,-0.3 -1,-0.2 0.688 87.3 78.6 -62.3 -15.0 48.3 -1.7 212.5 326 79 B L G < S+ 0 0 33 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.2 0.745 83.6 62.3 -65.5 -22.2 49.4 -1.3 208.8 327 80 B F G < S- 0 0 10 -3,-2.0 -1,-0.2 -4,-0.3 -2,-0.2 0.844 86.6-156.7 -71.4 -33.4 49.3 2.5 209.2 328 81 B N < + 0 0 130 -3,-0.7 -3,-0.1 -4,-0.5 -2,-0.1 0.862 66.1 80.7 57.9 37.0 52.0 2.3 211.9 329 82 B S > - 0 0 9 1,-0.1 4,-1.9 2,-0.0 5,-0.1 -0.745 64.2-154.7-172.1 119.1 50.7 5.6 213.2 330 83 B P H > S+ 0 0 59 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.876 100.0 48.0 -66.1 -37.3 47.8 6.5 215.4 331 84 B T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.925 113.8 44.8 -69.9 -47.1 47.5 10.0 214.1 332 85 B L H >>S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 5,-0.6 0.850 112.4 54.5 -64.8 -33.7 47.7 9.0 210.4 333 86 B L H X5S+ 0 0 48 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.915 109.2 47.7 -64.7 -42.9 45.2 6.2 211.2 334 87 B F H <5S+ 0 0 68 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.932 119.3 38.6 -62.4 -47.9 42.8 8.8 212.7 335 88 B L H <5S+ 0 0 2 -4,-2.4 24,-0.5 1,-0.1 25,-0.2 0.732 130.8 23.7 -76.2 -28.7 43.1 11.1 209.7 336 89 B L H <5S+ 0 0 0 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.788 93.4 102.9-109.9 -36.5 43.2 8.6 206.8 337 90 B S << - 0 0 28 -4,-1.5 2,-0.2 -5,-0.6 3,-0.1 0.206 57.1-135.0 -47.5 165.8 41.6 5.3 207.9 338 91 B R - 0 0 24 1,-0.3 -1,-0.1 2,-0.1 5,-0.1 -0.687 39.9 -65.3-118.4 173.1 38.1 4.1 207.0 339 92 B G > - 0 0 43 -2,-0.2 4,-2.1 1,-0.1 -1,-0.3 0.085 45.1-110.1 -55.3 170.1 35.4 2.6 209.2 340 93 B K H > S+ 0 0 129 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.974 117.0 41.6 -67.3 -58.1 35.7 -0.8 211.0 341 94 B A H > S+ 0 0 63 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.851 116.7 51.6 -59.3 -35.1 33.2 -2.7 208.9 342 95 B A H > S+ 0 0 41 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.904 112.0 44.6 -69.1 -40.9 34.6 -1.1 205.8 343 96 B T H < S+ 0 0 1 -4,-2.1 3,-0.4 2,-0.2 -24,-0.2 0.854 115.7 49.0 -70.1 -34.6 38.2 -2.0 206.7 344 97 B E H < S+ 0 0 78 -4,-2.7 -25,-0.4 1,-0.2 -2,-0.2 0.910 113.6 45.7 -69.8 -43.6 37.0 -5.5 207.6 345 98 B N H < S+ 0 0 101 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.429 85.1 120.8 -81.9 -2.0 35.1 -6.0 204.3 346 99 B W < + 0 0 18 -4,-0.5 2,-0.3 -3,-0.4 -27,-0.2 -0.293 33.2 139.1 -62.4 149.6 37.8 -4.7 202.0 347 100 B S B > -O 350 0F 33 3,-0.6 3,-1.8 1,-0.1 -35,-0.1 -0.967 65.2 -76.7-176.7 172.9 39.1 -7.0 199.3 348 101 B I T 3 S+ 0 0 139 1,-0.3 3,-0.4 -2,-0.3 -1,-0.1 0.863 128.9 40.5 -49.9 -46.4 40.2 -7.3 195.7 349 102 B E T 3 S+ 0 0 159 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 -0.083 118.8 47.6 -99.1 35.5 36.7 -7.3 194.4 350 103 B N B < S+O 347 0F 90 -3,-1.8 -3,-0.6 2,-0.0 -1,-0.2 -0.166 75.1 171.4-169.3 59.5 35.5 -4.6 196.8 351 104 B L - 0 0 77 -3,-0.4 2,-0.2 -5,-0.2 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S+ 0 0 22 -2,-1.1 4,-1.7 4,-0.3 3,-0.3 0.879 80.5 50.4 -63.5 -41.5 31.4 27.0 215.1 450 203 B A T 4 S+ 0 0 20 1,-0.3 2,-2.1 2,-0.2 -254,-1.2 0.888 99.9 66.7 -65.1 -39.4 28.1 27.1 213.2 451 204 B A B >4 S-I 195 0D 25 1,-0.2 3,-1.5 3,-0.2 -1,-0.3 -0.381 138.9 -69.7 -83.4 62.4 29.8 26.1 209.9 452 205 B A T 34 S- 0 0 35 -2,-2.1 -60,-0.2 -258,-1.5 -2,-0.2 0.854 80.9 -72.9 55.3 41.5 30.6 22.6 211.2 453 206 B M T 3< S+ 0 0 20 -4,-1.7 -61,-3.6 -259,-0.2 -60,-0.5 0.806 90.5 166.6 46.6 32.4 33.2 23.9 213.6 454 207 B Q E < -PQ 391 448G 36 -3,-1.5 -6,-2.4 -6,-1.0 -63,-0.2 -0.555 41.0-125.9 -85.2 141.4 35.3 24.5 210.5 455 208 B I E -PQ 390 447G 0 -65,-3.1 -66,-3.2 -2,-0.2 -65,-0.6 -0.568 36.4-162.6 -74.7 146.5 38.4 26.6 210.3 456 209 B Q E +PQ 388 446G 15 -10,-1.6 -10,-0.5 -68,-0.2 2,-0.3 -0.997 27.2 121.6-141.0 143.3 38.0 29.2 207.6 457 210 B F - 0 0 23 -70,-1.0 2,-0.5 -2,-0.3 3,-0.1 -0.889 56.3-101.5 177.4 157.1 40.3 31.5 205.5 458 211 B H >> - 0 0 21 -2,-0.3 3,-2.4 -72,-0.2 4,-1.2 -0.864 31.3-132.5 -93.9 129.4 41.1 32.2 201.9 459 212 B V T 34 S+ 0 0 6 -2,-0.5 3,-0.3 1,-0.3 -1,-0.1 0.834 104.1 62.4 -47.7 -41.0 44.4 30.6 201.0 460 213 B R T 34 S+ 0 0 122 1,-0.2 -1,-0.3 -27,-0.1 -26,-0.1 0.656 108.8 42.1 -62.5 -16.7 45.7 33.8 199.4 461 214 B D T <4 S+ 0 0 111 -3,-2.4 -1,-0.2 2,-0.1 -2,-0.2 0.680 83.7 116.8-103.3 -24.0 45.4 35.6 202.7 462 215 B L < - 0 0 25 -4,-1.2 2,-0.2 -3,-0.3 -5,-0.0 -0.062 61.7-125.9 -48.9 146.7 46.8 33.0 205.2 463 216 B D - 0 0 59 -22,-0.1 -24,-0.1 1,-0.1 3,-0.1 -0.656 17.0-166.8 -95.1 152.7 50.0 34.0 207.0 464 217 B Q + 0 0 75 -2,-0.2 -24,-0.2 -24,-0.1 -1,-0.1 -0.212 52.9 109.8-132.7 42.7 53.2 31.8 207.0 465 218 B G + 0 0 58 2,-0.0 -25,-0.2 0, 0.0 -1,-0.1 0.495 32.5 128.3-100.8 -2.8 55.3 33.3 209.8 466 219 B F + 0 0 30 -27,-2.3 -25,-0.1 1,-0.1 7,-0.0 -0.308 27.6 176.1 -55.3 130.6 55.2 30.7 212.5 467 220 B N + 0 0 156 2,-0.1 -1,-0.1 0, 0.0 2,-0.1 0.008 43.3 94.8-128.6 26.6 58.8 30.0 213.6 