==== 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 ISOMERASE 12-AUG-05 2AO2 . COMPND 2 MOLECULE: CHORISMATE MUTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR R.QAMRA,P.PRAKASH,B.ARUNA,S.E.HASNAIN,S.C.MANDE,TB STRUCTURA . 497 5 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24656.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 375 75.5 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 306 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.8 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 3 0 0 0 0 0 1 6 2 0 0 3 0 3 0 0 1 2 0 0 0 0 0 0 3 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 35 A G 0 0 115 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 37.4 31.7 21.0 -2.5 2 36 A T - 0 0 100 134,-0.0 2,-0.2 4,-0.0 131,-0.1 -0.978 360.0-127.2-148.5 131.2 32.2 24.8 -2.1 3 37 A S > - 0 0 3 -2,-0.4 3,-2.0 1,-0.1 4,-0.3 -0.475 18.4-135.3 -69.0 134.5 32.8 27.3 0.6 4 38 A Q T 3 S+ 0 0 114 1,-0.3 3,-0.3 -2,-0.2 4,-0.3 0.683 110.4 56.1 -57.7 -22.3 30.6 30.4 0.8 5 39 A L T 3> S+ 0 0 0 124,-0.3 4,-2.1 1,-0.2 -1,-0.3 0.322 78.1 98.9 -93.2 10.9 33.8 32.3 1.3 6 40 A A H <> S+ 0 0 16 -3,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.902 81.5 49.0 -63.5 -43.9 35.3 31.0 -2.0 7 41 A E H > S+ 0 0 130 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.891 112.9 46.9 -65.9 -43.4 34.5 34.1 -4.0 8 42 A L H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.910 115.7 43.9 -59.9 -47.2 35.9 36.4 -1.4 9 43 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.850 111.3 55.2 -73.4 -30.9 39.2 34.5 -1.0 10 44 A D H X S+ 0 0 48 -4,-2.3 4,-2.7 -5,-0.3 -1,-0.2 0.920 110.4 46.6 -66.1 -41.5 39.5 34.0 -4.8 11 45 A A H X S+ 0 0 5 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.899 112.0 49.9 -61.5 -45.3 39.3 37.8 -5.2 12 46 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.880 112.4 46.8 -63.4 -41.5 41.7 38.4 -2.5 13 47 A A H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.881 110.8 52.7 -63.9 -43.0 44.1 35.8 -4.0 14 48 A E H X S+ 0 0 59 -4,-2.7 4,-0.9 1,-0.2 -2,-0.2 0.909 108.8 50.5 -60.3 -39.7 43.7 37.4 -7.5 15 49 A R H < S+ 0 0 11 -4,-2.4 3,-0.4 1,-0.2 4,-0.3 0.845 106.7 54.5 -67.7 -38.2 44.5 40.8 -6.0 16 50 A L H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.2 4,-0.3 0.864 101.7 59.4 -56.8 -39.8 47.7 39.4 -4.4 17 51 A E H >< S+ 0 0 56 -4,-1.7 3,-1.5 1,-0.3 -1,-0.2 0.765 88.9 70.1 -68.7 -22.8 48.8 38.1 -7.7 18 52 A V T 3X S+ 0 0 17 -4,-0.9 4,-2.2 -3,-0.4 -1,-0.3 0.738 80.4 80.6 -61.4 -22.3 48.7 41.7 -9.0 19 53 A A H <> S+ 0 0 1 -3,-1.9 4,-3.0 -4,-0.3 -1,-0.2 0.817 85.9 58.8 -49.5 -34.8 51.8 42.1 -6.7 20 54 A D H <> S+ 0 0 46 -3,-1.5 4,-2.6 -4,-0.3 5,-0.2 0.981 109.1 37.6 -68.1 -57.8 53.9 40.5 -9.5 21 55 A P H > S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.876 118.2 53.4 -60.9 -32.7 53.3 42.9 -12.3 22 56 A V H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.974 110.7 45.5 -62.9 -52.3 53.3 45.8 -9.8 23 57 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.930 