==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 05-JAN-06 2FLD . COMPND 2 MOLECULE: 5'-D(*GP*CP*AP*GP*AP*AP*GP*GP*TP*CP*GP*TP*GP*AP*G . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.ASHWORTH,C.M.DUARTE,J.J.HAVRANEK,D.SUSSMAN,R.J.MONNAT,B.L. . 324 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16731.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 72.5 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 . 44 13.6 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 . 2 0.6 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 . 11 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 40.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 0 0 2 4 0 0 2 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 2 0 0 0 2 0 2 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 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 6 A T 0 0 167 0, 0.0 2,-0.8 0, 0.0 59,-0.0 0.000 360.0 360.0 360.0 -11.2 60.3 106.8 69.5 2 7 A L - 0 0 33 4,-0.1 58,-0.0 2,-0.0 57,-0.0 -0.616 360.0-148.6 -75.0 109.8 56.6 107.2 70.4 3 8 A Q >> - 0 0 112 -2,-0.8 4,-2.3 1,-0.1 3,-1.1 -0.437 23.0-108.2 -77.5 154.1 55.8 104.6 73.0 4 9 A P H 3> S+ 0 0 69 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.891 117.6 45.4 -46.2 -56.1 52.3 103.1 73.2 5 10 A T H 3> S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.675 111.5 55.2 -68.3 -16.0 51.1 104.9 76.4 6 11 A E H <> S+ 0 0 59 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.913 110.4 43.4 -79.3 -46.8 52.5 108.2 75.1 7 12 A A H X S+ 0 0 4 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.906 115.9 51.0 -62.3 -41.1 50.5 107.9 71.9 8 13 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.3 -1,-0.2 0.890 109.3 48.5 -64.2 -43.5 47.5 106.8 74.0 9 14 A Y H X S+ 0 0 2 -4,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.935 112.9 49.0 -62.1 -44.6 47.8 109.7 76.4 10 15 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.871 109.2 51.0 -63.3 -39.8 48.1 112.2 73.5 11 16 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 86,-0.3 0.911 111.7 49.6 -63.9 -41.3 45.1 110.7 71.7 12 17 A G H X S+ 0 0 0 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.918 114.2 43.1 -62.8 -44.8 43.2 111.1 75.0 13 18 A F H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 5,-0.5 0.831 114.3 51.8 -68.7 -35.7 44.3 114.7 75.4 14 19 A L H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.868 107.2 51.8 -68.0 -39.9 43.6 115.4 71.8 15 20 A D H < S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.701 120.7 38.8 -68.4 -19.3 40.1 113.9 72.1 16 21 A G H < S+ 0 0 11 -4,-0.6 -2,-0.2 -5,-0.2 -3,-0.2 0.897 136.0 5.5 -93.9 -76.1 39.8 116.3 75.0 17 22 A D H < S+ 0 0 41 -4,-2.3 27,-1.7 -5,-0.1 -3,-0.2 0.251 114.8 84.6 -95.8 11.9 41.4 119.7 74.4 18 23 A G E < -A 43 0A 9 -4,-1.0 2,-0.3 -5,-0.5 25,-0.2 -0.410 58.0-143.9-109.5-174.3 42.3 119.2 70.8 19 24 A S E -A 42 0A 31 23,-2.4 23,-2.5 -2,-0.1 2,-0.5 -0.996 8.2-163.9-153.3 143.2 41.0 119.4 67.3 20 25 A I E +A 41 0A 0 -2,-0.3 2,-0.3 21,-0.2 21,-0.2 -0.988 36.1 152.4-127.3 115.4 41.3 117.5 64.0 21 26 A Y E -A 40 0A 54 19,-2.2 19,-2.0 -2,-0.5 2,-0.3 -0.968 32.5-155.6-148.0 161.7 40.0 119.6 61.1 22 27 A A E +A 39 0A 1 -2,-0.3 2,-0.3 108,-0.3 17,-0.2 -0.975 18.6 177.0-135.9 146.7 40.2 120.3 57.4 23 28 A L E -A 38 0A 58 15,-2.3 15,-2.8 -2,-0.3 2,-0.6 -0.975 29.9-117.2-150.1 162.8 39.4 123.5 55.5 24 29 A L E -A 37 0A 25 -2,-0.3 13,-0.2 13,-0.2 -2,-0.0 -0.913 26.7-159.5-106.2 119.7 39.4 125.1 52.1 25 30 A I E -A 36 0A 50 11,-2.9 11,-2.2 -2,-0.6 2,-0.3 -0.850 