468 221 B G S S- 0 0 33 1,-0.2 2,-0.1 2,-0.0 -2,-0.0 -0.373 80.7 -78.2-105.9-171.7 58.4 27.5 216.4 469 222 B T > - 0 0 78 -2,-0.1 4,-1.6 1,-0.1 -1,-0.2 -0.345 38.5-111.3 -83.5 170.2 58.4 23.7 216.6 470 223 B R H > S+ 0 0 52 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.863 118.1 57.7 -69.2 -34.6 55.5 21.5 215.5 471 224 B E H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.844 107.5 47.7 -63.2 -34.4 55.0 20.5 219.2 472 225 B E H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.853 108.1 55.0 -74.8 -35.2 54.5 24.1 220.1 473 226 B W H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.933 110.8 45.3 -62.3 -46.5 52.1 24.6 217.2 474 227 B A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.954 115.1 46.1 -62.2 -51.1 49.9 21.8 218.4 475 228 B K H X S+ 0 0 78 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.866 114.2 49.4 -60.1 -38.4 50.0 23.0 222.1 476 229 B S H X S+ 0 0 26 -4,-2.6 4,-2.0 2,-0.2 3,-0.2 0.916 110.7 49.8 -68.7 -42.3 49.3 26.5 221.0 477 230 B Y H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.946 107.2 53.9 -60.3 -50.8 46.4 25.5 218.8 478 231 B L H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.792 108.4 50.7 -54.5 -31.7 44.8 23.4 221.5 479 232 B K H X S+ 0 0 88 -4,-1.1 4,-2.5 -3,-0.2 -1,-0.2 0.938 112.0 45.6 -72.4 -45.7 44.9 26.4 223.8 480 233 B H H X S+ 0 0 22 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.860 113.7 51.8 -63.1 -35.9 43.2 28.6 221.2 481 234 B F H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.934 111.2 44.5 -68.0 -48.4 40.7 25.8 220.6 482 235 B V H X S+ 0 0 0 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.912 113.4 51.9 -63.7 -41.4 39.7 25.4 224.2 483 236 B T H X S+ 0 0 65 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.920 112.1 45.2 -60.9 -45.8 39.5 29.2 224.7 484 237 B Q H X S+ 0 0 57 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.806 106.7 59.5 -69.6 -29.7 37.2 29.6 221.7 485 238 B A H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.892 108.7 44.4 -66.1 -37.9 35.0 26.7 222.7 486 239 B E H X S+ 0 0 72 -4,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.827 111.3 55.2 -73.0 -32.2 34.3 28.4 226.0 487 240 B Q H X S+ 0 0 107 -4,-1.5 4,-2.3 2,-0.2 3,-0.3 0.929 110.2 44.7 -65.4 -47.3 33.7 31.7 224.1 488 241 B R H X S+ 0 0 41 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.929 107.2 58.9 -63.2 -46.0 31.1 30.0 221.9 489 242 B A H < S+ 0 0 8 