113.3 50.5 -58.5 -39.9 56.7 44.7 -8.4 24 58 A A H X S+ 0 0 3 -4,-2.6 4,-1.8 -5,-0.2 -1,-0.2 0.881 112.1 46.7 -64.9 -41.7 58.0 44.3 -12.0 25 59 A F H X S+ 0 0 35 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.955 113.2 48.0 -62.8 -50.1 56.8 47.7 -13.0 26 60 A K H X>S+ 0 0 37 -4,-2.7 5,-2.2 2,-0.2 4,-0.6 0.881 108.9 55.0 -62.1 -37.3 58.2 49.4 -9.9 27 61 A W H ><5S+ 0 0 70 -4,-2.6 3,-1.0 -5,-0.2 -1,-0.2 0.968 113.8 41.2 -56.1 -50.9 61.6 47.7 -10.3 28 62 A R H 3<5S+ 0 0 112 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.844 120.1 42.8 -70.2 -36.4 61.9 49.0 -13.9 29 63 A A H 3<5S- 0 0 37 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.342 107.9-121.0 -87.7 1.6 60.6 52.5 -13.0 30 64 A Q T <<5 + 0 0 182 -3,-1.0 -3,-0.2 -4,-0.6 -4,-0.1 0.896 58.6 154.1 52.0 46.7 62.6 52.8 -9.7 31 65 A L < - 0 0 68 -5,-2.2 -1,-0.2 -6,-0.1 -2,-0.1 -0.801 45.7-109.2 -97.4 145.0 59.5 53.3 -7.6 32 66 A P - 0 0 58 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.338 13.1-138.4 -67.5 152.1 59.4 52.3 -3.9 33 67 A I S S+ 0 0 5 1,-0.2 2,-0.6 -7,-0.0 42,-0.1 0.899 92.2 40.6 -71.4 -48.5 57.4 49.3 -2.8 34 68 A E + 0 0 71 38,-0.0 2,-0.4 4,-0.0 -1,-0.2 -0.941 57.0 170.0-107.4 122.7 55.9 51.0 0.3 35 69 A D > - 0 0 81 -2,-0.6 4,-2.1 -3,-0.1 3,-0.4 -0.944 16.6-164.3-121.7 107.9 54.8 54.6 0.1 36 70 A S H > S+ 0 0 91 -2,-0.4 4,-2.1 1,-0.3 5,-0.1 0.788 87.0 57.2 -72.0 -28.2 53.0 55.1 3.4 37 71 A G H > S+ 0 0 28 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.919 109.8 46.2 -56.6 -45.7 51.3 58.3 2.3 38 72 A R H > S+ 0 0 99 -3,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.878 111.8 50.0 -68.3 -43.7 49.8 56.3 -0.6 39 73 A V H X S+ 0 0 22 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.877 108.0 53.3 -61.1 -44.5 48.7 53.4 1.6 40 74 A E H X S+ 0 0 19 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.899 111.3 46.7 -55.1 -46.7 47.1 55.8 4.0 41 75 A Q H X S+ 0 0 117 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.922 111.3 51.6 -60.3 -48.9 45.1 57.3 1.1 42 76 A Q H X S+ 0 0 64 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.930 113.5 44.5 -56.4 -48.4 44.2 53.9 -0.2 43 77 A L H X S+ 0 0 6 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.888 111.6 52.2 -65.5 -38.5 42.9 52.9 3.2 44 78 A A H X S+ 0 0 36 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.890 110.5 47.9 -66.9 -39.0 41.0 56.1 3.8 45 79 A K H X S+ 0 0 135 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.903 110.3 52.3 -63.2 -42.6 39.2 55.7 0.4 46 80 A L H X S+ 0 0 4 -4,-2.2 4,-3.0 2,-0.2 -2,-0.2 0.864 107.4 53.2 -59.6 -36.9 38.4 52.1 1.3 47 81 A G H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.898 110.3 46.7 -63.5 -43.8 36.9 53.3 4.6 48 82 A E H X S+ 0 0 112 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.902 111.3 51.1 -65.6 -42.3 34.7 55.7 2.7 49 83 A D H X S+ 0 0 48 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.946 108.6 53.6 -59.0 -46.4 33.7 53.0 0.2 50 84 A A H <>S+ 0 0 0 -4,-3.0 