==== 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 TRANSFERASE 27-OCT-97 1SHK . COMPND 2 MOLECULE: SHIKIMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ERWINIA CHRYSANTHEMI; . AUTHOR T.KRELL,J.R.COGGINS,A.J.LAPTHORN . 317 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 238 75.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 12.0 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 . 17 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 46.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 0 0 2 0 0 2 2 1 3 0 0 0 0 0 1 1 0 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 6 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 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 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 1 A M 0 0 174 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 171.5 59.9 28.1 12.8 2 2 A T + 0 0 66 70,-0.0 70,-2.9 154,-0.0 71,-0.3 0.086 360.0 140.5-111.3 28.5 57.8 30.9 11.4 3 3 A E - 0 0 60 68,-0.2 92,-0.2 1,-0.1 70,-0.1 -0.305 66.3 -86.1 -63.4 152.5 58.7 31.1 7.7 4 4 A P - 0 0 6 0, 0.0 92,-2.6 0, 0.0 2,-0.6 -0.308 38.3-138.7 -60.6 143.3 55.6 31.8 5.5 5 5 A I E -ab 74 96A 1 68,-2.0 70,-3.3 90,-0.2 2,-0.5 -0.949 13.5-156.2-109.1 118.7 53.7 28.7 4.4 6 6 A F E -ab 75 97A 0 90,-2.5 92,-2.9 -2,-0.6 2,-0.5 -0.856 2.9-152.5 -94.8 127.0 52.6 28.8 0.7 7 7 A M E +ab 76 98A 0 68,-3.1 70,-1.6 -2,-0.5 2,-0.3 -0.870 21.8 178.5-100.8 122.7 49.6 26.6 -0.2 8 8 A V E + b 0 99A 0 90,-3.0 92,-3.0 -2,-0.5 2,-0.3 -0.903 18.7 101.9-123.4 160.3 49.7 25.5 -3.9 9 9 A G - 0 0 0 -2,-0.3 72,-0.2 69,-0.3 2,-0.2 -0.924 62.7 -59.1 148.8 171.8 47.5 23.4 -6.0 10 10 A A > - 0 0 2 90,-0.4 3,-2.1 -2,-0.3 5,-0.3 -0.531 66.8 -75.0 -81.4 162.7 44.8 23.5 -8.7 11 11 A R T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.2 67,-0.0 -0.171 122.3 30.9 -55.8 133.8 41.3 25.2 -8.5 12 12 A G T 3 S+ 0 0 30 -3,-0.1 -1,-0.3 97,-0.1 98,-0.1 0.393 84.0 109.3 93.6 -3.8 39.2 22.9 -6.3 13 13 A C S < S- 0 0 1 -3,-2.1 -2,-0.1 89,-0.0 -5,-0.0 0.593 90.5-111.5 -85.1 -4.0 41.9 21.6 -4.1 14 14 A G > + 0 0 20 -4,-0.2 4,-3.2 3,-0.1 5,-0.4 0.640 62.8 151.2 89.0 21.5 40.7 23.6 -1.0 15 15 A K H > S+ 0 0 19 -5,-0.3 4,-2.4 1,-0.2 5,-0.1 0.805 71.6 44.1 -50.3 -54.0 43.6 26.1 -0.8 16 16 A T H > S+ 0 0 39 2,-0.2 4,-2.6 3,-0.2 -1,-0.2 0.931 118.9 43.5 -60.9 -47.5 41.7 29.0 0.8 17 17 A T H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 119.3 40.8 -67.3 -45.9 39.8 26.8 3.3 18 18 A V H X S+ 0 0 3 -4,-3.2 4,-2.7 2,-0.2 5,-0.2 0.910 115.1 53.6 -68.9 -44.7 42.8 24.6 4.3 19 19 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.4 -2,-0.2 0.914 110.6 46.5 -49.9 -54.2 45.0 27.7 4.3 20 20 A R H X S+ 0 0 98 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.940 