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.817 113.5 39.5 -53.2 -33.4 29.4 28.3 224.8 490 243 B I H X S+ 0 0 98 -4,-1.2 4,-1.2 -3,-0.3 3,-0.5 0.843 113.4 52.1 -85.9 -38.6 28.8 31.8 226.4 491 244 B S H X S+ 0 0 43 -4,-2.3 4,-1.3 1,-0.2 5,-0.3 0.815 100.2 64.9 -68.6 -29.0 27.9 33.6 223.2 492 245 B M H X S+ 0 0 3 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.846 101.3 49.7 -61.6 -35.0 25.3 31.0 222.3 493 246 B I H >>S+ 0 0 62 -3,-0.5 5,-2.8 -4,-0.5 4,-1.3 0.906 110.7 49.1 -70.8 -41.5 23.3 32.0 225.4 494 247 B D H <5S+ 0 0 93 -4,-1.2 -1,-0.2 3,-0.2 -2,-0.2 0.693 123.8 30.5 -73.2 -16.9 23.4 35.6 224.5 495 248 B K H <5S+ 0 0 118 -4,-1.3 -2,-0.2 3,-0.1 -3,-0.2 0.738 130.6 29.3-111.8 -30.4 22.3 35.1 220.9 496 249 B F H <5S+ 0 0 4 -4,-2.7 -3,-0.2 -5,-0.3 -267,-0.2 0.439 131.5 27.5-111.0 -2.8 20.1 32.0 220.9 497 250 B V T >X5S+ 0 0 3 -4,-1.3 3,-2.2 -5,-0.3 4,-0.6 0.690 111.5 53.7-119.9 -63.4 18.6 32.2 224.4 498 251 B K G >4 S+ 0 0 1 1,-0.2 3,-0.9 2,-0.1 7,-0.2 0.675 95.7 77.9 -85.6 -19.6 49.2 -21.6 231.2 508 5 C K G > S+ 0 0 94 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.926 90.8 51.8 -56.0 -49.4 50.6 -18.7 229.1 509 6 C P G 3 S+ 0 0 105 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.727 117.2 42.6 -61.4 -18.0 53.9 -20.6 228.4 510 7 C I G <> S+ 0 0 53 -3,-0.9 4,-1.3 -4,-0.2 -2,-0.2 -0.088 81.3 109.1-117.4 31.9 51.6 -23.5 227.3 511 8 C Y H <> + 0 0 35 -3,-2.0 4,-3.0 2,-0.2 5,-0.2 0.845 69.1 62.4 -77.3 -33.9 49.1 -21.5 225.3 512 9 C Q H > S+ 0 0 147 -4,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.924 105.3 46.0 -57.3 -48.1 50.2 -22.7 221.9 513 10 C D H >> S+ 0 0 36 2,-0.2 4,-3.0 1,-0.2 3,-0.5 0.957 113.5 49.2 -59.8 -52.3 49.3 -26.3 222.7 514 11 C I H 3X S+ 0 0 4 -4,-1.3 4,-2.9 1,-0.3 5,-0.3 0.952 109.3 51.7 -51.1 -55.9 46.0 -25.3 224.1 515 12 C N H 3X S+ 0 0 37 -4,-3.0 4,-1.2 1,-0.2 -1,-0.3 0.801 115.1 44.5 -52.9 -31.3 45.1 -23.2 221.1 516 13 C S H << S+ 0 0 85 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.868 113.5 46.9 -83.2 -39.8 45.9 -26.2 218.9 517 14 C I H < S+ 0 0 78 -4,-3.0 4,-0.3 1,-0.1 -2,-0.2 0.882 113.5 49.4 -69.4 -39.6 44.1 -28.9 220.9 518 15 C L H >< S+ 0 0 3 -4,-2.9 3,-2.7 -5,-0.3 167,-0.4 0.977 90.6 84.3 -63.9 -58.4 41.0 -26.8 221.3 519 16 C I T 3< S+ 0 0 75 -4,-1.2 167,-0.2 -5,-0.3 3,-0.1 -0.269 103.2 18.1 -52.2 114.9 40.5 -25.8 217.6 520 17 C G T 3 S+ 0 0 56 165,-0.9 -1,-0.3 1,-0.4 -2,-0.1 -0.022 92.2 124.9 111.8 -28.1 38.7 -28.7 216.0 