5,-3.4 1,-0.2 -2,-0.2 0.898 108.5 47.9 -54.6 -47.5 32.8 50.8 3.2 51 85 A R H ><5S+ 0 0 105 -4,-2.1 3,-1.4 1,-0.2 -1,-0.2 0.919 111.1 50.0 -61.0 -42.3 30.5 53.4 4.7 52 86 A S H 3<5S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.791 114.3 46.0 -70.1 -25.0 28.7 54.1 1.5 53 87 A Q T 3<5S- 0 0 63 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.194 118.1-111.0 -99.8 13.9 28.2 50.4 1.0 54 88 A H T < 5S+ 0 0 156 -3,-1.4 2,-0.4 1,-0.2 -3,-0.2 0.798 71.6 136.6 57.3 41.0 27.0 49.8 4.7 55 89 A I < - 0 0 8 -5,-3.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.917 68.6 -97.1-113.6 143.4 30.0 47.9 5.7 56 90 A D > - 0 0 69 -2,-0.4 4,-2.2 1,-0.2 3,-0.4 -0.375 33.3-156.9 -53.2 110.7 31.8 48.4 9.0 57 91 A P H > S+ 0 0 23 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.769 89.9 59.1 -66.5 -29.9 34.8 50.7 7.9 58 92 A D H > S+ 0 0 10 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.862 107.7 46.5 -69.4 -35.7 36.9 49.6 10.9 59 93 A Y H > S+ 0 0 2 -3,-0.4 4,-2.7 2,-0.2 5,-0.3 0.924 112.3 49.6 -63.8 -52.9 36.7 46.0 9.6 60 94 A V H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.902 109.1 53.6 -55.8 -40.9 37.5 47.0 6.1 61 95 A T H X S+ 0 0 18 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.935 112.6 41.6 -60.8 -51.4 40.5 49.0 7.2 62 96 A R H X S+ 0 0 25 -4,-1.6 4,-2.1 2,-0.2 -1,-0.2 0.930 116.4 49.2 -62.4 -45.3 42.0 46.2 9.2 63 97 A V H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.923 113.5 45.4 -63.9 -46.9 41.3 43.6 6.5 64 98 A F H X S+ 0 0 0 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.822 107.8 57.2 -70.0 -28.0 42.7 45.7 3.7 65 99 A D H X S+ 0 0 31 -4,-1.9 4,-2.9 -5,-0.3 -2,-0.2 0.908 107.4 49.4 -63.6 -41.9 45.7 46.6 5.7 66 100 A D H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.926 112.4 48.6 -55.9 -48.9 46.4 42.8 6.0 67 101 A Q H X S+ 0 0 0 -4,-2.2 4,-1.8 87,-0.3 -2,-0.2 0.910 112.5 46.5 -60.5 -48.2 45.9 42.5 2.2 68 102 A I H X S+ 0 0 10 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.916 112.5 50.9 -61.5 -44.2 48.3 45.5 1.5 69 103 A R H X S+ 0 0 82 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.908 110.4 49.1 -55.3 -50.9 50.9 44.1 3.9 70 104 A A H X S+ 0 0 2 -4,-2.4 4,-1.7 2,-0.2 -1,-0.2 0.876 110.4 52.2 -51.8 -43.7 50.7 40.7 2.2 71 105 A T H X S+ 0 0 12 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.921 109.2 48.1 -63.9 -47.3 51.1 42.4 -1.2 72 106 A E H X S+ 0 0 26 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.874 106.1 59.0 -58.0 -42.4 54.2 44.3 -0.0 73 107 A A H X S+ 0 0 50 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.889 107.8 45.8 -56.0 -43.2 55.7 41.1 1.3 74 108 A I H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.913 111.9 51.4 -65.7 -44.0 55.4 39.5 -2.2 75 109 A E H X S+ 0 0 9 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.914 109.8 49.9 -61.9 -41.7 56.9 42.7 -3.7 76 110 A Y H X S+ 0 0 70 -4,-3.1 4,-2.0 1,-0.2 -1,-0.2 0.846 107.9 52.8 -60.3 -41.7 59.8 42.6 -1.3 77 111 A S H X S+ 0 0 38 