18.4-125.9-101.4 128.1 41.6 128.2 51.7 26 31 A P E -A 35 0A 89 0, 0.0 9,-0.3 0, 0.0 8,-0.0 -0.560 24.7-169.7 -73.6 132.4 40.9 130.6 48.9 27 32 A R > + 0 0 72 7,-3.4 3,-1.2 -2,-0.3 -2,-0.0 -0.868 14.2 178.5-126.8 97.5 44.1 131.2 46.8 28 33 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.883 84.8 59.0 -61.8 -40.0 43.7 134.1 44.2 29 34 A D T 3 S+ 0 0 113 5,-0.1 5,-0.0 0, 0.0 2,-0.0 0.554 91.2 91.6 -67.2 -11.5 47.3 133.5 43.1 30 35 A Y < - 0 0 68 -3,-1.2 4,-0.2 1,-0.1 6,-0.0 -0.239 68.8-137.8 -78.7 174.0 46.5 129.9 42.1 31 36 A K S S- 0 0 149 2,-0.3 3,-0.2 4,-0.1 -1,-0.1 0.532 72.3 -2.6-101.5-115.3 45.4 128.9 38.6 32 37 A D S S+ 0 0 83 1,-0.2 2,-0.6 2,-0.1 128,-0.1 0.814 137.4 38.5 -51.6 -37.8 42.6 126.4 37.6 33 38 A I S S- 0 0 3 84,-0.1 2,-1.3 2,-0.1 -2,-0.3 -0.867 72.1-168.4-118.9 97.0 41.8 125.5 41.1 34 39 A K + 0 0 89 -2,-0.6 -7,-3.4 -3,-0.2 2,-0.3 -0.093 59.4 87.9 -77.5 40.0 42.0 128.7 43.3 35 40 A Y E -A 26 0A 43 -2,-1.3 2,-0.4 -9,-0.3 -4,-0.1 -0.988 57.1-157.8-140.6 148.3 41.8 126.7 46.5 36 41 A Q E -A 25 0A 55 -11,-2.2 -11,-2.9 -2,-0.3 2,-0.4 -0.993 19.1-135.5-125.5 129.5 44.2 125.0 48.8 37 42 A V E -A 24 0A 15 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.2 -0.727 20.3-163.4 -85.8 130.5 43.1 122.2 51.2 38 43 A S E -A 23 0A 19 -15,-2.8 -15,-2.3 -2,-0.4 2,-0.4 -0.942 5.9-172.8-114.4 137.2 44.6 122.6 54.7 39 44 A L E +A 22 0A 12 -2,-0.4 42,-2.1 -17,-0.2 2,-0.3 -0.954 16.5 150.9-127.1 147.4 44.6 119.7 57.1 40 45 A A E -AB 21 80A 0 -19,-2.0 -19,-2.2 -2,-0.4 2,-0.3 -0.999 35.6-147.1-169.6 163.6 45.6 119.8 60.7 41 46 A I E -AB 20 79A 0 38,-1.7 38,-2.9 -2,-0.3 2,-0.3 -0.969 28.1-176.4-132.9 148.4 45.4 118.7 64.3 42 47 A S E -AB 19 78A 7 -23,-2.5 -23,-2.4 -2,-0.3 2,-0.4 -0.985 22.0-146.4-147.4 159.1 45.8 121.1 67.2 43 48 A F E -AB 18 77A 0 34,-2.0 34,-1.9 -2,-0.3 2,-0.4 -0.982 18.7-163.6-123.3 136.2 46.0 121.2 71.0 44 49 A I E + B 0 76A 49 -27,-1.7 2,-0.3 -2,-0.4 32,-0.2 -0.962 17.7 153.0-124.1 139.6 44.7 124.2 72.9 45 50 A Q E - B 0 75A 27 30,-2.6 30,-3.5 -2,-0.4 5,-0.1 -0.983 51.3 -85.0-162.5 150.7 45.4 125.2 76.5 46 51 A R E > - B 0 74A 78 -2,-0.3 3,-2.8 28,-0.2 28,-0.2 -0.360 52.7-112.1 -57.4 136.0 45.5 128.3 78.8 47 52 A K G > S+ 0 0 98 26,-2.2 3,-1.8 1,-0.3 -1,-0.1 0.670 112.3 66.9 -47.4 -29.1 49.0 129.8 78.4 48 53 A D G 3 S+ 0 0 80 1,-0.3 -1,-0.3 25,-0.2 -2,-0.1 0.704 100.0 55.1 -68.2 -14.9 50.3 129.0 81.9 49 54 A K G X> S+ 0 0 36 -3,-2.8 3,-1.5 1,-0.2 4,-0.9 0.320 72.0 117.8 -96.9 7.3 50.1 125.3 80.7 50 55 A F H X> + 0 0 33 -3,-1.8 4,-2.4 1,-0.3 3,-0.6 0.804 64.3 64.1 -43.2 -43.8 52.3 125.9 77.7 51 56 A P H 3> S+ 0 0 62 0, 0.0 4,-2.9 0, 0.0 -1,-0.3 0.883 97.4 56.7 -52.7 -40.3 55.0 123.5 78.9 52 57 A Y H <> S+ 0 0 70 -3,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.900 108.3 46.5 -59.1 -40.3 52.6 120.5 78.6 53 58 A L H S+ 0 0 55 -4,-2.2 5,-2.8 1,-0.2 6,-0.5 0.935 107.9 44.8 -59.5 -48.1 55.6 118.7 70.8 58 63 A D H ><5S+ 0 0 77 -4,-2.1 3,-1.7 1,-0.2 -2,-0.2 0.889 109.9 53.9 -65.4 -40.9 58.8 116.8 71.7 59 64 A Q H 3<5S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.5 54.5 -64.2 -26.1 57.1 113.4 71.9 60 65 A L T ><5S- 0 0 7 -4,-1.5 3,-0.7 -3,-0.3 -1,-0.3 0.051 127.2 -99.2 -95.8 25.0 55.8 114.1 68.3 61 66 A G T < 5 - 0 0 45 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.688 64.0 -73.3 68.5 21.5 59.3 114.7 67.0 62 67 A K T 3 S- 0 0 23 -42,-2.1 4,-2.5 -2,-0.4 5,-0.2 0.118 78.2 -91.0 103.1 149.2 50.1 119.4 56.4 82 87 A S H > S+ 0 0 47 1,-0.2 4,-3.4 2,-0.2 5,-0.3 0.884 115.9 65.7 -61.8 -39.1 50.3 115.9 55.0 83 88 