114.6 45.7 -58.3 -47.7 42.6 29.6 6.7 21 21 A E H X S+ 0 0 35 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.853 112.7 50.5 -68.7 -34.2 42.2 26.6 9.0 22 22 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 6,-0.2 0.954 110.0 50.6 -65.9 -45.3 46.0 25.9 9.1 23 23 A A H X>S+ 0 0 4 -4,-2.5 5,-3.0 -5,-0.2 4,-1.0 0.931 110.5 49.9 -57.6 -43.7 46.6 29.6 9.9 24 24 A R H ><5S+ 0 0 113 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.914 110.8 49.2 -64.0 -45.1 44.1 29.5 12.7 25 25 A A H 3<5S+ 0 0 10 -4,-2.2 134,-2.9 1,-0.3 -1,-0.2 0.814 117.4 40.0 -61.6 -39.7 45.7 26.3 14.2 26 26 A L H 3<5S- 0 0 10 -4,-2.2 -1,-0.3 132,-0.3 -2,-0.2 0.562 110.5-118.5 -85.1 -10.3 49.2 27.8 14.1 27 27 A G T <<5 + 0 0 51 -4,-1.0 -3,-0.2 -3,-0.7 2,-0.2 0.839 68.1 141.0 73.7 26.0 48.1 31.3 15.2 28 28 A Y < - 0 0 33 -5,-3.0 45,-0.3 -6,-0.2 -1,-0.2 -0.600 57.3-103.3 -95.5 166.2 49.3 32.7 11.9 29 29 A E E -c 73 0A 103 43,-2.8 45,-2.5 -2,-0.2 2,-0.4 -0.419 35.3-144.8 -73.2 167.9 47.9 35.4 9.6 30 30 A F E +c 74 0A 51 43,-0.2 2,-0.3 -2,-0.1 45,-0.2 -0.999 22.6 168.0-144.0 131.7 46.2 34.2 6.5 31 31 A V E -c 75 0A 31 43,-2.1 45,-2.9 -2,-0.4 2,-0.5 -0.994 21.0-152.5-142.5 143.6 46.1 35.9 3.0 32 32 A D E > -c 76 0A 10 -2,-0.3 4,-2.8 43,-0.2 45,-0.2 -0.991 14.5-144.8-118.2 120.2 44.9 34.5 -0.3 33 33 A T H > S+ 0 0 0 43,-2.9 4,-2.2 -2,-0.5 44,-0.1 0.855 99.1 50.8 -57.8 -37.3 46.7 36.1 -3.3 34 34 A D H > S+ 0 0 67 42,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.928 112.9 44.6 -66.4 -47.0 43.6 36.1 -5.5 35 35 A I H > S+ 0 0 80 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.938 111.7 54.4 -65.9 -37.2 41.4 37.7 -2.8 36 36 A F H X S+ 0 0 67 -4,-2.8 4,-1.3 1,-0.2 5,-0.4 0.922 108.2 49.3 -60.6 -46.9 44.1 40.2 -2.1 37 37 A M H X S+ 0 0 18 -4,-2.2 4,-2.3 -5,-0.2 6,-0.5 0.931 111.3 49.5 -58.6 -49.2 44.3 41.2 -5.8 38 38 A Q H X S+ 0 0 60 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.906 116.1 40.0 -56.4 -45.2 40.5 41.6 -6.0 39 39 A H H < S+ 0 0 148 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.524 119.5 43.9 -92.5 -4.3 40.1 43.8 -2.9 40 40 A T H < S+ 0 0 94 -4,-1.3 -2,-0.2 -3,-0.4 -3,-0.2 0.808 127.7 27.9-101.1 -40.5 43.2 46.0 -3.4 41 41 A S H < S- 0 0 43 -4,-2.3 -2,-0.2 -5,-0.4 -3,-0.2 0.732 93.6-135.7 -89.9 -27.5 42.7 46.6 -7.2 42 42 A G < + 0 0 52 -4,-1.7 2,-0.4 -5,-0.4 -4,-0.2 0.386 67.8 116.1 81.8 2.2 38.9 46.3 -7.3 43 43 A M - 0 0 63 -6,-0.5 -1,-0.2 4,-0.0 -2,-0.2 -0.819 59.9-137.0-111.6 137.8 39.3 44.1 -10.4 44 44 A T > - 0 0 53 -2,-0.4 4,-2.4 -3,-0.1 5,-0.2 -0.299 36.0-103.0 -77.7 172.8 38.4 40.5 -11.1 45 45 A V H > S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.964 126.1 53.3 -66.6 -37.6 40.8 38.2 -13.0 46 46 A A H > S+ 0 0 67 1,-0.3 4,-3.1 2,-0.2 -1,-0.2 0.896 108.4 49.7 -61.1 -42.4 38.5 38.6 -16.0 47 47 A D H > S+ 0 0 82 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.897 113.3 45.6 -59.1 -48.1 38.8 42.4 -15.7 48 48 A V H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 5,-0.3 0.947 115.3 47.0 -62.8 -46.2 42.6 42.2 -15.5 49 49 A V H X S+ 0 0 35 -4,-3.0 4,-2.7 1,-0.2 3,-0.2 0.932 110.0 53.1 -62.4 -44.8 42.8 39.8 -18.4 50 50 A A H < S+ 0 0 90 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.875 119.5 35.2 -60.9 -37.1 40.4 41.9 -20.5 51 51 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.661 140.4 6.5 -86.6 -29.7 42.6 45.0 -20.0 52 52 A E H X S- 0 0 76 -4,-2.0 4,-1.0 -3,-0.2 -3,-0.2 0.345 98.0-125.4-138.6 1.4 46.1 43.6 -19.9 53 53 A G H >X - 0 0 24 -4,-2.7 4,-2.2 -5,-0.3 3,-0.6 0.282 45.2 -56.5 73.1 175.2 45.9 40.0 -20.8 54 54 A W H 3> S+ 0 0 134 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.898 136.3 57.5 -55.5 -39.9 47.1 36.8 -19.0 55 55 A P H 3> S+ 0 0 86 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.890 107.0 47.7 -60.0 -40.0 50.6 38.2 -19.1 56 56 A G H - 0 0 1 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.298 41.0 -99.4 -72.7 161.4 45.9 30.8 -7.2 79 79 A G T 3 S+ 0 0 13 1,-0.3 3,-0.5 2,-0.1 -70,-0.1 0.761 120.6 46.1 -49.8 -33.8 46.1 27.8 -9.4 80 80 A G T > S+ 0 0 4 1,-0.2 3,-1.4 2,-0.1 4,-0.4 0.205 77.6 101.2 -99.4 8.5 48.5 29.4 -11.9 81 81 A M G X S+ 0 0 0 -3,-2.1 3,-0.5 1,-0.3 -1,-0.2 0.823 79.9 57.7 -61.5 -30.0 50.9 30.8 -9.4 82 82 A V G 3 S+ 0 0 1 -3,-0.5 -1,-0.3 -4,-0.3 6,-0.1 0.499 83.5 85.3 -80.3 -5.1 53.3 27.9 -10.1 83 83 A L G < S+ 0 0 47 -3,-1.4 2,-0.4 4,-0.1 -1,-0.2 0.871 79.0 66.1 -63.7 -42.9 53.5 28.7 -13.8 84 84 A L S X> S- 0 0 62 -3,-0.5 4,-1.6 -4,-0.4 3,-0.9 -0.691 75.2-143.2 -86.6 133.8 56.3 31.3 -13.5 85 85 A E H 3> S+ 0 0 141 -2,-0.4 4,-2.3 1,-0.3 5,-0.2 0.867 100.1 58.7 -61.3 -41.3 59.7 30.0 -12.4 86 86 A Q H 3> S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.832 105.2 52.1 -60.7 -28.4 60.4 33.2 -10.4 87 87 A N H <> S+ 0 0 0 -3,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.858 108.8 49.7 -72.5 -40.7 57.2 32.5 -8.4 88 88 A R H X S+ 0 0 47 -4,-1.6 4,-1.9 2,-0.2 5,-0.2 0.911 114.2 44.6 -63.3 -39.6 58.4 28.9 -7.7 89 89 A Q H X S+ 0 0 135 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.926 110.3 55.2 -68.7 -42.5 61.8 30.1 -6.5 90 90 A F H X S+ 0 0 34 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.912 109.5 46.8 -57.6 -49.4 60.3 32.9 -4.5 91 91 A M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.915 113.5 45.5 -64.3 -44.6 58.1 30.5 -2.5 92 92 A R H < S+ 0 0 104 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.888 118.0 46.1 -69.4 -30.6 60.8 27.9 -1.8 93 