==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-OCT-06 2IPB . COMPND 2 MOLECULE: CLASS A NONSPECIFIC ACID PHOSPHATASE PHON; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR R.D.MAKDE,V.KUMAR . 876 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36110.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 617 70.4 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 . 8 0.9 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 . 10 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 458 52.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 9 2 1 4 0 3 1 0 4 0 5 7 4 0 8 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 23 A M 0 0 116 0, 0.0 83,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 129.0 63.7 -0.2 36.4 2 24 A Q - 0 0 165 1,-0.0 85,-0.0 2,-0.0 81,-0.0 -0.915 360.0-101.1-118.8 131.8 61.5 -2.4 38.7 3 25 A P - 0 0 55 0, 0.0 3,-0.1 0, 0.0 85,-0.0 -0.099 24.2-130.1 -50.1 137.2 58.4 -1.3 40.6 4 26 A F S S- 0 0 20 1,-0.1 2,-0.3 83,-0.1 195,-0.2 0.790 84.2 -13.9 -58.8 -31.1 58.9 -0.6 44.3 5 27 A H S S- 0 0 9 194,-0.1 -1,-0.1 192,-0.0 5,-0.0 -0.969 76.5 -87.9-163.0 176.8 56.0 -2.9 45.0 6 28 A S > - 0 0 36 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.476 42.1-104.0 -92.7 164.3 53.0 -4.8 43.6 7 29 A P G > S+ 0 0 63 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.853 121.3 57.1 -52.9 -35.5 49.4 -3.5 43.2 8 30 A E G 3 S+ 0 0 152 1,-0.3 4,-0.1 4,-0.0 87,-0.0 0.569 96.7 62.8 -76.0 -11.3 48.4 -5.5 46.2 9 31 A E G < S+ 0 0 91 -3,-2.0 -1,-0.3 2,-0.1 2,-0.2 0.318 81.1 97.7-101.3 5.5 50.9 -3.8 48.5 10 32 A S S < S- 0 0 12 -3,-1.2 2,-0.3 -4,-0.3 86,-0.1 -0.569 92.1 -97.2 -71.4 155.4 49.3 -0.4 48.1 11 33 A V - 0 0 8 -2,-0.2 2,-0.9 175,-0.1 -2,-0.1 -0.623 45.2-103.9 -75.4 135.5 47.0 0.5 50.9 12 34 A N >> - 0 0 57 -2,-0.3 3,-1.5 1,-0.2 4,-1.1 -0.514 34.2-169.4 -71.0 102.8 43.4 -0.2 49.9 13 35 A S H 3> S+ 0 0 1 -2,-0.9 4,-1.9 83,-0.3 -1,-0.2 0.779 82.2 65.1 -69.1 -26.0 41.9 3.2 49.1 14 36 A Q H 34 S+ 0 0 59 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.811 102.7 49.5 -63.1 -27.8 38.4 1.8 48.9 15 37 A F H <4 S+ 0 0 59 -3,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.880 117.5 35.3 -79.9 -40.7 38.6 1.0 52.6 16 38 A Y H < S+ 0 0 4 -4,-1.1 -2,-0.2 2,-0.1 -1,-0.1 0.673 100.8 81.1 -94.5 -17.8 39.8 4.4 53.9 17 39 A L S < S- 0 0 11 -4,-1.9 363,-0.1 366,-0.1 362,-0.0 -0.625 75.2-125.1 -90.3 146.3 38.1 6.9 51.6 18 40 A P - 0 0 29 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.501 42.1 -90.2 -76.9 162.7 34.5 8.0 52.1 19 41 A P - 0 0 86 0, 0.0 3,-0.1 0, 0.0 81,-0.0 -0.243 50.0 -94.7 -65.1 159.7 32.3 7.6 49.1 20 42 A P - 0 0 29 0, 0.0 2,-0.0 0, 0.0 8,-0.0 -0.439 50.2 -86.8 -73.7 152.3 32.0 10.5 46.5 21 43 A P - 0 0 23 0, 0.0 2,-0.2 0, 0.0 157,-0.0 -0.314 36.3-133.8 -63.4 139.9 29.2 13.1 46.8 22 44 A G > - 0 0 30 -3,-0.1 3,-2.5 1,-0.1 6,-0.4 -0.492 36.4 -95.1 -87.3 166.2 25.8 12.6 45.2 23 45 A N T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 0.629 124.9 57.6 -60.3 -10.4 24.1 15.3 43.2 24 46 A D T 3 S+ 0 0 126 4,-0.1 -1,-0.3 5,-0.0 0, 0.0 0.523 86.0 101.3 -96.8 -10.4 22.2 16.3 46.4 25 47 A D S <> S- 0 0 57 -3,-2.5 4,-1.6 1,-0.1 3,-0.2 -0.481 73.6-131.9 -81.0 149.8 25.3 16.9 48.5 26 48 A P H > S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.806 110.3 60.0 -66.4 -27.8 26.7 20.3 49.4 27 49 A A H > S+ 0 0 18 1,-0.2 4,-2.8 2,-0.2 151,-0.2 0.892 104.1 49.6 -69.9 -33.7 30.1 19.0 48.5 28 50 A F H > S+ 0 0 10 -6,-0.4 4,-2.6 2,-0.2 5,-0.2 0.876 106.4 55.2 -69.2 -34.4 28.8 18.3 45.0 29 51 A R H X S+ 0 0 90 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.936 110.7 45.9 -65.1 -42.3 27.4 21.8 44.7 30 52 A Y H X S+ 0 0 38 -4,-2.2 4,-3.1 2,-0.2 5,-0.3 0.963 109.1 56.8 -56.7 -50.6 30.9 23.0 45.5 31 53 A D H X S+ 0 0 2 -4,-2.8 4,-1.7 1,-0.2 146,-0.3 0.890 