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.878 109.6 49.8 -62.6 -40.0 60.5 38.9 -2.1 78 112 A R H X S+ 0 0 39 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.891 108.9 51.5 -65.5 -42.2 60.6 39.7 -5.8 79 113 A F H X S+ 0 0 33 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.886 108.5 52.1 -60.7 -39.6 63.0 42.6 -5.1 80 114 A S H X S+ 0 0 68 -4,-2.0 4,-1.7 1,-0.2 3,-0.2 0.946 111.0 48.0 -57.7 -49.3 65.2 40.2 -3.2 81 115 A D H X S+ 0 0 71 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.875 112.6 47.4 -58.8 -44.7 65.2 37.7 -6.1 82 116 A W H < S+ 0 0 15 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.727 105.9 57.8 -77.8 -23.0 66.0 40.4 -8.7 83 117 A K H < S+ 0 0 156 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.912 114.0 39.5 -65.4 -43.2 68.8 41.8 -6.6 84 118 A L H < S+ 0 0 146 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.1 0.869 136.3 19.6 -70.8 -36.3 70.4 38.3 -6.7 85 119 A N >< + 0 0 84 -4,-2.3 3,-1.9 -5,-0.2 4,-0.3 -0.611 63.4 173.4-141.8 75.7 69.4 37.8 -10.3 86 120 A P G > S+ 0 0 82 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.744 76.1 69.1 -57.9 -28.8 68.7 41.0 -12.2 87 121 A A G 3 S+ 0 0 95 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.753 93.7 59.3 -60.8 -23.2 68.3 39.1 -15.6 88 122 A S G < S+ 0 0 55 -3,-1.9 -1,-0.2 -7,-0.2 -6,-0.1 0.532 74.4 112.4 -84.8 -7.8 65.1 37.5 -14.3 89 123 A A S < S- 0 0 14 -3,-1.4 -10,-0.0 -4,-0.3 -65,-0.0 -0.508 84.3-106.5 -62.4 124.2 63.3 40.8 -13.7 90 124 A P - 0 0 55 0, 0.0 -62,-0.1 0, 0.0 -1,-0.1 -0.410 29.4-153.2 -56.0 125.5 60.4 40.9 -16.2 91 125 A P S S+ 0 0 102 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.668 82.5 33.9 -81.2 -11.7 61.5 43.4 -18.9 92 126 A E S S+ 0 0 153 3,-0.0 -67,-0.1 -64,-0.0 3,-0.1 -0.458 76.0 175.5-140.3 62.6 58.0 44.5 -20.1 93 127 A P - 0 0 12 0, 0.0 3,-0.1 0, 0.0 -71,-0.0 -0.203 39.6 -91.6 -64.4 159.4 55.6 44.5 -17.3 94 128 A P - 0 0 73 0, 0.0 -69,-0.1 0, 0.0 5,-0.0 -0.338 59.3 -74.8 -65.6 160.1 52.0 45.7 -17.8 95 129 A D >> - 0 0 99 1,-0.1 4,-2.1 -3,-0.1 3,-0.5 -0.244 31.7-133.1 -56.9 136.8 51.2 49.3 -17.0 96 130 A L H 3> S+ 0 0 14 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.893 109.9 57.0 -57.7 -42.1 51.0 50.3 -13.4 97 131 A S H 3> S+ 0 0 76 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.809 105.9 50.0 -60.7 -32.1 47.7 52.1 -14.2 98 132 A A H <> S+ 0 0 52 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.869 110.3 50.1 -70.8 -40.6 46.3 48.8 -15.6 99 133 A S H X S+ 0 0 7 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.938 110.2 50.3 -63.3 -41.1 47.4 47.0 -12.4 100 134 A R H X S+ 0 0 93 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.910 108.7 51.7 -64.4 -42.9 45.7 49.7 -10.4 101 135 A S H X S+ 0 0 76 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.899 109.4 49.9 -56.1 -43.6 42.5 49.4 -12.4 102 136 A A H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.930 111.6 50.6 -58.0 -46.7 42.5 45.6 -11.8 103 137 A I H X S+ 0 0 28 