521 18 C Q < - 0 0 71 -3,-2.7 164,-1.3 -4,-0.3 -1,-0.4 -0.421 44.3-161.5 -66.6 136.2 37.4 -30.3 219.2 522 19 C K E -R 684 0H 46 162,-0.2 2,-0.4 -2,-0.1 162,-0.2 -0.909 15.9-167.8-126.6 153.0 33.6 -30.7 219.1 523 20 C V E -R 683 0H 21 160,-1.8 160,-3.6 -2,-0.3 17,-0.1 -0.999 33.1-103.4-137.6 137.4 30.8 -31.3 221.6 524 21 C K E -R 682 0H 71 -2,-0.4 158,-0.3 158,-0.3 157,-0.0 -0.116 51.7 -84.5 -55.7 154.7 27.2 -32.3 220.9 525 22 C R > - 0 0 28 156,-1.4 3,-2.4 1,-0.1 2,-0.3 -0.480 55.6 -97.7 -66.0 123.2 24.5 -29.6 221.1 526 23 C P G > S- 0 0 30 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.187 92.7 -35.3 -46.0 99.3 23.4 -29.2 224.8 527 24 C K G 3 S- 0 0 94 -2,-0.3 3,-0.1 1,-0.3 -2,-0.1 0.781 102.4 -81.2 51.0 29.6 20.3 -31.3 225.0 528 25 C S G < S+ 0 0 113 -3,-2.4 -1,-0.3 1,-0.1 2,-0.1 0.835 106.5 111.9 46.1 38.5 19.6 -30.2 221.4 529 26 C G S < S- 0 0 38 -3,-2.2 -1,-0.1 1,-0.4 -2,-0.1 -0.181 70.6 -30.0-115.9-151.1 18.2 -26.9 222.9 530 27 C T - 0 0 48 -3,-0.1 -1,-0.4 -2,-0.1 325,-0.0 -0.087 46.3-136.7 -62.6 166.6 19.1 -23.3 223.1 531 28 C L + 0 0 51 -3,-0.1 2,-0.3 -6,-0.1 5,-0.2 -0.381 66.5 91.2-124.2 53.3 22.8 -22.1 223.0 532 29 C S B > +W 535 0I 23 3,-0.8 3,-0.9 4,-0.1 2,-0.1 -0.885 68.0 15.3-140.4 170.8 22.9 -19.4 225.7 533 30 C G T 3 S- 0 0 62 -2,-0.3 4,-0.4 1,-0.2 5,-0.1 -0.363 124.6 -23.4 66.0-143.2 23.5 -18.9 229.4 534 31 C H T 3 S+ 0 0 111 1,-0.2 2,-1.1 2,-0.1 4,-0.5 0.790 131.9 71.3 -71.8 -28.0 25.3 -21.8 231.2 535 32 C A B < S+W 532 0I 45 -3,-0.9 -3,-0.8 1,-0.1 -1,-0.2 -0.746 84.8 60.2 -94.7 93.7 24.1 -24.2 228.5 536 33 C A S S+ 0 0 7 -2,-1.1 -1,-0.1 -5,-0.2 -2,-0.1 -0.060 117.1 4.2-169.4 -74.6 26.1 -23.4 225.3 537 34 C G S >> S+ 0 0 3 -4,-0.4 4,-1.0 96,-0.1 3,-0.8 0.132 89.8 116.3-116.8 18.2 29.8 -23.7 225.5 538 35 C E H >> S+ 0 0 106 -4,-0.5 4,-1.2 1,-0.2 3,-0.6 0.895 71.4 58.1 -53.6 -46.0 30.0 -25.1 229.0 539 36 C P H 3> S+ 0 0 40 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.845 97.4 62.6 -56.4 -33.5 31.5 -28.4 227.9 540 37 C F H <> S+ 0 0 0 -3,-0.8 4,-2.2 1,-0.2 5,-0.2 0.921 97.5 56.1 -57.1 -44.9 34.4 -26.5 226.3 541 38 C E H 4 + 0 0 30 -5,-0.2 3,-2.7 -4,-0.2 -2,-0.2 -0.063 65.8 140.6-148.9 35.3 49.7 -29.5 235.1 553 50 C S G >< + 0 0 60 -4,-0.8 3,-0.6 1,-0.3 -4,-0.1 0.690 65.7 75.5 -55.3 -18.7 48.0 -31.7 237.7 554 51 C D G 3 S+ 0 0 90 1,-0.2 -1,-0.3 -5,-0.0 -5,-0.1 0.643 116.8 11.2 -70.1 -14.9 50.7 -30.4 240.0 555 52 C L G < S+ 0 0 21 -3,-2.7 