A T H 4 S+ 0 0 104 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.934 114.8 27.7 -49.6 -54.8 54.0 115.7 55.7 84 89 A H H >> S+ 0 0 56 -4,-0.3 4,-2.3 1,-0.2 3,-0.8 0.929 123.6 50.3 -73.8 -46.9 53.6 115.9 59.5 85 90 A L H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.805 100.7 61.6 -63.9 -33.5 50.1 114.4 59.7 86 91 A S H 3< S+ 0 0 54 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.781 114.0 37.9 -66.0 -23.6 50.9 111.3 57.5 87 92 A I H <> S+ 0 0 77 -3,-0.8 4,-0.6 -4,-0.5 -2,-0.2 0.875 122.4 40.1 -90.6 -43.7 53.5 110.3 60.2 88 93 A I H >X S+ 0 0 3 -4,-2.3 4,-1.4 1,-0.2 3,-1.0 0.939 105.8 58.7 -74.1 -51.8 51.6 111.3 63.3 89 94 A L H >X S+ 0 0 0 -4,-1.9 4,-3.0 1,-0.3 3,-0.5 0.871 99.4 58.5 -50.4 -43.4 48.0 110.3 62.7 90 95 A P H 34 S+ 0 0 63 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.897 107.2 49.8 -55.0 -37.8 48.9 106.6 62.2 91 96 A D H << S+ 0 0 72 -3,-1.0 -2,-0.2 -4,-0.6 4,-0.1 0.810 117.6 38.4 -69.7 -30.7 50.3 106.6 65.7 92 97 A L H XX S+ 0 0 0 -4,-1.4 3,-1.9 -3,-0.5 4,-1.8 0.781 95.6 80.6 -92.6 -27.2 47.3 108.2 67.3 93 98 A V T 3< S+ 0 0 25 -4,-3.0 3,-0.2 1,-0.3 -2,-0.1 0.857 87.2 56.1 -46.2 -49.9 44.5 106.5 65.3 94 99 A P T 34 S+ 0 0 76 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.708 118.0 36.0 -60.7 -18.5 44.5 103.3 67.4 95 100 A Y T <4 S+ 0 0 58 -3,-1.9 -2,-0.2 -4,-0.1 2,-0.1 0.626 90.8 105.6-108.2 -18.2 43.9 105.3 70.5 96 101 A L < + 0 0 0 -4,-1.8 -84,-0.1 -3,-0.2 -85,-0.1 -0.389 34.9 163.1 -64.6 135.2 41.6 108.1 69.2 97 102 A R S > S+ 0 0 50 -86,-0.3 3,-1.1 -2,-0.1 4,-0.4 0.658 70.6 29.8-116.0 -71.2 38.0 107.6 70.3 98 103 A I T 3 S+ 0 0 16 1,-0.2 3,-0.3 2,-0.1 4,-0.2 0.890 134.0 31.3 -59.3 -42.8 36.0 110.8 70.0 99 104 A K T 3> S+ 0 0 22 -88,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.098 85.3 111.3-105.4 22.1 37.9 112.2 67.0 100 105 A K H <> S+ 0 0 71 -3,-1.1 4,-1.9 2,-0.2 5,-0.2 0.919 78.4 49.5 -61.3 -45.9 38.9 108.9 65.4 101 106 A K H > S+ 0 0 104 -4,-0.4 4,-2.0 -3,-0.3 3,-0.3 0.966 107.9 52.9 -60.6 -50.6 36.7 109.3 62.4 102 107 A Q H > S+ 0 0 13 1,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.887 109.1 52.0 -49.5 -43.2 38.0 112.9 61.7 103 108 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.882 107.8 49.7 -61.7 -43.0 41.6 111.5 61.8 104 109 A N H X S+ 0 0 67 -4,-1.9 4,-1.7 -3,-0.3 -1,-0.2 0.797 108.9 53.7 -68.6 -28.3 40.8 108.7 59.2 105 110 A R H X S+ 0 0 65 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.892 106.2 51.3 -72.5 -41.3 39.2 111.3 56.9 106 111 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.965 110.2 51.0 -57.6 -50.0 42.3 113.5 57.0 107 112 A L H X S+ 0 0 48 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.882 108.9 50.4 -54.0 -41.7 44.3 110.3 56.1 108 113 A H H X S+ 0 0 92 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.935 109.8 50.3 -65.3 -43.2 41.9 109.6 53.2 109 114 A I H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.951 108.7 52.3 -58.2 -48.3 42.4 113.2 51.9 110 115 A I H < S+ 0 0 29 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.872 108.9 51.4 -56.2 -37.6 46.1 112.8 52.2 111 116 A N H < S+ 0 0 121 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.942 116.7 38.4 -64.3 -47.8 45.8 109.6 50.1 112 117 A L H >X S+ 0 0 60 -4,-2.4 4,-1.1 1,-0.2 3,-0.9 0.740 94.7 86.5 -75.9 -26.1 43.8 111.3 47.3 113 118 A Y H >X S+ 0 0 65 -4,-2.8 4,-2.0 1,-0.2 3,-0.9 0.834 78.4 59.8 -45.6 -52.9 45.6 114.7 47.3 114 119 A P H 34 S+ 0 0 85 0, 0.0 -1,-0.2 0, 0.0 4,-0.2 0.857 115.2 35.6 -47.5 -42.9 48.4 113.9 44.8 115 120 A Q H <4 S+ 0 