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.891 107.8 51.0 -57.1 -46.0 43.0 46.3 -8.1 104 138 A D H X S+ 0 0 89 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.896 110.1 49.1 -68.0 -36.6 40.2 48.7 -7.9 105 139 A S H X S+ 0 0 50 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.907 113.2 48.8 -66.1 -35.7 37.7 46.3 -9.5 106 140 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.871 105.3 57.2 -71.4 -39.1 39.0 43.5 -7.0 107 141 A N H X S+ 0 0 15 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.922 108.9 47.0 -49.3 -53.0 38.5 45.8 -4.1 108 142 A N H X S+ 0 0 82 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.885 110.1 51.9 -59.5 -42.3 34.9 46.2 -5.1 109 143 A R H X S+ 0 0 119 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.902 112.5 46.4 -57.1 -47.6 34.4 42.5 -5.5 110 144 A M H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.917 112.7 49.0 -63.8 -42.6 35.8 41.9 -2.0 111 145 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.928 109.3 52.1 -65.2 -40.2 33.7 44.6 -0.5 112 146 A S H X S+ 0 0 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167 -3,-0.8 2,-0.3 -4,-0.3 -3,-0.2 0.904 35.0-166.9 52.3 48.4 48.2 26.8 -8.0 143 177 A L < - 0 0 12 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.0 -0.499 8.3-138.8 -75.4 130.4 49.6 29.1 -5.4 144 178 A D > - 0 0 76 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.106 36.8 -83.6 -76.9-179.1 53.2 28.5 -4.4 145 179 A S H > S+ 0 0 81 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.857 127.9 49.3 -55.6 -42.2 54.7 28.6 -0.9 146 180 A L H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 112.4 46.1 -61.8 -53.3 55.1 32.5 -0.9 147 181 A Y H > S+ 0 0 11 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.812 109.5 57.4 -60.2 -34.0 51.6 33.2 -2.1 148 182 A Q H X S+ 0 0 86 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.918 108.6 45.2 -60.1 -44.8 50.3 30.7 0.4 149 183 A R H X S+ 0 0 163 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.923 114.5 49.7 -67.1 -43.6 51.9 32.6 3.3 150 184 A A H X S+ 0 0 4 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.878 107.3 52.1 -59.2 -45.5 50.6 35.8 1.8 151 185 A L H X S+ 0 0 1 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.858 108.9 52.3 -62.0 -37.3 47.1 34.6 1.5 152 186 A T H X S+ 0 0 69 -4,-1.8 4,-0.6 2,-0.2 3,-0.3 0.936 112.0 45.8 -61.4 -45.7 47.2 33.5 5.2 153 187 A T H >< S+ 0 0 45 -4,-2.2 3,-0.9 1,-0.2 -2,-0.2 0.938 112.1 51.4 -62.2 -43.3 48.3 37.1 6.1 154 188 A A H 3< S+ 0 0 0 -4,-2.8 -87,-0.3 1,-0.2 -1,-0.2 0.763 117.2 37.8 -68.3 -29.6 45.7 38.7 3.9 155 189 A T H >< S+ 0 0 1 -4,-1.4 3,-1.3 -3,-0.3 4,-0.4 0.317 83.3 106.7-102.1 4.7 42.8 36.6 5.4 156 190 A Q T << S+ 0 0 79 -3,-0.9 -1,-0.1 -4,-0.6 -2,-0.1 0.656 84.5 41.2 -66.1 -15.1 43.9 36.6 9.1 157 191 A S T > S+ 0 0 0 -3,-0.2 3,-1.7 -4,-0.2 -1,-0.3 0.468 84.6 98.9-110.0 -4.1 41.3 39.0 10.3 158 192 A Y G X S+ 0 0 0 -3,-1.3 3,-1.1 1,-0.3 -2,-0.1 0.884 82.0 51.0 -49.2 -47.9 38.3 37.8 8.3 159 193 A a G 3 S+ 0 0 40 -4,-0.4 -1,-0.3 1,-0.3 -32,-0.1 0.409 91.5 76.5 -83.0 8.6 36.8 35.8 11.1 160 194 A Q G < + 0 0 42 -3,-1.7 -1,-0.3 -34,-0.1 -2,-0.1 0.217 62.8 129.7 -97.7 12.6 36.9 38.6 13.6 161 195 A A < - 0 0 4 -3,-1.1 -3,-0.0 -40,-0.6 0, 0.0 -0.419 52.3-139.9 -61.2 141.4 33.9 40.2 12.0 162 196 A L - 0 0 73 -2,-0.1 -40,-0.1 57,-0.0 -39,-0.1 -0.860 13.9-109.5-110.1 142.4 31.4 41.0 14.8 163 197 A P - 0 0 87 0, 0.0 2,-0.2 0, 0.0 -44,-0.0 -0.345 44.4-103.3 -60.2 145.3 27.6 40.7 14.6 164 198 A P 0 0 103 0, 0.0 -42,-0.0 0, 0.0 0, 0.0 -0.555 360.0 360.0 -71.1 141.0 25.7 44.0 14.4 165 199 A A 0 0 155 -2,-0.2 0, 0.0 0, 0.0 0, 0.0 0.003 360.0 360.0 73.2 360.0 23.9 45.5 17.3 166 !* 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 0.0 167 35 B G 0 0 112 0, 0.0 2,-0.7 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 42.5 44.5 64.7 7.4 168 36 B T + 0 0 51 1,-0.2 -128,-0.1 4,-0.1 -124,-0.1 -0.885 360.0 161.6 -97.4 105.3 44.7 61.0 8.2 169 37 B S - 0 0 0 -2,-0.7 -1,-0.2 129,-0.1 130,-0.1 0.816 48.9-134.8 -69.9 -33.8 47.2 60.0 10.8 170 38 B Q S S+ 0 0 33 -3,-0.2 4,-0.3 126,-0.0 3,-0.3 -0.278 103.4 62.9 98.7 -37.3 45.1 56.7 11.0 171 39 B L S > S+ 0 0 0 124,-0.2 4,-2.3 1,-0.2 5,-0.3 0.450 74.9 96.4 -93.0 1.5 45.3 57.1 14.8 172 40 B A H > S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.884 82.7 47.9 -58.9 -43.3 43.4 60.4 14.5 173 41 B E H > S+ 0 0 66 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.900 112.8 49.0 -66.6 -40.7 39.9 58.8 15.3 174 42 B L H > S+ 0 0 0 -4,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.949 115.0 43.0 -57.8 -52.2 41.3 56.9 18.3 175 43 B V H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.833 112.3 54.1 -67.4 -34.6 43.0 59.9 19.8 176 44 B D H X S+ 0 0 44 -4,-2.2 4,-2.9 -5,-0.3 -1,-0.2 0.921 109.3 47.8 -66.3 -41.6 40.0 62.1 19.1 177 45 B A H X S+ 0 0 3 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.905 111.8 51.6 -61.4 -39.3 37.8 59.6 21.0 178 46 B A H X S+ 0 0 0 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.915 111.5 45.7 -64.6 -44.9 40.4 59.7 23.8 179 47 B A H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.912 111.6 52.3 -63.5 -43.9 40.3 63.5 23.9 180 48 B E H X S+ 0 0 81 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.909 108.8 50.8 -60.5 -37.2 36.5 63.5 23.8 181 49 B R H >< S+ 0 0 14 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.870 103.8 58.6 -67.4 -36.4 36.5 61.0 26.7 182 50 B L H >< S+ 0 0 0 -4,-1.7 3,-1.9 1,-0.2 -1,-0.2 0.838 96.1 63.9 -59.6 -37.5 38.9 63.3 28.7 183 51 B E H >< S+ 0 0 63 -4,-1.5 3,-1.2 1,-0.3 -1,-0.2 0.676 83.6 73.1 -66.5 -18.2 36.3 66.1 28.5 184 52 B V T S+ 0 0 0 -3,-1.9 4,-2.8 2,-0.2 -1,-0.2 0.851 85.2 57.6 -58.1 -35.5 36.3 65.0 33.4 186 54 B D H <> S+ 0 0 49 -3,-1.2 4,-2.3 2,-0.2 -1,-0.2 0.970 109.2 38.0 -67.2 -59.0 34.6 68.4 33.6 187 55 B P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.873 118.0 53.3 -62.0 -31.3 31.0 67.3 34.3 188 56 B V H X S+ 0 0 26 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.944 109.3 47.1 -65.2 -47.7 32.2 64.5 36.5 189 57 B A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.914 111.7 51.9 -59.6 -42.1 34.3 66.8 38.6 190 58 B A H X S+ 0 0 2 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.923 110.9 47.5 -58.9 -46.6 31.4 69.1 38.9 191 59 B F H X S+ 0 0 69 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.967 113.8 46.7 -57.6 -52.0 29.1 66.3 40.0 192 60 B K H X>S+ 0 0 40 -4,-2.9 5,-2.4 1,-0.2 4,-1.1 0.869 111.0 52.8 -60.1 -42.3 31.7 65.1 42.6 193 61 B W H ><5S+ 0 0 62 -4,-2.6 3,-0.5 -5,-0.2 -1,-0.2 0.947 113.1 43.8 -57.6 -47.9 32.3 68.7 43.9 194 62 B R H 3<5S+ 0 0 144 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.845 119.7 41.4 -69.0 -30.0 28.6 69.1 44.4 195 63 B A H 3<5S- 0 0 47 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.473 106.4-123.5 -97.5 -2.6 28.1 65.7 46.0 196 64 B Q T <<5 + 0 0 142 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.957 57.1 158.8 57.1 49.2 31.3 65.9 48.1 197 65 B L < - 0 0 71 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.775 45.3-102.8-101.4 146.0 32.5 62.7 46.5 198 66 B P - 0 0 42 0, 0.0 -1,-0.0 0, 0.0 -5,-0.0 -0.471 18.5-135.0 -58.6 140.3 36.1 61.5 46.2 199 67 B I S S+ 0 0 3 -2,-0.2 2,-0.5 1,-0.1 42,-0.1 0.877 93.7 47.6 -61.2 -40.1 37.9 61.9 42.9 200 68 B E + 0 0 65 301,-2.2 2,-0.5 38,-0.0 -1,-0.1 -0.929 58.7 176.6-109.2 126.2 39.3 58.3 43.1 201 69 B D > - 0 0 80 -2,-0.5 4,-2.4 1,-0.1 5,-0.2 -0.965 13.9-162.1-123.1 110.5 37.1 55.3 44.0 202 70 B S H > S+ 0 0 85 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.893 89.3 53.5 -64.8 -41.1 39.3 52.2 43.8 203 71 B G H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.893 110.2 47.2 -52.7 -48.3 36.3 49.8 43.7 204 72 B R H > S+ 0 0 115 2,-0.2 4,-2.9 1,-0.2 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0.914 113.2 49.8 -67.9 -40.3 36.0 41.4 29.1 215 83 B D H X S+ 0 0 21 -4,-2.6 4,-1.3 2,-0.2 -2,-0.2 0.914 110.1 50.9 -58.4 -47.7 35.0 43.8 26.3 216 84 B A H ><>S+ 0 0 0 -4,-3.2 5,-2.3 2,-0.2 3,-0.6 0.953 109.8 51.6 -50.4 -49.7 38.5 43.7 24.9 217 85 B R H ><5S+ 0 0 173 -4,-2.4 3,-1.2 1,-0.3 -2,-0.2 0.894 111.2 44.9 -55.9 -46.0 38.3 39.8 25.0 218 86 B S H 3<5S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.657 112.9 52.8 -77.4 -13.8 35.0 39.7 23.1 219 87 B Q T <<5S- 0 0 29 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.178 118.0-112.0-102.3 17.3 36.3 42.2 20.6 220 88 B H T < 5S+ 0 0 91 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.850 72.9 131.8 55.2 45.1 39.5 40.1 20.0 221 89 B I S - 0 0 83 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 -0.278 33.8-151.8 -51.4 114.6 44.7 41.8 24.1 223 91 B P H > S+ 0 0 26 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.844 91.3 55.0 -67.9 -30.1 43.0 42.5 27.5 224 92 B D H > S+ 0 0 117 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.875 108.8 49.7 -72.5 -32.4 46.2 43.4 29.4 225 93 B Y H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.935 111.8 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