2,-0.5 -7,-0.2 66,-0.4 -0.057 96.4 111.4-157.9 46.4 48.8 -27.1 240.3 556 53 C T < + 0 0 0 -3,-0.6 2,-0.3 64,-0.2 64,-0.2 -0.920 31.7 159.9-130.9 107.5 45.4 -27.3 238.7 557 54 C F B -S 619 0H 43 62,-3.2 62,-4.4 -2,-0.5 2,-1.2 -0.933 40.6-126.7-126.5 150.0 42.3 -27.1 240.9 558 55 C K > - 0 0 12 -2,-0.3 3,-1.8 60,-0.2 2,-1.1 -0.620 50.6-100.6 -96.7 75.4 38.6 -26.2 240.1 559 56 C Q T >> S+ 0 0 5 -2,-1.2 4,-1.7 1,-0.3 3,-0.7 -0.226 121.3 38.7 49.9 -87.4 37.9 -23.4 242.6 560 57 C Y H 3> S+ 0 0 56 -2,-1.1 4,-2.2 1,-0.2 -1,-0.3 0.840 109.3 64.0 -58.4 -35.9 36.0 -25.5 245.2 561 58 C E H <> S+ 0 0 55 -3,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.878 103.6 47.4 -57.2 -39.9 38.4 -28.4 244.7 562 59 C Y H X> S+ 0 0 24 -3,-0.7 4,-2.8 1,-0.2 3,-1.1 0.945 107.8 55.2 -66.0 -48.6 41.2 -26.3 246.0 563 60 C L H 3X S+ 0 0 2 -4,-1.7 4,-1.2 1,-0.3 -2,-0.2 0.854 104.2 55.6 -52.1 -38.0 39.1 -25.2 249.0 564 61 C N H 3< S+ 0 0 15 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.824 112.6 42.0 -65.2 -31.9 38.6 -28.8 249.8 565 62 C D H + 0 0 53 3,-0.1 3,-1.9 1,-0.0 -1,-0.3 -0.325 59.9 151.3-150.3 57.4 43.9 -28.8 259.0 571 68 C P T 3 S+ 0 0 102 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 0.817 75.1 62.7 -61.2 -31.0 41.4 -31.0 260.9 572 69 C A T 3 S+ 0 0 88 1,-0.1 2,-0.7 -3,-0.1 6,-0.1 0.472 92.8 79.9 -72.8 -0.6 42.3 -29.0 264.1 573 70 C I < + 0 0 42 -3,-1.9 2,-0.3 -5,-0.1 -5,-0.2 -0.916 62.9 149.2-112.0 105.9 40.8 -26.1 262.2 574 71 C I + 0 0 99 -2,-0.7 4,-0.3 1,-0.3 26,-0.1 -0.994 40.9 11.9-142.2 148.0 37.0 -26.0 262.3 575 72 C G S S- 0 0 15 24,-0.4 3,-0.5 -2,-0.3 -1,-0.3 0.912 103.0 -45.6 56.8 108.3 34.2 -23.5 262.2 576 73 C H S > S+ 0 0 77 23,-0.6 3,-2.7 20,-0.3 5,-0.2 0.157 118.3 48.6 39.4-155.9 35.0 -19.8 261.3 577 74 C E T 3> S+ 0 0 79 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.006 120.2 34.1 33.7 -92.3 37.9 -18.1 263.0 578 75 C A H 3> S+ 0 0 34 -3,-0.5 4,-0.8 -4,-0.3 -1,-0.3 0.880 122.0 48.2 -53.0 -46.2 40.6 -20.7 262.4 579 76 C R H <4 S+ 0 0 10 -3,-2.7 4,-0.4 1,-0.2 3,-0.3 0.855 114.4 45.6 -65.6 -36.1 39.2 -21.8 259.0 580 77 C Y H 4 S+ 0 0 70 1,-0.2 3,-0.4 -3,-0.2 -1,-0.2 0.686 109.9 56.1 -79.0 -19.4 38.8 -18.2 257.9 581 78 C K H < S+ 0 0 62 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.626 84.3 84.8 -85.1 -14.7 42.4 -17.5 259.1 582 79 C L S < S+ 0 0 31 -4,-0.8 2,-1.1 -3,-0.3 -1,-0.2 0.871 77.1 73.2 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