112.1 40.9 -47.1 -50.1 32.3 20.5 43.0 32 54 A K H X S+ 0 0 88 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.893 112.4 52.2 -77.8 -31.5 30.2 22.0 40.2 33 55 A E H X S+ 0 0 78 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.966 111.4 48.9 -62.1 -45.6 30.6 25.6 41.1 34 56 A A H X S+ 0 0 12 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.878 110.4 52.6 -63.1 -33.2 34.4 25.0 41.1 35 57 A Y H X S+ 0 0 8 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.922 112.0 42.6 -64.4 -48.5 34.0 23.3 37.7 36 58 A F H X S+ 0 0 86 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.853 110.1 58.5 -72.9 -32.2 32.2 26.2 36.0 37 59 A K H < S+ 0 0 139 -4,-2.7 4,-0.2 -5,-0.2 -1,-0.2 0.884 110.2 43.3 -53.0 -46.1 34.5 28.7 37.7 38 60 A G H >< S+ 0 0 4 -4,-1.6 3,-1.0 -5,-0.2 -2,-0.2 0.864 112.9 51.9 -72.9 -34.5 37.4 26.9 35.9 39 61 A Y H >< S+ 0 0 70 -4,-1.9 3,-1.9 1,-0.3 -2,-0.2 0.846 95.9 69.7 -74.3 -29.2 35.6 26.6 32.6 40 62 A A T 3< S+ 0 0 83 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.619 98.9 50.6 -60.9 -19.4 34.7 30.4 32.6 41 63 A I T X S+ 0 0 59 -3,-1.0 3,-1.5 -4,-0.2 6,-0.4 0.070 76.5 147.9-112.8 18.5 38.4 31.2 32.0 42 64 A K T < + 0 0 99 -3,-1.9 2,-0.3 1,-0.2 4,-0.1 -0.176 67.8 24.7 -43.3 145.3 38.9 28.9 29.1 43 65 A G T 3 S+ 0 0 65 1,-0.2 -1,-0.2 2,-0.1 5,-0.1 -0.028 97.4 118.7 84.5 -32.8 41.5 30.3 26.6 44 66 A S S <> S- 0 0 39 -3,-1.5 4,-1.4 -2,-0.3 -1,-0.2 0.037 79.7-103.9 -64.7 171.1 43.2 32.4 29.2 45 67 A P H > S+ 0 0 106 0, 0.0 4,-3.4 0, 0.0 3,-0.4 0.934 121.5 52.1 -59.6 -51.3 46.8 32.1 30.4 46 68 A R H > S+ 0 0 57 1,-0.3 4,-2.5 2,-0.2 5,-0.1 0.893 109.1 52.5 -54.2 -40.4 46.0 30.3 33.7 47 69 A W H > S+ 0 0 25 -6,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.844 109.6 47.8 -60.5 -37.8 44.0 27.9 31.5 48 70 A K H X S+ 0 0 138 -4,-1.4 4,-2.1 -3,-0.4 -2,-0.2 0.918 108.1 55.1 -72.6 -42.7 47.1 27.4 29.3 49 71 A Q H X S+ 0 0 88 -4,-3.4 4,-2.8 1,-0.2 -2,-0.2 0.939 106.5 52.7 -43.8 -50.4 49.1 26.9 32.5 50 72 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.862 104.9 53.1 -63.3 -37.9 46.6 24.2 33.4 51 73 A A H X S+ 0 0 17 -4,-1.7 4,-0.6 2,-0.2 -1,-0.2 0.877 111.0 47.9 -63.5 -35.7 47.1 22.4 30.1 52 74 A E H >< S+ 0 0 88 -4,-2.1 3,-1.0 -3,-0.2 -2,-0.2 0.961 112.9 47.7 -68.0 -45.0 50.9 22.4 30.7 53 75 A D H 3< S+ 0 0 3 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.743 103.0 66.5 -60.6 -25.3 50.3 21.1 34.3 54 76 A A H 3< S+ 0 0 11 -4,-1.3 2,-0.4 -5,-0.2 -1,-0.2 0.675 75.1 94.2 -81.8 -20.4 47.9 18.4 33.0 55 77 A D << - 0 0 33 -3,-1.0 -4,-0.0 -4,-0.6 -3,-0.0 -0.616 52.5-171.8 -72.5 123.4 50.5 16.4 31.0 56 78 A I + 0 0 28 -2,-0.4 -1,-0.1 4,-0.1 -2,-0.0 0.298 38.8 127.6-106.0 8.7 51.8 13.5 33.2 57 79 A S S > S- 0 0 41 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.333 71.1-118.1 -53.8 150.4 54.6 12.3 30.9 58 80 A V H > S+ 0 0 17 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.865 113.4 57.8 -63.4 -36.3 57.9 12.0 32.7 59 81 A E H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.927 111.1 41.4 -58.9 -46.9 59.4 14.6 30.3 60 82 A N H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.902 113.6 52.6 -68.0 -45.2 56.8 17.2 31.3 61 83 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.951 110.9 48.6 -54.1 -49.0 57.0 16.3 35.0 62 84 A A H X S+ 0 0 5 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.893 109.3 51.4 -57.5 -44.2 60.8 16.8 34.8 63 85 A R H < S+ 0 0 154 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.864 114.3 44.5 -68.4 -30.1 60.5 20.1 33.1 64 86 A I H X S+ 0 0 23 -4,-2.1 4,-0.6 1,-0.1 -2,-0.2 0.939 118.9 39.6 -75.6 -44.5 58.1 21.4 35.7 65 87 A F H X S+ 0 0 0 -4,-2.7 4,-2.8 -5,-0.2 5,-0.4 0.769 97.8 77.0 -81.5 -24.2 59.9 20.1 38.8 66 88 A S H X>S+ 0 0 20 -4,-2.2 4,-2.1 -5,-0.3 5,-1.2 0.928 98.5 42.5 -56.3 -50.5 63.4 20.9 37.7 67 89 A