93 A A H < S+ 0 0 71 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.998 117.2 39.4 -66.7 -64.9 63.2 30.6 -0.8 94 94 A H H < S- 0 0 98 -4,-2.8 2,-0.2 -5,-0.2 -2,-0.2 0.765 129.3 -33.2 -62.4 -30.0 60.9 32.7 1.4 95 95 A G S < S- 0 0 6 -4,-2.2 2,-0.4 -5,-0.3 -90,-0.2 -0.586 78.1 -52.9-155.8-141.4 59.2 29.9 3.1 96 96 A T E -b 5 0A 19 -92,-2.6 -90,-2.5 -2,-0.2 2,-0.5 -0.959 42.4-142.1-128.3 134.2 57.8 26.3 2.9 97 97 A V E -b 6 0A 0 -2,-0.4 37,-2.8 35,-0.2 38,-2.1 -0.916 11.0-168.9-109.0 136.7 55.5 25.0 0.2 98 98 A V E -bd 7 135A 0 -92,-2.9 -90,-3.0 -2,-0.5 2,-0.6 -0.948 9.3-154.1-123.8 126.2 52.6 22.6 0.6 99 99 A Y E -bd 8 136A 2 36,-2.6 38,-2.3 -2,-0.5 2,-1.0 -0.878 7.5-149.6 -98.7 121.2 50.8 21.1 -2.4 100 100 A L E - d 0 137A 1 -92,-3.0 2,-0.4 -2,-0.6 -90,-0.4 -0.827 26.1-159.7 -92.6 102.5 47.2 20.1 -1.8 101 101 A F E + d 0 138A 66 36,-2.4 38,-2.7 -2,-1.0 39,-0.4 -0.766 23.6 156.1 -91.1 134.1 47.0 17.2 -4.3 102 102 A A - 0 0 1 -2,-0.4 -92,-0.1 36,-0.2 -89,-0.0 -0.979 43.2-107.9-148.8 140.8 43.8 15.7 -5.7 103 103 A P > - 0 0 52 0, 0.0 4,-2.9 0, 0.0 3,-0.2 -0.223 38.6-107.9 -61.2 151.0 43.1 13.7 -8.9 104 104 A A H > S+ 0 0 12 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.886 117.4 61.6 -50.2 -40.9 41.3 15.6 -11.5 105 105 A E H > S+ 0 0 143 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.946 110.2 39.7 -51.6 -57.1 38.1 13.6 -10.9 106 106 A E H > S+ 0 0 68 2,-0.2 4,-2.1 -3,-0.2 -2,-0.2 0.928 113.7 53.8 -66.2 -39.6 37.9 14.8 -7.4 107 107 A L H < S+ 0 0 5 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.951 111.8 46.1 -56.0 -49.8 38.9 18.4 -8.3 108 108 A A H < S+ 0 0 9 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.937 107.2 58.7 -56.9 -47.7 36.1 18.4 -10.9 109 109 A L H < S+ 0 0 114 -4,-2.8 2,-0.5 -5,-0.3 -1,-0.2 0.887 86.7 85.6 -47.1 -51.8 33.7 17.0 -8.3 110 110 A R < + 0 0 98 -4,-2.1 2,-0.1 -98,-0.1 -96,-0.1 -0.407 50.0 148.5 -62.6 108.8 34.3 19.9 -5.9 111 111 A L 0 0 136 -2,-0.5 -1,-0.1 -99,-0.0 -3,-0.1 -0.552 360.0 360.0-144.7 71.5 31.8 22.6 -7.1 112 112 A Q 0 0 160 -2,-0.1 0, 0.0 0, 0.0 0, 0.0 0.550 360.0 360.0 -81.5 360.0 30.6 24.8 -4.3 113 ! 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 0.0 114 128 A I > 0 0 126 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -35.1 35.2 20.4 -16.0 115 129 A A H > + 0 0 52 2,-0.2 4,-1.3 1,-0.2 -7,-0.1 0.913 360.0 36.8 -70.1 -40.5 36.4 16.9 -15.4 116 130 A E H > S+ 0 0 65 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.702 113.3 57.6 -84.6 -21.6 38.5 17.0 -18.6 117 131 A E H > S+ 0 0 97 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.870 109.9 44.5 -77.9 -32.1 39.5 20.6 -18.1 118 132 A M H X S+ 0 0 3 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.868 