0 144 -3,-0.9 3,-0.2 -4,-0.3 -2,-0.2 0.580 115.4 55.7 -89.7 -11.2 46.0 113.0 42.0 116 121 A A H X< S+ 0 0 2 -4,-1.1 3,-1.7 -3,-0.9 7,-0.4 0.707 78.6 96.2 -91.4 -22.5 43.4 115.6 42.9 117 122 A Q T 3< S+ 0 0 74 -4,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.744 104.4 9.8 -36.2 -46.7 45.7 118.6 42.8 118 123 A K T 3 S+ 0 0 134 -3,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.023 105.1 96.0-131.0 29.3 44.9 119.7 39.2 119 124 A N <> - 0 0 56 -3,-1.7 4,-3.7 1,-0.2 5,-0.3 -0.914 57.4-157.5-123.5 101.6 41.9 117.6 38.4 120 125 A P H > S+ 0 0 25 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.864 93.2 46.9 -42.7 -51.9 38.6 119.5 39.0 121 126 A S H > S+ 0 0 61 2,-0.2 4,-1.5 39,-0.2 5,-0.1 0.933 117.4 42.9 -61.0 -46.8 36.4 116.3 39.3 122 127 A K H > S+ 0 0 100 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.934 109.4 56.8 -64.1 -48.1 38.9 114.7 41.6 123 128 A F H X S+ 0 0 1 -4,-3.7 4,-1.6 -7,-0.4 -1,-0.2 0.866 105.6 54.0 -52.1 -37.2 39.5 117.8 43.6 124 129 A L H X S+ 0 0 4 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.919 104.0 51.6 -65.1 -46.1 35.7 117.9 44.3 125 130 A D H X S+ 0 0 98 -4,-1.5 4,-0.8 1,-0.3 -1,-0.2 0.866 111.9 50.3 -57.6 -34.0 35.6 114.4 45.7 126 131 A L H X S+ 0 0 1 -4,-2.0 4,-1.0 1,-0.2 -1,-0.3 0.821 106.9 52.8 -73.4 -32.3 38.4 115.5 47.9 127 132 A V H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 21,-0.2 0.808 100.2 62.3 -74.0 -28.2 36.4 118.6 49.0 128 133 A K H X S+ 0 0 111 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.844 101.1 53.0 -65.1 -31.7 33.5 116.5 49.9 129 134 A I H X S+ 0 0 21 -4,-0.8 4,-2.6 2,-0.2 -1,-0.2 0.865 104.0 56.2 -70.3 -35.0 35.7 114.8 52.5 130 135 A V H X S+ 0 0 0 -4,-1.0 4,-2.4 1,-0.2 -108,-0.3 0.921 106.9 49.7 -61.8 -42.4 36.5 118.3 53.9 131 136 A D H X S+ 0 0 11 -4,-1.9 4,-3.3 2,-0.2 14,-0.4 0.936 110.0 50.3 -60.6 -47.4 32.8 118.9 54.3 132 137 A D H X S+ 0 0 60 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.917 110.9 48.8 -57.7 -45.9 32.4 115.6 56.2 133 138 A V H X S+ 0 0 0 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.921 114.4 45.7 -60.9 -44.0 35.3 116.4 58.5 134 139 A Q H >< S+ 0 0 45 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.889 112.2 51.1 -67.0 -39.4 33.8 119.8 59.2 135 140 A N H >< S+ 0 0 34 -4,-3.3 3,-1.8 1,-0.2 -2,-0.2 0.861 103.0 59.1 -67.6 -33.8 30.3 118.4 59.7 136 141 A L H 3< S+ 0 0 54 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.735 101.9 56.7 -64.8 -21.2 31.7 115.8 62.2 137 142 A N T << S+ 0 0 57 -3,-0.7 -1,-0.3 -4,-0.7 2,-0.3 0.174 99.0 82.1 -94.7 16.6 32.9 118.7 64.3 138 143 A K S < S- 0 0 68 -3,-1.8 2,-0.2 4,-0.1 6,-0.0 -0.797 83.4-108.5-119.4 162.4 29.4 120.2 64.5 139 144 A R > - 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0 0 35 58,-0.1 58,-0.0 4,-0.0 57,-0.0 -0.864 360.0-141.7-101.9 119.7 42.7 98.2 83.2 165 208 B Q >> - 0 0 112 -2,-0.6 4,-2.5 1,-0.1 3,-0.6 -0.444 20.9-114.6 -77.5 151.1 45.3 98.0 80.4 166 209 B P H 3> S+ 0 0 68 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.911 115.4 44.7 -49.5 -56.0 48.2 100.6 80.3 167 210 B T H 3> S+ 0 0 38 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.739 112.5 54.3 -66.2 -20.1 47.2 102.3 77.0 168 211 B E H <> S+ 0 0 55 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.901 111.4 44.3 -76.0 -41.9 43.6 102.4 78.3 169 212 B A H X S+ 0 0 5 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.881 113.5 51.1 -67.4 -39.5 44.8 104.1 81.5 170 213 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.914 110.0 49.1 -64.8 -44.3 47.0 106.5 79.5 