P H 45S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 -2,-0.2 0.809 114.2 55.7 -63.8 -26.4 63.3 24.7 38.4 68 90 A V H <5S+ 0 0 23 -4,-0.6 -2,-0.2 -3,-0.3 90,-0.2 0.918 113.2 36.6 -75.4 -44.8 61.4 23.9 41.6 69 91 A V H <5S- 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -3,-0.2 0.747 107.3-128.3 -77.7 -21.6 64.0 21.5 43.1 70 92 A G T <5S+ 0 0 14 -4,-2.1 148,-2.9 -5,-0.4 2,-0.3 0.722 73.0 96.4 84.8 23.1 66.8 23.7 41.6 71 93 A A B S- 0 0 40 -2,-0.4 4,-2.2 1,-0.0 8,-0.3 -0.960 70.2-102.8-154.4 164.1 67.1 14.4 32.8 75 97 A P T 4 S+ 0 0 75 0, 0.0 8,-0.1 0, 0.0 7,-0.1 0.785 116.7 48.6 -64.1 -25.7 67.9 10.8 31.9 76 98 A K T 4 S+ 0 0 174 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.957 121.5 26.9 -77.2 -55.4 71.6 11.6 31.4 77 99 A D T 4 S+ 0 0 53 1,-0.2 -1,-0.1 2,-0.1 -5,-0.0 0.734 134.7 28.9 -82.9 -29.9 72.6 13.6 34.5 78 100 A T X + 0 0 0 -4,-2.2 4,-2.5 1,-0.1 -1,-0.2 -0.553 67.3 159.7-131.4 65.2 70.0 12.2 36.9 79 101 A P H > S+ 0 0 64 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.857 76.7 46.3 -63.2 -38.8 69.3 8.6 35.8 80 102 A E H > S+ 0 0 45 2,-0.2 4,-2.4 1,-0.2 127,-0.2 0.865 111.3 51.4 -72.1 -37.9 67.9 7.4 39.1 81 103 A T H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 108.5 53.8 -60.5 -44.4 65.7 10.5 39.6 82 104 A W H X S+ 0 0 37 -4,-2.5 4,-1.0 -8,-0.3 -2,-0.2 0.884 110.7 44.7 -54.4 -45.4 64.4 9.8 36.1 83 105 A N H X S+ 0 0 53 -4,-1.7 4,-3.0 2,-0.2 3,-0.2 0.890 110.7 56.0 -65.3 -39.9 63.5 6.2 37.0 84 106 A M H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.903 101.6 56.0 -59.9 -43.5 62.0 7.5 40.4 85 107 A L H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.870 114.4 40.0 -54.4 -39.9 59.6 9.9 38.5 86 108 A Q H X S+ 0 0 75 -4,-1.0 4,-1.6 -3,-0.2 -2,-0.2 0.885 112.1 53.5 -81.3 -44.9 58.2 6.9 36.5 87 109 A N H X S+ 0 0 6 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.927 108.5 52.2 -52.2 -42.4 58.2 4.4 39.4 88 110 A L H X>S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.8 0.786 101.4 60.5 -72.2 -27.0 56.1 6.9 41.4 89 111 A L H X>S+ 0 0 38 -4,-0.8 4,-1.6 -5,-0.2 5,-1.0 0.954 110.8 40.5 -57.8 -49.2 53.6 7.3 38.6 90 112 A K H X>S+ 0 0 104 -4,-1.6 5,-3.0 3,-0.2 4,-0.7 0.919 120.9 43.0 -65.1 -47.4 52.8 3.6 38.8 91 113 A M H <>S+ 0 0 0 -4,-2.4 5,-1.6 3,-0.2 -2,-0.2 0.953 130.2 23.6 -62.6 -52.1 52.9 3.5 42.6 92 114 A G H <5S+ 0 0 0 -4,-2.8 -3,-0.2 3,-0.2 -2,-0.2 0.884 126.8 42.9 -90.2 -43.0 51.0 6.7 43.3 93 115 A G H < S+ 0 0 1 -3,-0.5 4,-2.6 1,-0.1 -1,-0.2 0.480 90.9 101.0-108.4 -11.5 44.0 4.7 43.7 98 120 A A H X S+ 0 0 51 -4,-1.2 4,-2.3 -3,-0.3 5,-0.2 0.784 78.9 45.6 -60.8 -42.9 42.9 1.6 41.8 99 121 A S H > S+ 0 0 48 -4,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.916 117.1 43.4 -77.2 -36.7 40.4 -0.1 44.1 100 122 A A H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.911 113.8 53.5 -66.8 -39.7 38.4 3.0 45.0 101 123 A K H X S+ 0 0 9 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.953 113.8 40.9 -57.3 -51.0 38.6 4.1 41.3 102 124 A K H < S+ 0 0 172 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.856 112.3 56.5 -71.0 -35.5 37.1 0.8 40.1 103 125 A Y H < S+ 0 0 154 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.935 122.0 22.7 -58.1 -52.1 34.6 0.6 42.9 104 126 A Y H < S- 0 0 62 -4,-2.1 -2,-0.2 28,-0.3 -1,-0.2 0.703 78.6-160.7 -93.7 -27.6 32.9 4.0 42.3 105 127 A M < - 0 0 99 -4,-2.4 2,-0.1 -5,-0.4 -3,-0.1 0.904 23.4-153.1 45.0 55.8 33.7 4.5 38.6 106 128 A R - 0 0 24 -5,-0.3 25,-2.0 26,-0.3 2,-0.2 -0.407 9.6-119.9 -72.5 137.1 32.9 8.2 39.1 107 129 A T - 0 0 85 -3,-0.2 -1,-0.1 23,-0.1 23,-0.1 -0.505 29.6-119.6 -78.8 133.9 31.8 10.2 36.0 108 130 A R > - 0 0 7 -2,-0.2 4,-2.1 19,-0.1 3,-0.3 -0.395 15.4-120.1 -77.7 149.5 34.0 13.1 35.0 109 131 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 6,-0.2 0.887 110.1 52.8 -55.0 -43.9 32.8 16.7 34.9 110 132 A F H 4>S+ 0 0 1 63,-1.2 5,-1.8 1,-0.2 4,-0.5 0.861 110.7 48.1 -66.6 -31.8 33.5 17.3 31.2 111 133 A V H 45S+ 0 0 45 -3,-0.3 3,-0.4 3,-0.2 -1,-0.2 0.902 111.1 51.3 -71.8 -39.0 31.6 14.2 30.2 112 134 A L H <5S+ 0 0 73 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.845 120.1 33.3 -67.4 -36.7 28.6 15.2 32.4 113 135 A F T <5S- 0 0 47 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.292 106.6-121.7-106.4 5.4 28.4 18.7 31.0 114 136 A N T 5 + 0 0 54 -4,-0.5 2,-0.2 -3,-0.4 -3,-0.2 0.845 65.8 132.2 62.0 36.4 29.4 17.8 27.4 115 137 A H < - 0 0 49 -5,-1.8 2,-0.3 -6,-0.2 -1,-0.2 -0.596 57.1-110.8-106.0 176.3 32.4 20.1 27.3 116 138 A S - 0 0 39 -2,-0.2 2,-0.1 -3,-0.1 -1,-0.0 -0.713 30.9-126.6-101.6 153.7 36.0 19.7 26.3 117 139 A T - 0 0 4 -2,-0.3 56,-0.2 1,-0.1 55,-0.1 -0.326 31.3 -97.2 -87.8-179.3 38.9 19.8 28.8 118 140 A a S S+ 0 0 10 54,-1.6 55,-0.1 1,-0.2 54,-0.1 0.553 122.6 42.9 -71.9 -5.4 42.0 21.9 28.7 119 141 A R >> + 0 0 46 53,-0.3 3,-1.3 1,-0.1 4,-0.6 -0.624 65.0 175.3-142.8 76.7 43.7 18.8 27.2 120 142 A P G >4 S+ 0 0 79 0, 0.0 3,-1.2 0, 0.0 4,-0.5 0.823 73.7 69.3 -59.6 -29.1 41.6 17.2 24.5 121 143 A E G 34 S+ 0 0 133 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.843 103.7 42.4 -57.2 -34.8 44.2 14.6 23.5 122 144 A D G X> S+ 0 0 41 -3,-1.3 4,-1.8 1,-0.2 3,-0.7 0.623 88.3 96.6 -86.7 -12.3 43.9 12.8 26.8 123 145 A E H S+ 0 0 43 -4,-0.5 4,-0.6 -3,-0.3 -1,-0.3 0.873 110.4 49.2 -70.5 -34.1 39.4 9.5 25.6 125 147 A T H X4 S+ 0 0 79 -3,-0.7 3,-0.7 -4,-0.3 4,-0.3 0.881 110.6 51.9 -62.7 -39.8 41.7 7.7 28.0 126 148 A L H >< S+ 0 0 17 -4,-1.8 3,-1.2 1,-0.2 -2,-0.2 0.805 96.7 67.5 -75.3 -26.8 40.2 9.6 30.9 127 149 A R H 3< S+ 0 0 96 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.813 99.5 50.8 -57.1 -35.8 36.6 8.6 30.0 128 150 A K T << S+ 0 0 151 -3,-0.7 2,-0.5 -4,-0.6 -1,-0.2 0.600 100.4 79.6 -82.7 -7.6 37.3 4.9 30.8 129 151 A D S < S- 0 0 64 -3,-1.2 -21,-0.1 -4,-0.3 -27,-0.1 -0.855 85.9-110.7-114.0 125.3 38.8 5.7 34.2 130 152 A G - 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0 0 28 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.369 41.4 -86.5 -72.4 163.5 46.7 29.4 49.7 239 41 B P - 0 0 89 0, 0.0 3,-0.1 0, 0.0 81,-0.0 -0.381 57.0 -94.5 -61.7 154.1 44.8 32.1 51.6 240 42 B P - 0 0 26 0, 0.0 2,-0.1 0, 0.0 8,-0.1 -0.300 53.6 -77.2 -67.2 157.8 41.6 30.7 53.3 241 43 B P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 157,-0.0 -0.364 56.2-148.4 -53.7 130.9 38.3 30.9 51.4 242 44 B G > - 0 0 29 -3,-0.1 3,-2.7 -2,-0.1 6,-0.3 -0.563 33.2 -71.8-106.7 175.6 36.9 34.5 51.7 243 45 B N T 3 S+ 0 0 125 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.634 127.6 31.9 -36.0 -45.4 33.4 36.0 51.8 244 46 B D T 3 S+ 0 0 124 4,-0.1 -1,-0.3 5,-0.0 5,-0.1 0.557 90.1 116.6 -97.6 -8.8 32.4 35.3 48.2 245 47 B D <> - 0 0 74 -3,-2.7 4,-2.1 1,-0.1 3,-0.4 -0.346 65.3-133.8 -68.7 140.2 34.2 32.1 47.4 246 48 B P H > S+ 0 0 19 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.862 109.9 57.2 -54.4 -42.2 32.4 28.9 46.6 247 49 B A H > S+ 0 0 16 2,-0.2 4,-2.7 1,-0.2 151,-0.2 0.902 107.3 49.5 -56.4 -36.6 34.7 27.0 49.0 248 50 B F H > S+ 0 0 21 -3,-0.4 4,-2.1 -6,-0.3 -1,-0.2 0.916 107.0 52.4 -71.8 -39.7 33.5 29.4 51.7 249 51 B R H X S+ 0 0 100 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.913 111.8 49.0 -57.5 -38.9 29.9 28.8 50.8 250 52 B Y H X S+ 0 0 38 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.919 105.1 56.9 -66.9 -42.7 30.8 25.1 51.2 251 53 B D H X S+ 0 0 3 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.884 110.0 45.4 -52.4 -45.9 32.4 25.8 54.6 252 54 B K H X S+ 0 0 70 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.934 111.9 50.7 -66.7 -46.2 29.2 27.3 55.8 253 55 B E H X S+ 0 0 57 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.918 