109.7 57.0 -77.7 -30.5 41.0 19.8 -14.7 119 133 A E H X S+ 0 0 117 -4,-1.3 4,-1.9 1,-0.2 -2,-0.2 0.897 110.8 43.7 -60.4 -41.6 42.6 16.7 -16.3 120 134 A A H X S+ 0 0 30 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.802 109.3 56.2 -75.2 -32.2 44.3 19.1 -18.7 121 135 A V H X S+ 0 0 7 -4,-1.6 4,-2.2 2,-0.2 5,-0.2 0.966 110.3 46.4 -63.7 -45.4 45.1 21.6 -15.9 122 136 A L H X S+ 0 0 20 -4,-2.6 4,-2.9 1,-0.3 5,-0.4 0.866 106.9 56.3 -68.0 -33.6 47.0 18.7 -14.2 123 137 A R H < S+ 0 0 182 -4,-1.9 -1,-0.3 1,-0.2 4,-0.2 0.883 116.5 38.3 -64.5 -37.3 48.8 17.6 -17.4 124 138 A E H < S+ 0 0 112 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.795 133.6 20.4 -75.4 -38.9 50.1 21.2 -17.6 125 139 A R H >X S+ 0 0 30 -4,-2.2 4,-2.5 -5,-0.1 3,-0.5 0.631 90.5 91.2-116.1 -15.6 50.7 21.8 -13.9 126 140 A E H 3X S+ 0 0 50 -4,-2.9 4,-2.5 1,-0.3 5,-0.2 0.911 95.0 47.5 -48.5 -48.5 51.0 18.6 -11.8 127 141 A A H 3> S+ 0 0 62 -5,-0.4 4,-2.4 1,-0.2 -1,-0.3 0.826 111.6 51.8 -65.9 -33.2 54.8 18.5 -12.3 128 142 A L H <> S+ 0 0 38 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.873 108.3 50.1 -70.4 -39.8 55.1 22.2 -11.4 129 143 A Y H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.924 114.9 44.5 -61.2 -46.1 53.1 21.7 -8.2 130 144 A Q H < S+ 0 0 83 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.929 111.1 54.4 -65.0 -42.3 55.4 18.8 -7.3 131 145 A D H < S+ 0 0 105 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.908 115.6 37.7 -55.6 -46.2 58.5 20.8 -8.3 132 146 A V H < S+ 0 0 1 -4,-2.2 -1,-0.2 -5,-0.1 -35,-0.2 0.776 98.4 97.2 -81.9 -23.8 57.7 23.7 -6.0 133 147 A A < - 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h 0 299B 2 -92,-2.5 2,-0.4 -2,-0.6 -90,-0.3 -0.813 24.9-160.0 -84.9 93.4 40.0 17.9 29.6 261 101 B F E + h 0 300B 64 38,-2.3 40,-3.0 -2,-1.1 41,-0.4 -0.637 23.9 153.6 -84.5 136.1 42.6 16.9 32.1 262 102 B A - 0 0 2 -2,-0.4 -92,-0.1 39,-0.2 -89,-0.1 -0.986 44.3-103.7-154.5 144.8 45.3 19.2 33.5 263 103 B P > - 0 0 60 0, 0.0 4,-2.7 0, 0.0 3,-0.2 -0.299 35.0-111.5 -64.9 153.9 47.2 19.2 36.8 264 104 B A H > S+ 0 0 16 1,-0.2 4,-4.3 2,-0.2 5,-0.2 0.913 116.7 57.7 -54.1 -44.0 46.1 21.7 39.5 265 105 B E H > S+ 0 0 159 1,-0.2 4,-3.4 2,-0.2 -1,-0.2 0.935 109.8 44.0 -53.2 -48.5 49.3 23.7 39.1 266 106 B E H > S+ 0 0 68 2,-0.2 4,-2.0 -3,-0.2 -1,-0.2 0.896 114.1 49.3 -68.0 -38.5 48.6 24.2 35.4 267 107 B L H < S+ 0 0 6 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.955 112.7 49.1 -63.7 -46.2 45.0 25.1 36.1 268 108 B A H < S+ 0 0 6 -4,-4.3 -2,-0.2 1,-0.2 -1,-0.2 0.953 104.0 59.3 -57.1 -49.3 46.2 27.5 38.8 269 109 B L H >< S+ 0 0 62 -4,-3.4 2,-1.4 -5,-0.2 3,-0.5 0.885 91.9 73.8 -47.8 -47.9 48.7 29.0 36.4 270 110 B R T 3< + 0 0 95 -4,-2.0 -1,-0.1 1,-0.2 -97,-0.0 -0.473 55.9 121.3 -70.7 96.0 45.8 30.0 34.1 271 111 B L T 3 0 0 133 -2,-1.4 -1,-0.2 -99,-0.0 -2,-0.1 0.518 360.0 360.0-124.8 -27.0 44.4 32.9 36.2 272 112 B Q < 0 0 140 -3,-0.5 -2,-0.1 0, 0.0 -3,-0.0 0.882 360.0 360.0 -64.4 360.0 44.8 35.5 33.5 273 ! 