==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 23-APR-08 2VSH . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR S.BAUR,J.MARLES-WRIGHT,S.BUCKENMAIER,R.J.LEWIS,W.VOLLMER . 445 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19695.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 329 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 37 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 130 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 2 0 2 4 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 5 2 1 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 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 0 A H 0 0 129 0, 0.0 2,-0.3 0, 0.0 96,-0.1 0.000 360.0 360.0 360.0 165.2 -0.9 -34.8 -12.1 2 1 A M - 0 0 50 92,-0.1 96,-2.7 35,-0.0 2,-0.4 -0.674 360.0-156.5 -94.1 151.7 -0.6 -31.0 -11.7 3 2 A I E -a 98 0A 16 33,-0.4 35,-3.5 -2,-0.3 36,-0.4 -0.997 16.5-175.9-125.3 125.3 -0.9 -29.0 -8.5 4 3 A Y E -a 99 0A 0 94,-2.5 96,-3.3 -2,-0.4 2,-0.5 -0.841 23.9-129.5-115.1 152.7 -1.8 -25.3 -8.7 5 4 A A E -ab 100 40A 0 34,-2.2 36,-3.3 -2,-0.3 2,-0.5 -0.894 17.8-160.2 -95.6 137.4 -2.1 -22.6 -6.2 6 5 A G E -ab 101 41A 0 94,-2.9 96,-2.4 -2,-0.5 2,-0.6 -0.888 7.2-164.0-118.4 97.1 -5.4 -20.6 -6.5 7 6 A I E -ab 102 42A 0 34,-2.7 36,-3.0 -2,-0.5 2,-0.9 -0.728 9.4-147.7 -91.4 117.6 -5.0 -17.2 -4.7 8 7 A L E +ab 103 43A 14 94,-2.7 96,-2.9 -2,-0.6 97,-0.3 -0.749 37.2 149.2 -91.3 105.0 -8.3 -15.5 -4.0 9 8 A A E b 0 44A 2 34,-2.3 36,-0.7 -2,-0.9 -1,-0.1 -0.096 360.0 360.0-132.6 29.8 -7.6 -11.8 -4.2 10 9 A G 0 0 62 34,-0.3 64,-0.1 61,-0.1 34,-0.1 0.304 360.0 360.0-103.7 360.0 -11.0 -10.4 -5.4 11 ! 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 12 21 A P > 0 0 92 0, 0.0 3,-1.9 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 139.2 -9.0 -4.2 -0.3 13 22 A K G > + 0 0 43 1,-0.3 3,-1.8 198,-0.2 10,-0.4 0.699 360.0 75.2 -62.9 -22.1 -6.3 -5.1 2.3 14 23 A Q G 3 S+ 0 0 12 1,-0.3 10,-3.0 9,-0.2 11,-0.3 0.738 94.2 53.2 -62.6 -22.2 -4.3 -7.4 0.0 15 24 A F G < S+ 0 0 27 -3,-1.9 -1,-0.3 8,-0.2 2,-0.2 0.476 90.8 100.3 -91.5 -2.8 -2.9 -4.3 -1.8 16 25 A L S < S- 0 0 80 -3,-1.8 7,-3.0 -4,-0.2 2,-0.2 -0.558 81.3-104.9 -80.8 147.4 -1.8 -2.7 1.4 17 26 A E E -J 22 0B 112 5,-0.3 2,-0.5 -2,-0.2 -1,-0.1 -0.512 27.7-170.8 -74.5 132.6 1.9 -2.9 2.5 18 27 A L E > S-J 21 0B 1 3,-3.1 3,-1.6 -2,-0.2 2,-1.0 -0.991 76.0 -32.1-117.7 119.5 2.9 -5.2 5.3 19 28 A G T 3 S- 0 0 32 -2,-0.5 -2,-0.1 1,-0.2 4,-0.0 -0.653 131.0 -30.6 71.7-103.8 6.5 -4.4 6.3 20 29 A D T 3 S+ 0 0 125 -2,-1.0 -1,-0.2 2,-0.1 -3,-0.1 0.253 128.6 60.0-131.1 12.7 7.8 -3.3 2.9 21 30 A R E < S-J 18 0B 76 -3,-1.6 -3,-3.1 -5,-0.1 5,-0.1 -0.983 89.2 -91.7-142.9 147.4 5.7 -5.4 0.5 22 31 A P E >> -J 17 0B 9 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.255 36.5-117.5 -58.7 145.1 1.9 -5.7 -0.3 23 32 A I H 3> S+ 0 0 0 -7,-3.0 4,-2.0 -10,-0.4 -8,-0.2 0.888 115.8 57.8 -48.7 -44.9 0.1 -8.4 1.6 24 33 A L H 3> S+ 0 0 2 -10,-3.0 4,-2.4 1,-0.2 -1,-0.3 0.865 105.0 51.1 -54.8 -39.8 -0.7 -10.1 -1.7 25 34 A I H <> S+ 0 0 0 -3,-0.9 4,-2.8 -11,-0.3 -1,-0.2 0.909 106.5 52.9 -66.4 -45.1 3.0 -10.4 -2.4 26 35 A H H X S+ 0 0 15 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.893 112.2 47.5 -52.3 -44.8 3.8 -11.9 1.0 27 36 A T H X S+ 0 0 0 -4,-2.0 4,-0.6 77,-0.3 3,-0.4 0.920 111.5 47.2 -68.9 -47.4 1.1 -14.5 0.3 28 37 A I H >X