112.0 47.3 -58.3 -43.1 27.0 24.5 54.5 254 56 B A H X S+ 0 0 11 -4,-2.8 4,-1.1 2,-0.2 -1,-0.2 0.857 112.0 51.9 -70.2 -31.4 29.2 21.9 56.1 255 57 B Y H >X S+ 0 0 6 -4,-1.8 4,-2.2 -5,-0.3 3,-0.6 0.964 110.4 46.8 -63.6 -51.2 29.1 23.9 59.3 256 58 B F H 3X S+ 0 0 103 -4,-3.1 4,-1.8 1,-0.3 -2,-0.2 0.919 109.9 53.8 -57.6 -45.2 25.3 24.1 59.3 257 59 B K H 3< S+ 0 0 127 -4,-2.4 -1,-0.3 -5,-0.2 4,-0.2 0.787 111.1 47.6 -60.0 -30.1 25.0 20.3 58.5 258 60 B G H X< S+ 0 0 4 -4,-1.1 3,-0.7 -3,-0.6 -1,-0.2 0.848 111.6 46.3 -82.3 -37.9 27.2 19.6 61.6 259 61 B Y H >< S+ 0 0 54 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.760 100.6 70.1 -72.9 -23.8 25.5 21.8 64.1 260 62 B A T 3< S+ 0 0 86 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.670 97.3 51.6 -70.1 -15.3 22.1 20.4 62.9 261 63 B I T X S+ 0 0 59 -3,-0.7 3,-2.1 -4,-0.2 6,-0.4 0.146 76.8 151.8-109.4 17.7 23.0 17.1 64.5 262 64 B K T < + 0 0 102 -3,-1.7 -3,-0.1 1,-0.2 4,-0.1 -0.221 67.3 21.3 -40.3 127.7 23.9 18.5 67.9 263 65 B G T 3 S+ 0 0 49 1,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.168 94.5 120.5 98.2 -17.2 23.2 15.9 70.6 264 66 B S S <> S- 0 0 36 -3,-2.1 4,-1.5 1,-0.1 -1,-0.3 -0.159 80.9 -98.8 -68.9 168.7 23.3 12.8 68.4 265 67 B P H >> S+ 0 0 103 0, 0.0 4,-2.6 0, 0.0 3,-0.7 0.947 125.5 54.8 -43.3 -59.5 25.7 9.8 68.8 266 68 B R H 3> S+ 0 0 60 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.853 106.6 51.9 -48.4 -40.0 27.9 11.2 66.0 267 69 B W H 3> S+ 0 0 25 -6,-0.4 4,-1.7 2,-0.2 -1,-0.3 0.843 109.1 49.8 -67.9 -35.3 28.1 14.5 68.0 268 70 B K H < S+ 0 0 109 -4,-1.5 3,-0.5 1,-0.2 -1,-0.2 0.806 110.2 51.2 -73.8 -30.4 35.6 12.5 72.1 273 75 B D H 3< S+ 0 0 3 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.701 97.9 70.0 -74.7 -21.4 37.8 13.1 69.0 274 76 B A T 3< S+ 0 0 13 -4,-1.2 2,-0.8 -3,-0.2 -1,-0.2 0.693 75.1 91.5 -76.1 -20.0 38.1 16.8 69.9 275 77 B D < - 0 0 35 -3,-0.5 -1,-0.0 -4,-0.4 -4,-0.0 -0.672 51.1-177.9 -81.6 106.8 40.3 16.2 72.9 276 78 B I + 0 0 22 -2,-0.8 -1,-0.1 4,-0.1 -2,-0.1 0.300 35.7 131.3 -91.6 9.7 44.0 16.3 71.8 277 79 B S S > S- 0 0 41 1,-0.1 4,-2.6 4,-0.1 3,-0.3 -0.341 70.2-118.3 -54.8 143.6 45.4 15.5 75.2 278 80 B V H > S+ 0 0 24 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 112.9 57.3 -57.1 -35.3 48.0 12.7 74.9 279 81 B E H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.920 111.7 41.0 -64.3 -44.2 45.9 10.4 77.1 280 82 B N H > S+ 0 0 16 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.879 113.7 52.9 -70.1 -39.1 42.9 10.7 74.9 281 83 B I H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.957 110.3 48.5 -61.9 -45.0 44.9 10.4 71.7 282 84 B A H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.870 109.1 53.2 -61.8 -39.3 46.5 7.3 73.0 283 85 B R H < S+ 0 0 122 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.929 112.2 44.8 -62.7 -45.3 43.1 5.8 73.9 284 86 B I H < S+ 0 0 13 -4,-2.3 4,-0.5 1,-0.2 -2,-0.2 0.908 117.3 42.4 -63.9 -43.4 41.8 6.4 70.4 285 87 B F H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 5,-0.4 0.748 96.5 79.2 -83.6 -20.1 44.8 5.1 68.5 286 88 B S H X>S+ 0 0 16 -4,-1.8 5,-1.8 1,-0.3 4,-1.2 0.896 98.4 38.4 -52.5 -56.9 45.4 2.0 70.6 287 89 B P H 45S+ 0 0 73 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.722 117.1 54.8 -66.6 -26.0 42.7 -0.2 69.2 288 90 B V H 45S+ 0 0 23 -4,-0.5 -2,-0.2 -3,-0.3 90,-0.2 0.911 114.3 36.1 -78.8 -42.0 43.4 1.1 65.7 289 91 B V H <5S- 0 0 0 -4,-3.1 -3,-0.2 2,-0.2 -1,-0.2 0.652 111.2-125.2 -82.9 -13.5 47.2 0.4 65.7 290 92 B G T <5S+ 0 0 4 -4,-1.2 148,-1.1 -5,-0.4 2,-0.3 0.893 72.5 89.2 69.5 43.8 46.4 -2.8 67.7 291 93 B A B - 0 0 43 -2,-0.5 4,-2.2 1,-0.0 8,-0.3 -0.974 68.7-102.8-155.3 161.7 50.8 4.0 77.9 295 97 B P T 4 S+ 0 0 78 0, 0.0 8,-0.1 0, 0.0 7,-0.1 0.767 117.5 45.9 -58.4 -26.1 53.8 5.6 79.7 296 98 B K T 4 S+ 0 0 168 