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 0.0 274 126 B R 0 0 130 0, 0.0 2,-0.1 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -54.3 43.0 30.7 49.8 275 127 B P > - 0 0 86 0, 0.0 4,-1.6 0, 0.0 3,-0.4 -0.382 360.0-122.5 -64.1 143.2 45.8 30.7 47.2 276 128 B I H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.839 108.1 55.4 -60.7 -33.5 44.5 29.6 43.7 277 129 B A H > S+ 0 0 47 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.889 109.6 45.8 -67.3 -40.2 46.9 26.7 43.4 278 130 B E H > S+ 0 0 47 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.807 112.0 51.9 -72.9 -31.9 45.8 25.1 46.7 279 131 B E H X S+ 0 0 77 -4,-1.6 4,-2.8 2,-0.2 3,-0.2 0.968 112.1 45.3 -67.4 -51.1 42.1 25.6 45.9 280 132 B M H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.906 111.2 53.7 -62.3 -38.3 42.5 23.9 42.5 281 133 B E H X S+ 0 0 117 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.897 111.2 45.7 -62.3 -41.6 44.6 21.1 44.1 282 134 B A H X S+ 0 0 33 -4,-1.6 4,-1.8 -3,-0.2 5,-0.2 0.942 112.4 50.9 -66.5 -48.8 41.8 20.5 46.6 283 135 B V H X S+ 0 0 20 -4,-2.8 4,-2.7 2,-0.2 3,-0.4 0.969 115.1 42.0 -54.0 -53.2 39.1 20.6 43.9 284 136 B L H X S+ 0 0 14 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.918 107.3 61.5 -64.5 -39.5 40.9 18.1 41.6 285 137 B R H < S+ 0 0 156 -4,-2.3 4,-0.3 -5,-0.3 -1,-0.2 0.925 117.5 30.1 -53.1 -43.7 41.8 15.9 44.5 286 138 B E H < S+ 0 0 125 -4,-1.8 4,-0.3 -3,-0.4 -2,-0.2 0.779 125.8 40.8 -89.0 -29.3 38.1 15.3 45.2 287 139 B R H >X S+ 0 0 64 -4,-2.7 4,-2.3 -5,-0.2 3,-0.5 0.619 86.8 89.0 -98.6 -9.0 36.5 15.7 41.8 288 140 B E H 3X S+ 0 0 48 -4,-2.3 4,-2.6 -5,-0.3 5,-0.2 0.904 88.7 52.8 -53.8 -49.1 39.1 13.8 39.6 289 141 B A H 3> S+ 0 0 57 -4,-0.3 4,-2.1 -5,-0.2 -1,-0.3 0.847 109.1 50.9 -56.7 -32.8 37.2 10.5 40.2 290 142 B L H <> S+ 0 0 37 -3,-0.5 4,-2.0 -4,-0.3 -2,-0.2 0.898 108.6 49.5 -71.5 -45.8 34.0 12.2 39.0 291 143 B Y H X S+ 0 0 1 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.908 114.5 46.3 -57.5 -48.2 35.6 13.5 35.8 292 144 B Q H < S+ 0 0 85 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.869 109.6 54.2 -63.8 -40.4 37.0 10.0 35.1 293 145 B D H < S+ 0 0 100 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.893 115.8 37.6 -60.9 -40.4 33.7 8.3 35.9 294 146 B V H < S+ 0 0 2 -4,-2.0 2,-0.2 -5,-0.1 -1,-0.2 0.732 98.6 95.0 -80.6 -31.1 31.7 10.5 33.5 295 147 B A < - 0 0 12 -4,-1.9 -37,-0.2 -5,-0.2 3,-0.1 -0.467 44.3-175.1 -69.2 138.6 