171 214 B Y H X S+ 0 0 5 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.937 112.1 49.0 -59.6 -47.1 44.2 107.4 77.2 172 215 B I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.884 110.0 51.2 -60.6 -40.0 41.9 108.0 80.2 173 216 B A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 86,-0.3 0.891 112.6 46.3 -65.2 -41.5 44.6 110.2 81.9 174 217 B G H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.912 114.0 47.1 -68.4 -41.0 45.0 112.2 78.8 175 218 B F H X S+ 0 0 1 -4,-2.8 4,-1.8 1,-0.2 5,-0.4 0.879 112.3 51.1 -67.2 -35.6 41.2 112.6 78.3 176 219 B L H X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.868 106.6 53.7 -68.1 -37.6 40.9 113.5 82.0 177 220 B D H < S+ 0 0 1 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.801 118.7 38.2 -66.4 -28.1 43.7 116.2 81.6 178 221 B G H < S+ 0 0 10 -4,-1.3 -2,-0.2 -5,-0.1 -3,-0.1 0.940 137.7 5.9 -84.6 -78.9 41.6 117.6 78.8 179 222 B D H < S+ 0 0 38 -4,-1.8 27,-2.0 -5,-0.1 -3,-0.2 0.208 114.7 90.9 -93.4 14.8 37.9 117.5 79.5 180 223 B G E < -D 205 0B 8 -4,-1.1 2,-0.3 -5,-0.4 25,-0.2 -0.487 54.7-153.6-108.9 179.2 38.3 116.2 83.1 181 224 B S E -D 204 0B 30 23,-2.3 23,-2.5 -2,-0.2 2,-0.5 -0.972 6.3-164.1-155.3 134.1 38.6 117.6 86.6 182 225 B I E +D 203 0B 0 -2,-0.3 2,-0.3 21,-0.3 21,-0.2 -0.989 34.6 150.2-119.7 120.8 40.1 116.4 89.8 183 226 B Y E -D 202 0B 54 19,-2.3 19,-2.4 -2,-0.5 2,-0.3 -0.942 33.8-152.4-149.3 169.2 38.9 118.3 92.8 184 227 B A E +D 201 0B 1 -2,-0.3 2,-0.3 108,-0.3 17,-0.2 -0.981 21.3 168.3-143.0 146.6 38.1 118.3 96.5 185 228 B L E -D 200 0B 58 15,-2.2 15,-2.5 -2,-0.3 2,-0.5 -0.945 33.7-106.1-154.1 171.1 35.7 120.4 98.5 186 229 B L E -D 199 0B 23 -2,-0.3 13,-0.2 13,-0.2 11,-0.0 -0.919 25.0-161.0-108.2 127.9 33.9 120.9 101.8 187 230 B I E -D 198 0B 41 11,-2.6 11,-1.6 -2,-0.5 2,-0.2 -0.932 19.5-130.7-109.4 117.9 30.3 120.0 102.1 188 231 B P E -D 197 0B 87 0, 0.0 9,-0.3 0, 0.0 8,-0.0 -0.495 22.7-163.7 -66.3 135.4 28.4 121.6 105.1 189 232 B R > - 0 0 83 7,-2.9 3,-1.9 -2,-0.2 -2,-0.0 -0.883 12.4-169.2-125.2 100.1 26.5 118.8 106.9 190 233 B P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.792 87.7 53.8 -55.9 -31.0 23.8 120.0 109.3 191 234 B D T 3 S+ 0 0 136 5,-0.1 2,-0.1 0, 0.0 5,-0.0 0.299 84.4 110.3 -90.5 8.1 23.4 116.5 110.7 192 235 B Y < - 0 0 86 -3,-1.9 4,-0.2 1,-0.1 6,-0.0 -0.372 59.4-136.6 -81.0 165.0 27.0 115.8 111.6 193 236 B K S S- 0 0 182 2,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.768 77.2 -4.2 -85.5-108.3 28.4 115.6 115.2 194 237 B D S S+ 0 0 51 1,-0.2 2,-0.7 2,-0.1 86,-0.1 0.965 137.1 33.2 -54.4 -61.7 31.6 117.3 116.3 195 238 B I S S- 0 0 12 84,-0.2 2,-0.8 2,-0.1 -2,-0.3 -0.881 71.3-157.4-104.6 113.1 32.7 118.6 112.9 196 239 B K + 0 0 81 -2,-0.7 -7,-2.9 -4,-0.2 2,-0.3 -0.087 63.4 85.1 -82.3 39.3 29.8 119.6 110.6 197 240 B Y E -D 188 0B 48 -2,-0.8 2,-0.4 -9,-0.3 -2,-0.1 -0.975 57.5-153.5-140.1 152.9 31.7 119.2 107.3 198 241 B Q E -D 187 0B 39 -11,-1.6 -11,-2.6 -2,-0.3 2,-0.9 -0.987 18.0-133.2-128.0 134.6 32.6 116.5 104.9 199 242 B V E -D 186 0B 5 -2,-0.4 2,-0.5 -13,-0.2 -13,-0.2 -0.789 24.8-162.7 -88.1 111.4 35.5 116.3 102.6 200 243 B S E -D 185 0B 15 -15,-2.5 -15,-2.2 -2,-0.9 2,-0.4 -0.846 6.4-168.0 -96.3 129.1 34.2 115.3 99.2 201 244 B L E +D 184 0B 8 -2,-0.5 42,-2.1 -17,-0.2 2,-0.3 -0.930 15.8 152.9-118.9 143.7 36.8 114.0 96.8 202 245 B A E -DE 183 242B 1 -19,-2.4 -19,-2.3 -2,-0.4 2,-0.4 -0.999 35.8-154.8-165.5 163.8 36.3 113.5 93.1 203 246 B I E -DE 182 241B 0 38,-1.4 38,-2.8 -2,-0.3 2,-0.3 -0.967 29.5-178.2-136.6 144.7 37.5 113.2 89.5 204 