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.937 120.5 30.0 -87.0 -49.1 54.7 2.4 81.3 297 99 B D T 4 S+ 0 0 44 1,-0.2 -1,-0.1 2,-0.1 -5,-0.1 0.662 134.4 26.1 -88.9 -22.0 54.5 -0.3 78.5 298 100 B T X + 0 0 0 -4,-2.2 4,-2.6 1,-0.1 -1,-0.2 -0.475 67.2 163.0-140.7 66.9 55.5 2.0 75.6 299 101 B P H > S+ 0 0 65 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.759 77.7 45.1 -63.1 -34.2 57.6 4.9 76.9 300 102 B E H > S+ 0 0 45 2,-0.2 4,-3.5 3,-0.2 5,-0.2 0.902 111.9 51.2 -78.8 -41.6 59.0 6.0 73.5 301 103 B T H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.936 109.7 53.1 -54.4 -43.9 55.7 5.8 71.7 302 104 B W H X S+ 0 0 33 -4,-2.6 4,-1.1 -8,-0.3 -2,-0.2 0.911 112.4 42.9 -57.7 -47.6 54.3 7.9 74.6 303 105 B N H X S+ 0 0 47 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.899 110.6 57.1 -62.9 -42.2 57.1 10.5 74.0 304 106 B M H X S+ 0 0 2 -4,-3.5 4,-2.3 1,-0.2 5,-0.2 0.922 104.1 52.4 -55.9 -44.3 56.6 10.3 70.2 305 107 B L H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.858 113.2 44.7 -59.9 -37.7 52.9 11.2 70.6 306 108 B Q H X S+ 0 0 68 -4,-1.1 4,-1.4 -5,-0.2 -2,-0.2 0.886 111.7 51.9 -75.7 -38.8 53.9 14.3 72.6 307 109 B N H X S+ 0 0 6 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.873 108.4 51.1 -61.7 -39.6 56.7 15.2 70.2 308 110 B L H X>S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.7 0.788 102.3 59.2 -77.0 -26.4 54.4 15.1 67.2 309 111 B L H X>S+ 0 0 32 -4,-1.1 4,-1.2 -5,-0.2 5,-1.0 0.922 112.1 42.2 -61.9 -41.6 51.8 17.3 68.8 310 112 B K H X>S+ 0 0 94 -4,-1.4 5,-2.8 3,-0.2 4,-0.6 0.936 120.1 42.0 -68.1 -48.2 54.5 20.0 69.1 311 113 B M H <>S+ 0 0 0 -4,-2.6 5,-2.0 3,-0.2 -2,-0.2 0.959 131.1 23.0 -64.2 -47.5 56.0 19.3 65.6 312 114 B G H <5S+ 0 0 0 -4,-3.0 -3,-0.2 3,-0.2 47,-0.2 0.875 126.6 42.6 -94.4 -46.9 52.6 19.0 63.8 313 115 B G H <X4 S+ 0 0 1 -3,-0.6 4,-2.3 -5,-0.1 -1,-0.2 0.511 90.6 100.9-105.2 -8.0 51.0 25.5 61.3 318 120 B A H S+ 0 0 45 -4,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.924 116.1 45.9 -74.9 -36.2 53.3 31.1 60.4 320 122 B A H > S+ 0 0 0 2,-0.2 4,-2.1 -4,-0.2 5,-0.4 0.933 112.9 50.4 -66.9 -44.6 50.0 30.6 58.5 321 123 B K H X S+ 0 0 13 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.946 114.5 43.6 -54.6 -55.9 47.9 30.7 61.6 322 124 B K H < S+ 0 0 178 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.7 53.0 -57.3 -40.1 49.5 33.9 62.8 323 125 B Y H < S+ 0 0 152 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.849 123.6 22.8 -69.3 -35.6 49.4 35.5 59.4 324 126 B Y H < S- 0 0 62 -4,-2.1 -2,-0.2 28,-0.3 -1,-0.2 0.799 75.0-163.0-104.4 -34.9 45.7 34.9 58.7 325 127 B M < - 0 0 110 -4,-2.9 2,-0.2 -5,-0.4 -3,-0.1 0.918 22.2-158.6 49.5 53.4 44.1 34.7 62.1 326 128 B R - 0 0 26 26,-0.3 25,-2.3 -5,-0.2 2,-0.2 -0.415 13.8-118.7 -69.6 133.9 41.0 33.1 60.6 327 129 B T - 0 0 75 -2,-0.2 -1,-0.1 23,-0.2 23,-0.1 -0.470 30.4-117.8 -72.3 139.4 37.8 33.3 62.8 328 130 B R >> - 0 0 6 -2,-0.2 4,-1.8 21,-0.1 3,-0.6 -0.347 18.9-114.7 -81.0 158.1 36.3 30.0 63.8 329 131 B P H 3> S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 65,-0.2 0.886 111.9 55.1 -61.4 -44.4 32.8 28.9 62.7 330 132 B F H 34>S+ 0 0 1 63,-1.5 5,-2.9 1,-0.2 64,-0.1 0.813 110.6 47.4 -62.5 -25.6 31.3 28.8 66.2 331 133 B V H X45S+ 0 0 52 -3,-0.6 3,-1.0 3,-0.2 -1,-0.2 0.860 108.1 54.0 -80.2 -38.7 32.3 32.5 66.7 332 134 B L H 3<5S+ 0 0 83 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.771 119.7 34.1 -68.9 -24.5 31.0 33.6 63.3 333 135 B F T 3<5S- 0 0 53 -4,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.022 108.7-117.7-118.4 20.8 27.5 32.1 64.1 334 136 B N T < 5 + 0 0 146 -3,-1.0 2,-0.2 1,-0.1 -3,-0.2 0.841 67.8 131.8 49.8 48.7 27.4 32.8 67.9 335 137 B H < - 0 0 71 -5,-2.9 2,-0.2 -6,-0.1 -1,-0.1 -0.711 57.3-106.2-121.3 174.0 27.2 29.1 68.9 336 138 B S - 0 0 39 -2,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.629 31.7-131.6 -86.5 157.8 28.7 26.6 71.3 337 139 B T - 0 0 3 -2,-0.2 56,-0.2 57,-0.0 55,-0.1 -0.457 30.4-100.1 -96.7 179.4 31.2 23.8 70.1 338 140 B b S S+ 0 0 10 54,-1.4 55,-0.1 1,-0.2 -64,-0.1 0.534 120.1 42.0 -76.3 -5.8 31.0 20.1 70.9 339 141 B R > + 0 0 57 53,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.625 65.4 173.7-141.8 76.1 33.7 20.6 73.6 340 142 B P G > S+ 0 0 67 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.753 73.1 71.1 -62.8 -24.7 33.0 23.9 75.5 341 143 B E G 3 S+ 0 0 133 1,-0.3 4,-0.2 2,-0.1 3,-0.1 0.657 103.2 44.4 -63.5 -17.3 35.8 23.3 78.0 342 144 B D G <> S+ 0 0 41 -3,-2.0 4,-1.8 1,-0.1 3,-0.3 0.444 85.7 95.0-104.8 -3.6 38.3 24.0 75.2 343 145 B E H <> S+ 0 0 25 -3,-1.3 4,-2.0 -4,-0.3 -2,-0.1 0.831 76.4 60.2 -64.1 -33.7 36.5 27.1 73.8 344 146 B N H > S+ 0 0 112 -4,-0.4 4,-0.7 2,-0.2 -1,-0.2 0.923 109.9 40.7 -60.5 -50.6 38.5 29.6 75.7 345 147 B T H >> S+ 0 0 90 -3,-0.3 3,-2.6 -4,-0.2 4,-0.6 0.993 112.6 54.0 -56.2 -63.4 41.9 28.6 74.3 346 148 B L H >< S+ 0 0 19 -4,-1.8 3,-1.2 1,-0.3 -2,-0.2 0.782 99.9 62.9 -46.8 -36.5 40.6 28.1 70.7 347 149 B R H 3< S+ 0 0 147 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.844 100.8 52.9 -54.6 -37.1 39.2 31.6 70.7 348 150 B K H << S+ 0 0 147 -3,-2.6 2,-0.4 -4,-0.7 -1,-0.3 0.692 103.4 73.7 -71.9 -17.5 42.7 33.0 71.1 349 151 B D S << S- 0 0 70 -3,-1.2 -21,-0.1 -4,-0.6 -27,-0.0 -0.809 82.9-113.7-118.4 132.6 44.0 31.1 68.1 350 152 B G - 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0 0 24 -3,-2.1 4,-1.8 1,-0.1 3,-0.7 -0.907 64.4-151.4-113.2 116.0 65.9 14.1 60.9 418 220 B P H 3> S+ 0 0 89 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.857 95.9 58.4 -51.4 -44.7 68.1 11.5 62.6 419 221 B A H 3> S+ 0 0 43 1,-0.2 4,-2.3 -195,-0.2 5,-0.2 0.867 107.1 48.6 -55.9 -39.7 66.4 12.0 66.0 420 222 B F H <> S+ 0 0 0 -3,-0.7 4,-3.2 -6,-0.2 -1,-0.2 0.923 111.6 48.7 -66.3 -44.4 63.1 11.1 64.5 421 223 B Q H X S+ 0 0 64 -4,-1.8 4,-1.9 -7,-0.2 -2,-0.2 0.935 111.8 48.9 -61.4 -46.2 64.5 8.0 62.8 422 224 B K H X S+ 0 0 158 -4,-3.1 4,-1.1 1,-0.2 3,-0.3 0.964 114.9 45.3 -57.1 -47.7 66.1 6.8 66.0 423 225 B S H >X S+ 0 0 6 -4,-2.3 4,-2.3 1,-0.2 3,-0.5 0.909 109.7 54.0 -66.5 -36.8 62.9 7.4 67.9 424 226 B L H 3X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.851 102.9 58.5 -63.3 -35.5 60.8 5.7 65.2 425 227 B A H 3X S+ 0 0 35 -4,-1.9 4,-1.3 -3,-0.3 -1,-0.2 0.830 108.7 44.4 -64.8 -34.3 63.0 2.6 65.4 426 228 B K H < S+ 0 0 143 -4,-1.3 3,-0.6 1,-0.2 4,-0.5 0.937 112.8 48.8 -57.0 -56.0 59.9 -2.3 68.5 430 232 B E H >< S+ 0 0 28 -4,-2.7 3,-0.6 1,-0.2 -2,-0.2 0.862 113.1 47.5 -54.7 -39.9 57.5 -1.3 71.3 431 233 B L H 3< S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.640 114.5 43.7 -86.8 -15.6 54.4 -1.6 69.0 432 234 B N T << S+ 0 0 62 -4,-1.0 2,-0.4 -3,-0.6 -1,-0.2 0.259 84.7 121.2-106.9 6.8 55.3 -5.0 67.5 433 235 B D X> - 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0 0 32 -3,-0.9 -4,-0.0 -4,-0.3 64,-0.0 -0.747 54.2-170.9 -89.1 119.1 33.7 0.6 20.4 716 78 D I + 0 0 23 -2,-0.6 -1,-0.1 4,-0.1 -2,-0.1 0.323 39.1 129.1 -96.8 7.3 30.1 0.5 19.3 717 79 D S S >> S- 0 0 43 1,-0.1 4,-2.1 4,-0.1 3,-0.5 -0.326 71.7-114.5 -62.8 149.3 28.4 1.4 22.6 718 80 D V H 3> S+ 0 0 18 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.795 113.7 58.1 -63.5 -28.6 26.0 4.3 22.4 719 81 D E H 3> S+ 0 0 120 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.927 109.9 42.0 -61.3 -52.4 28.2 6.5 24.6 720 82 D N H <> S+ 0 0 7 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.861 114.6 51.6 -64.9 -37.0 31.2 6.2 22.3 721 83 D I H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.933 110.5 47.8 -66.3 -47.7 29.1 6.6 19.1 722 84 D A H X S+ 0 0 3 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.917 111.0 52.3 -58.5 -47.5 27.4 9.8 20.4 723 85 D R H < S+ 0 0 50 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.906 113.4 43.8 -51.2 -52.3 30.8 11.2 21.4 724 86 D I H X S+ 0 0 15 -4,-2.2 4,-0.6 1,-0.2 -2,-0.2 0.937 118.6 40.8 -61.7 -46.9 32.1 10.5 17.9 725 87 D F H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.689 97.0 79.9 -80.4 -16.3 29.2 11.8 15.9 726 88 D S H X>S+ 0 0 14 -4,-1.8 5,-2.0 1,-0.2 4,-1.4 0.915 98.3 37.1 -65.4 -47.9 28.4 14.9 18.1 727 89 D P H 45S+ 0 0 79 0, 0.0 -1,-0.2 0, 0.0 -2,-0.2 0.795 117.0 55.4 -69.9 -29.5 31.1 17.2 16.7 728 90 D V H <5S+ 0 0 24 -4,-0.6 -2,-0.2 1,-0.2 90,-0.1 0.912 115.1 36.1 -68.7 -43.2 30.6 15.8 13.2 729 91 D V H <5S- 0 0 0 -4,-2.9 -1,-0.2 2,-0.2 -3,-0.2 0.672 111.4-124.5 -86.6 -16.9 26.8 16.6 13.3 730 92 D G T <5S+ 0 0 5 -4,-1.4 148,-2.5 -5,-0.3 2,-0.3 0.789 71.8 91.0 83.1 31.5 27.5 19.8 15.2 731 93 D A B - 0 0 15 -2,-0.4 4,-2.2 -12,-0.0 8,-0.3 -0.971 69.3 -98.0-158.0 164.1 23.2 12.9 25.4 735 97 D P T 4 S+ 0 0 75 0, 0.0 8,-0.1 0, 0.0 7,-0.1 0.760 117.4 41.1 -63.4 -21.7 20.2 11.3 27.2 736 98 D K T 4 S+ 0 0 172 2,-0.1 -3,-0.0 1,-0.1 0, 0.0 0.911 120.8 35.2 -93.6 -45.8 19.0 14.6 28.8 737 99 D D T 4 S+ 0 0 56 1,-0.2 -1,-0.1 2,-0.1 138,-0.1 0.827 133.8 23.8 -76.5 -34.6 19.3 17.2 26.0 738 100 D T X + 0 0 0 -4,-2.2 4,-2.1 1,-0.1 -1,-0.2 -0.642 68.3 159.5-135.2 70.1 18.5 14.9 23.1 739 101 D P H > S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.855 77.2 47.2 -71.3 -35.0 16.4 12.0 24.4 740 102 D E H > S+ 0 0 45 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.956 112.5 49.8 -69.0 -47.2 14.8 11.0 21.1 741 103 D T H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 109.2 53.8 -53.3 -42.2 18.2 11.1 19.3 742 104 D W H X S+ 0 0 31 -4,-2.1 4,-1.2 -8,-0.3 -1,-0.2 0.931 111.0 44.8 -60.9 -44.6 19.5 9.0 22.1 743 105 D N H X S+ 0 0 55 -4,-2.0 4,-3.1 2,-0.2 -1,-0.2 0.863 109.5 57.0 -60.8 -42.2 16.8 6.4 21.5 744 106 D M H X S+ 0 0 2 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.940 104.0 52.1 -59.3 -43.9 17.4 6.6 17.7 745 107 D L H X S+ 0 0 1 -4,-2.5 4,-0.9 1,-0.2 -1,-0.2 0.831 113.8 43.8 -62.2 -35.3 21.0 5.7 18.2 746 108 D Q H X S+ 0 0 85 -4,-1.2 4,-1.4 -5,-0.2 3,-0.3 0.911 113.1 50.8 -76.6 -40.5 20.0 2.6 20.2 747 109 D N H X S+ 0 0 6 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.895 108.1 53.2 -63.1 -37.3 17.2 1.7 17.8 748 110 D L H X>S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.7 0.792 102.3 57.4 -71.3 -28.5 19.6 1.9 14.8 749 111 D L H X>S+ 0 0 36 -4,-0.9 4,-1.4 -3,-0.3 5,-1.3 0.936 111.8 43.2 -65.0 -42.0 22.1 -0.5 16.3 750 112 D K H X>S+ 0 0 87 -4,-1.4 5,-2.9 3,-0.2 4,-0.5 0.939 119.5 42.6 -66.4 -49.3 19.4 -3.1 16.6 751 113 D M H <>S+ 0 0 0 -4,-2.6 5,-1.7 3,-0.2 -2,-0.2 0.945 132.0 20.6 -61.4 -50.3 18.0 -2.4 13.2 752 114 D G H <5S+ 0 0 0 -4,-3.0 -3,-0.2 3,-0.2 -2,-0.2 0.863 127.5 43.8 -97.8 -41.6 21.3 -2.1 11.3 753 115 D G H <X S+ 0 0 2 -3,-0.5 4,-2.3 -5,-0.2 -1,-0.2 0.480 91.0 101.0-100.9 -8.4 22.9 -8.5 8.9 758 120 D A H X S+ 0 0 52 -4,-1.0 4,-2.1 -3,-0.5 5,-0.2 0.835 79.2 43.6 -62.1 -42.4 21.5 -11.6 10.8 759 121 D S H > S+ 0 0 45 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.890 116.0 46.3 -77.9 -35.2 20.7 -14.1 8.1 760 122 D A H > S+ 0 0 0 2,-0.2 4,-2.2 -4,-0.2 5,-0.4 0.926 112.9 51.8 -66.8 -39.6 23.9 -13.6 6.0 761 123 D K H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.921 114.0 41.4 -62.2 -50.0 26.0 -13.8 9.2 762 124 D K H < S+ 0 0 173 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.904 113.7 55.0 -62.2 -41.4 24.5 -17.1 10.5 763 125 D Y H < S+ 0 0 149 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.884 123.2 21.6 -66.9 -38.2 24.5 -18.5 7.0 764 126 D Y H < S- 0 0 62 -4,-2.2 -1,-0.2 28,-0.3 -2,-0.2 0.780 75.7-162.2-100.8 -37.3 28.2 -18.0 6.3 765 127 D M < - 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