34.3 10.6 30.7 296 148 B H S S+ 0 0 76 -39,-2.6 2,-0.4 1,-0.3 -38,-0.2 0.757 85.1 25.0 -87.6 -35.6 34.4 8.3 27.8 297 149 B Y E -h 258 0B 81 -40,-2.3 -38,-2.7 2,-0.0 2,-0.4 -0.982 68.1-159.2-128.7 147.4 37.7 9.9 26.7 298 150 B V E -h 259 0B 62 -2,-0.4 2,-0.4 -40,-0.2 -38,-0.2 -0.968 14.2-177.2-126.0 136.0 40.4 11.8 28.6 299 151 B V E -h 260 0B 4 -40,-2.4 -38,-2.3 -2,-0.4 2,-0.9 -0.995 35.3-104.9-137.0 148.4 42.9 14.1 27.0 300 152 B D E > -h 261 0B 69 -2,-0.4 3,-1.0 -40,-0.2 -38,-0.2 -0.497 30.8-169.8 -75.0 109.7 45.8 16.2 28.1 301 153 B A T 3 S+ 0 0 1 -40,-3.0 -39,-0.2 -2,-0.9 -1,-0.2 0.432 71.5 80.6 -89.1 4.5 44.5 19.7 28.2 302 154 B T T 3 S+ 0 0 59 -41,-0.4 -1,-0.2 2,-0.1 -40,-0.1 0.594 76.3 92.6 -86.6 -6.5 47.9 21.4 28.7 303 155 B Q S < S- 0 0 55 -3,-1.0 5,-0.1 1,-0.1 0, 0.0 -0.424 96.3 -86.4 -74.2 160.7 48.5 21.0 24.9 304 156 B P >> - 0 0 49 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.292 44.3-104.8 -65.4 151.8 47.4 23.9 22.7 305 157 B P H 3> S+ 0 0 38 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.880 119.3 51.0 -47.0 -49.1 43.8 23.9 21.6 306 158 B A H 3> S+ 0 0 17 1,-0.2 4,-2.0 -281,-0.2 5,-0.1 0.819 109.0 50.7 -64.8 -32.6 44.5 22.7 18.0 307 159 B A H <> S+ 0 0 27 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.821 109.6 51.6 -71.6 -35.5 46.7 19.8 19.2 308 160 B I H X S+ 0 0 2 -4,-2.0 4,-3.1 2,-0.2 5,-0.2 0.946 109.8 49.6 -63.4 -45.8 43.9 18.7 21.6 309 161 B V H X S+ 0 0 9 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.925 110.4 50.2 -59.5 -44.9 41.4 18.8 18.7 310 162 B a H X S+ 0 0 26 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.932 113.4 45.7 -60.5 -45.0 43.8 16.7 16.5 311 163 B E H X S+ 0 0 70 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.935 113.1 49.3 -62.3 -46.6 44.2 14.1 19.2 312 164 B L H X S+ 0 0 1 -4,-3.1 4,-3.1 1,-0.2 5,-0.3 0.928 107.8 53.8 -60.9 -43.6 40.5 14.0 20.0 313 165 B M H X>S+ 0 0 15 -4,-2.8 5,-2.9 -5,-0.2 4,-0.7 0.887 113.0 45.3 -58.1 -38.3 39.6 13.6 16.3 314 166 B Q H <5S+ 0 0 151 -4,-1.7 3,-0.4 -5,-0.2 -2,-0.2 0.974 118.9 37.3 -68.0 -55.4 41.9 10.6 16.2 315 167 B T H <5S+ 0 0 66 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.915 122.4 44.5 -70.1 -34.8 41.0 8.8 19.4 316 168 B M H <5S- 0 0 17 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.610 109.7-125.2 -79.6 -13.1 37.3 9.6 19.0 317 169 B R T <5 - 0 0 198 -4,-0.7 -3,-0.2 -3,-0.4 -4,-0.1 0.944 44.0-149.1 59.6 61.7 37.4 8.7 15.3 318 170 B L < - 0 0 22 -5,-2.9 -1,-0.2 -6,-0.2 -2,-0.1 -0.867 55.9 -0.8-120.6 151.1 36.0 11.9 14.0 319 171 B P 0 0 54 0, 0.0 -1,-0.2 0, 0.0 -133,-0.0 -0.987 360.0 360.0 -83.7 -15.7 34.4 13.0 11.7 320 172 B A 0 0 95 -7,-0.1 0, 0.0 0, 0.0 0, 0.0 0.757 360.0 360.0 26.0 360.0 34.2 9.5 10.4