247 B S E -DE 181 240B 7 -23,-2.5 -23,-2.3 -2,-0.4 2,-0.4 -0.988 22.3-145.6-146.8 159.2 35.1 113.8 86.7 205 248 B F E -DE 180 239B 0 34,-2.2 34,-2.4 -2,-0.3 2,-0.4 -0.969 18.5-163.6-123.7 139.9 34.8 113.8 82.9 206 249 B I E + E 0 238B 44 -27,-2.0 2,-0.3 -2,-0.4 32,-0.2 -0.954 16.1 156.6-126.5 143.9 32.6 116.3 81.1 207 250 B Q E - E 0 237B 12 30,-2.1 30,-2.8 -2,-0.4 2,-0.1 -0.981 47.4 -81.8-159.8 157.2 31.4 116.2 77.5 208 251 B R E > - E 0 236B 77 -2,-0.3 3,-3.0 28,-0.2 28,-0.2 -0.399 50.3-106.5 -65.7 140.5 28.6 117.6 75.4 209 252 B K G > S+ 0 0 83 26,-2.3 3,-3.0 1,-0.3 27,-0.1 0.790 115.7 58.3 -27.2 -66.2 25.3 115.6 75.6 210 253 B D G 3 S+ 0 0 92 1,-0.3 -1,-0.3 25,-0.2 -2,-0.1 0.590 104.4 55.3 -51.1 -12.6 25.4 113.9 72.2 211 254 B K G X> + 0 0 39 -3,-3.0 3,-2.1 1,-0.2 4,-0.7 0.289 69.0 118.0-106.8 11.3 28.8 112.4 73.2 212 255 B F H X> + 0 0 25 -3,-3.0 4,-1.9 1,-0.3 3,-1.1 0.813 64.8 66.4 -46.2 -41.6 27.5 110.7 76.4 213 256 B P H 3> S+ 0 0 62 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.781 93.2 60.3 -57.2 -25.0 28.3 107.2 75.1 214 257 B Y H <> S+ 0 0 69 -3,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.854 105.4 47.7 -70.1 -32.8 32.1 108.0 75.2 215 258 B L H <>S+ 0 0 54 -4,-2.8 5,-2.8 1,-0.2 3,-0.7 0.943 108.7 45.5 -55.2 -50.3 32.8 104.2 83.0 220 263 B D H ><5S+ 0 0 86 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.871 111.2 53.8 -62.6 -36.7 32.9 100.5 81.9 221 264 B Q H 3<5S+ 0 0 49 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.711 106.0 53.0 -70.7 -21.5 36.7 100.7 81.7 222 265 B L T X<5S- 0 0 9 -4,-1.5 3,-1.1 -3,-0.7 -1,-0.3 -0.068 128.0 -96.0-103.8 30.9 36.8 102.0 85.3 223 266 B G T < 5 - 0 0 53 -3,-1.2 -3,-0.2 1,-0.2 -2,-0.1 0.790 65.9 -73.3 62.8 31.0 34.7 99.1 86.6 224 267 B K T 3 S- 0 0 25 -42,-2.1 4,-2.4 -2,-0.4 5,-0.2 0.114 77.0 -88.0 99.7 150.9 34.8 109.0 97.4 244 287 B S H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.872 116.8 60.6 -56.9 -47.6 37.9 107.5 98.9 245 288 B T H > S+ 0 0 105 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.928 114.1 33.7 -49.4 -57.2 36.8 103.9 98.1 246 289 B H H >> S+ 0 0 56 -4,-0.3 4,-2.5 1,-0.2 3,-0.8 0.914 120.6 48.7 -68.4 -45.9 36.6 104.4 94.4 247 290 B L H 3X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.770 101.5 61.7 -69.8 -26.7 39.4 106.9 94.1 248 291 B S H 3< S+ 0 0 52 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.753 114.4 38.3 -70.6 -19.3 41.9 104.9 96.1 249 292 B I H << S+ 0 0 76 -3,-0.8 4,-0.5 -4,-0.5 -2,-0.2 0.871 123.2 37.7 -94.6 -45.0 41.6 102.2 93.4 250 293 B I H >X S+ 0 0 4 -4,-2.5 4,-1.3 2,-0.2 3,-1.3 0.930 108.7 57.7 -75.4 -49.3 41.3 104.4 90.3 251 294 B L H >X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.3 3,-0.8 0.912 100.2 57.4 -51.4 -48.5 43.7 107.2 90.9 252 295 B P H 34 S+ 0 0 61 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.815 107.8 51.1 -53.4 -28.1 46.8 104.9 91.4 253 296 B D H <4 S+ 0 0 77 -3,-1.3 -2,-0.2 -4,-0.5 4,-0.2 0.811 116.9 36.9 -77.6 -32.4 46.0 103.6 87.9 254 297 B L H XX S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.8 3,-1.5 0.747 96.9 78.4 -92.7 -27.6 45.9 107.0 86.3 255 298 B V T 3< S+ 0 0 23 -4,-2.9 3,-0.1 1,-0.3 -1,-0.1 0.863 85.8 62.6 -51.2 -40.7 48.6 108.8 88.2 256 299 B P T 34 S+ 0 0 79 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.839 117.4 29.5 -56.3 -30.3 51.4 107.2 86.2 257 300 B Y T <4 S+ 0 0 59 -3,-1.5 -2,-0.2 -4,-0.2 -3,-0.1 0.590 92.6 106.5-107.5 -11.3 50.0 108.9 83.0 258 301 B L < + 0 0 0 -4,-1.7 -84,-0.1 1,-0.2 -85,-0.1 -0.410 33.1 164.2 -67.8 144.6 48.4 112.1 84.3 259 302 B R S > S+ 0 0 50 -86,-0.3 3,-0.8 -2,-0.1 4,-0.4 0.604 70.0 34.2-121.1 -69.5 50.4 115.2 83.5 260 303 B I T 3 S+ 0 0 10 1,-0.2 3,-0.2 2,-0.1 4,-0.2 0.870 132.5 29.7 -59.6 -42.6 48.4 118.4 83.9 261 304 B K T 3> S+ 0 0 31 -88,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.227 85.7 112.2-107.1 15.8 46.3 117.2 86.9 262 305 B K H <> S+ 0 0 74 -3,-0.8 4,-2.4 1,-0.2 5,-0.2 0.921 79.3 48.5 -52.2 -50.8 48.9 114.8 88.3 263 306 B K H > S+ 0 0 148 -4,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.914 108.1 53.3 -59.9 -43.8 49.4 117.0 91.4 264 307 B Q H > S+ 0 0 9 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.923 110.4 50.1 -56.0 -43.1 45.7 117.3 92.1 265 308 B A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.919 110.3 47.5 -61.1 -46.9 45.6 113.5 91.9 266 309 B N H X S+ 0 0 67 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.831 110.3 53.8 -67.6 -28.7 48.4 113.0 94.4 267 310 B R H X S+ 0 0 83 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.880 107.3 49.7 -73.4 -36.5 46.9 115.6 96.8 268 311 B I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.966 110.9 51.3 -63.1 -48.3 43.5 113.7 96.8 269 312 B L H X S+ 0 0 31 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.871 108.8 51.4 -53.8 -38.1 45.5 110.5 97.5 270 313 B H H X S+ 0 0 59 -4,-1.7 4,-1.8 1,-0.2 -1,-0.2 0.935 107.6 51.3 -67.6 -42.8 47.2 112.4 100.4 271 314 B I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.878 107.0 54.8 -59.9 -37.5 43.9 113.5 101.8 272 315 B I H < S+ 0 0 22 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.874 106.3 51.8 -65.2 -36.0 42.7 109.8 101.7 273 316 B N H < S+ 0 0 125 -4,-1.6 4,-0.3 -5,-0.2 -1,-0.2 0.875 118.2 36.9 -66.4 -38.2 45.8 108.8 103.7 274 317 B L H >X S+ 0 0 68 -4,-1.8 4,-1.2 1,-0.1 3,-0.7 0.733 95.4 84.5 -86.2 -28.7 45.1 111.4 106.4 275 318 B Y H >X S+ 0 0 61 -4,-2.6 4,-1.8 1,-0.2 3,-1.3 0.882 79.8 61.2 -44.1 -57.1 41.3 111.3 106.5 276 319 B P H 34 S+ 0 0 71 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.858 114.5 34.9 -40.4 -50.0 40.8 108.3 108.9 277 320 B Q H <4 S+ 0 0 150 -3,-0.7 -2,-0.2 -4,-0.3 7,-0.2 0.601 113.4 59.2 -84.8 -12.2 42.6 110.1 111.7 278 321 B A H X< S+ 0 0 3 -3,-1.3 3,-1.5 -4,-1.2 7,-0.3 0.683 82.0 90.7 -89.1 -18.4 41.3 113.6 110.9 279 322 B Q T 3< S+ 0 0 110 -4,-1.8 -84,-0.2 1,-0.3 -2,-0.1 0.904 102.5 15.8 -40.3 -75.1 37.6 112.6 111.2 280 323 B K T 3 S+ 0 0 154 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.1 -0.011 109.9 92.5 -96.7 31.0 36.9 113.4 114.9 281 324 B N <> - 0 0 47 -3,-1.5 4,-3.1 1,-0.2 5,-0.2 -0.881 55.2-167.2-126.8 100.5 40.0 115.5 115.4 282 325 B P H > S+ 0 0 18 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.903 88.5 49.3 -50.1 -52.0 39.5 119.3 114.7 283 326 B S H > S+ 0 0 70 39,-0.2 4,-1.3 1,-0.2 5,-0.1 0.896 117.3 40.3 -58.2 -43.7 43.2 120.2 114.7 284 327 B K H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 109.1 60.6 -74.2 -35.0 44.0 117.4 112.2 285 328 B F H X S+ 0 0 5 -4,-3.1 4,-1.9 -7,-0.3 -1,-0.2 0.830 104.2 51.7 -60.5 -30.9 40.9 118.0 110.2 286 329 B L H X S+ 0 0 5 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.912 105.8 52.1 -70.9 -44.8 42.2 121.5 109.6 287 330 B D H X S+ 0 0 92 -4,-1.3 4,-1.1 1,-0.2 -2,-0.2 0.920 111.4 49.5 -55.8 -42.5 45.5 120.3 108.3 288 331 B L H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 3,-0.5 0.897 108.1 52.2 -63.3 -41.2 43.5 118.1 106.0 289 332 B V H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 21,-0.3 0.765 99.1 64.7 -67.8 -25.4 41.4 121.2 104.9 290 333 B K H X S+ 0 0 92 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.908 103.6 47.7 -62.2 -39.5 44.7 123.0 104.1 291 334 B I H X S+ 0 0 13 -4,-1.1 4,-2.6 -3,-0.5 5,-0.2 0.844 104.6 58.9 -70.2 -33.7 45.2 120.4 101.4 292 335 B V H X S+ 0 0 0 -4,-1.2 4,-2.0 1,-0.2 -108,-0.3 0.888 107.2 48.1 -62.2 -38.0 41.7 120.8 100.2 293 336 B D H X S+ 0 0 11 -4,-1.9 4,-2.8 2,-0.2 14,-0.4 0.909 109.2 53.9 -68.2 -40.3 42.5 124.5 99.6 294 337 B D H X S+ 0 0 75 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.921 109.0 46.5 -59.2 -46.6 45.8 123.5 97.8 295 338 B V H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.933 114.6 48.9 -61.9 -43.1 44.0 121.2 95.4 296 339 B Q H >< S+ 0 0 40 -4,-2.0 3,-0.5 -5,-0.2 -2,-0.2 0.877 111.1 49.3 -64.4 -36.4 41.4 124.0 94.8 297 340 B N H >< S+ 0 0 36 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.852 103.2 60.4 -71.7 -32.2 44.2 126.5 94.3 298 341 B L H 3< S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.734 101.5 56.5 -64.8 -21.4 45.9 124.1 91.8 299 342 B N T << S+ 0 0 56 -4,-0.8 -1,-0.3 -3,-0.5 2,-0.2 0.143 99.9 79.1 -95.8 19.4 42.7 124.4 89.8 300 343 B K S < S- 0 0 55 -3,-1.8 2,-0.2 4,-0.1 6,-0.0 -0.727 84.6-103.4-120.2 170.8 42.9 128.2 89.6 301 344 B R > - 0 0 103 -2,-0.2 3,-1.8 1,-0.1 -2,-0.1 -0.646 39.8-112.2 -87.5 153.1 44.8 130.8 87.5 302 345 B A T 3 S+ 0 0 99 1,-0.3 4,-0.1 -2,-0.2 -1,-0.1 0.741 116.0 55.8 -59.7 -23.1 47.7 132.5 89.4 303 346 B D T 3 S+ 0 0 121 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.529 89.5 100.2 -87.9 -6.2 45.9 135.8 89.5 304 347 B E S < S- 0 0 68 -3,-1.8 2,-0.5 -7,-0.1 -4,-0.1 -0.414 85.3 -93.4 -83.3 157.4 42.7 134.4 91.2 305 348 B L - 0 0 150 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.557 47.0-119.8 -71.5 120.0 41.7 134.7 94.8 306 349 B K - 0 0 111 -2,-0.5 -1,-0.1 1,-0.1 -12,-0.1 -0.107 34.6 -89.7 -56.8 153.2 42.9 131.6 96.7 307 350 B S - 0 0 18 -14,-0.4 4,-0.2 1,-0.1 3,-0.1 -0.304 29.8-157.3 -66.3 150.9 40.5 129.3 98.5 308 351 B T > + 0 0 53 1,-0.1 4,-1.8 2,-0.1 5,-0.2 -0.153 52.8 118.4-124.4 37.6 39.6 130.1 102.1 309 352 B N H > S+ 0 0 15 2,-0.2 4,-1.8 -20,-0.2 5,-0.2 0.891 80.8 47.1 -70.3 -38.4 38.4 126.8 103.5 310 353 B Y H > S+ 0 0 62 -21,-0.3 4,-2.6 2,-0.2 5,-0.2 0.964 112.9 46.3 -68.1 -53.5 41.1 126.6 106.1 311 354 B D H > S+ 0 0 101 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.923 116.9 43.4 -56.0 -48.8 40.9 130.2 107.3 312 355 B R H X S+ 0 0 137 -4,-1.8 4,-1.6 1,-0.2 -1,-0.2 0.880 114.7 49.7 -66.9 -37.8 37.1 130.1 107.6 313 356 B L H X S+ 0 0 3 -4,-1.8 4,-3.0 -5,-0.2 -1,-0.2 0.884 109.6 51.2 -69.0 -38.4 37.0 126.7 109.2 314 357 B L H X S+ 0 0 34 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.958 109.8 49.7 -62.8 -48.4 39.6 127.6 111.8 315 358 B E H X S+ 0 0 88 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.844 112.9 48.0 -59.4 -33.6 37.7 130.7 112.8 316 359 B E H X S+ 0 0 52 -4,-1.6 4,-1.3 2,-0.2 6,-0.2 0.933 111.1 49.2 -72.6 -45.2 34.6 128.5 113.1 317 360 B F H <>S+ 0 0 0 -4,-3.0 5,-2.0 1,-0.2 6,-1.1 0.897 112.0 50.5 -59.3 -40.2 36.4 125.9 115.2 318 361 B L H ><5S+ 0 0 57 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.936 112.6 44.0 -63.3 -48.5 37.8 128.7 117.4 319 362 B K H 3<5S+ 0 0 160 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.640 112.7 54.6 -71.7 -14.4 34.4 130.3 118.0 320 363 B A T 3<5S- 0 0 51 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.420 111.6-120.1 -97.5 0.1 32.9 126.8 118.6 321 364 B G T < 5S+ 0 0 49 -3,-1.2 -3,-0.2 -4,-0.3 -4,-0.1 0.588 80.9 121.5 72.3 10.1 35.4 126.0 121.3 322 365 B K S