S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 4,-1.4 0.917 106.8 61.2 -59.7 -42.8 2.3 -15.4 -3.3 29 38 A E H 3X S+ 0 0 52 -4,-2.8 4,-0.7 1,-0.3 -1,-0.2 0.831 95.9 59.3 -48.7 -42.9 5.9 -15.6 -1.9 30 39 A K H 3< S+ 0 0 68 -4,-1.2 -1,-0.3 -3,-0.4 4,-0.2 0.717 110.2 43.5 -63.2 -22.7 4.9 -18.5 0.4 31 40 A F H X< S+ 0 0 0 -3,-1.7 3,-0.6 -4,-0.6 -1,-0.2 0.698 97.7 71.7 -95.3 -25.6 3.8 -20.5 -2.7 32 41 A V H 3< S+ 0 0 12 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.1 0.752 95.7 52.7 -62.9 -29.6 6.7 -19.8 -5.0 33 42 A L T 3< S+ 0 0 122 -4,-0.7 -1,-0.2 3,-0.0 -2,-0.1 0.749 80.5 104.0 -79.1 -23.5 9.2 -21.9 -3.1 34 43 A E X - 0 0 9 -3,-0.6 3,-1.5 -4,-0.2 -3,-0.0 -0.440 61.1-156.1 -65.0 110.8 7.0 -25.0 -3.0 35 44 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.2 0, 0.0 -4,-0.0 0.738 86.3 60.1 -63.0 -21.3 8.6 -27.3 -5.7 36 45 A S T 3 S+ 0 0 50 -34,-0.0 2,-0.5 -32,-0.0 -33,-0.4 0.517 81.2 99.2 -88.5 -1.6 5.4 -29.3 -6.3 37 46 A I < - 0 0 5 -3,-1.5 -33,-0.2 -6,-0.2 3,-0.1 -0.733 51.3-168.6 -87.7 124.4 3.3 -26.3 -7.5 38 47 A E - 0 0 63 -35,-3.5 2,-0.3 -2,-0.5 -34,-0.2 0.969 69.6 -5.5 -74.7 -59.4 3.1 -25.9 -11.3 39 48 A K - 0 0 33 -36,-0.4 -34,-2.2 2,-0.0 2,-0.6 -0.962 58.5-133.8-134.7 157.0 1.6 -22.3 -11.5 40 49 A I E -bc 5 67A 0 26,-3.0 28,-2.7 -2,-0.3 2,-0.6 -0.955 26.3-164.4-110.8 110.7 0.3 -19.8 -9.0 41 50 A V E -bc 6 68A 0 -36,-3.3 -34,-2.7 -2,-0.6 2,-0.5 -0.885 1.3-163.0-106.7 119.7 -3.0 -18.5 -10.3 42 51 A V E -bc 7 69A 0 26,-3.3 28,-3.1 -2,-0.6 2,-0.7 -0.913 7.6-151.9-111.1 120.4 -4.3 -15.3 -8.7 43 52 A G E +bc 8 70A 0 -36,-3.0 -34,-2.3 -2,-0.5 2,-0.3 -0.800 25.8 171.3 -92.2 115.3 -7.9 -14.2 -9.1 44 53 A V E -bc 9 71A 0 26,-2.9 28,-3.4 -2,-0.7 -34,-0.3 -0.892 43.6 -88.3-123.4 151.3 -8.2 -10.4 -8.9 45 54 A H > - 0 0 94 -36,-0.7 3,-2.5 -2,-0.3 4,-0.4 -0.346 46.4-115.2 -52.5 135.3 -11.1 -8.0 -9.4 46 55 A G G > S+ 0 0 30 1,-0.3 3,-0.8 26,-0.2 4,-0.3 0.775 114.8 56.1 -48.1 -35.3 -11.0 -7.1 -13.2 47 56 A D G 3 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.680 110.6 45.4 -72.0 -17.5 -10.2 -3.4 -12.5 48 57 A W G <> S+ 0 0 101 -3,-2.5 4,-2.8 1,-0.1 -1,-0.2 0.273 81.0 100.5-110.4 5.7 -7.1 -4.4 -10.5 49 58 A V H <> S+ 0 0 28 -3,-0.8 4,-2.1 -4,-0.4 5,-0.1 0.956 86.5 43.1 -57.9 -52.6 -5.6 -7.1 -12.8 50 59 A S H > S+ 0 0 76 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.858 113.2 54.0 -66.5 -31.4 -3.0 -4.8 -14.4 51 60 A H H > S+ 0 0 63 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.952 107.9 49.1 -63.8 -49.6 -2.1 -3.4 -10.9 52 61 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.862 110.4 52.3 -54.1 -39.2 -1.6 -7.0 -9.6 53 62 A E H X S+ 0 0 80 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.875 106.6 52.5 -66.6 -39.1 0.7 -7.5 -12.7 54 63 A D H X S+ 0 0 96 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.921 107.6 52.4 -57.9 -45.8 2.7 -4.4 -11.9 55 64 A L H X S+ 0 0 17 -4,-2.2 4,-3.6 2,-0.2 5,-0.5 0.891 109.8 47.8 -59.9 -43.1 3.2 -5.7 -8.3 56 65 A V H X S+ 0 0 5 -4,-1.8 4,-2.1 2,-0.2 7,-0.2 0.930 112.8 48.7 -61.7 -47.4 4.5 -9.1 -9.7 57 66 A D H < S+ 0 0 78 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.899 120.4 38.4 -56.9 -41.9 6.8 -7.2 -12.1 58 67 A K H < S+ 0 0 146 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.893 130.5 23.2 -79.1 -45.4 8.0 -5.0 -9.2 59 68 A Y H < S+ 0 0 68 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.718 134.5 25.7-100.4 -24.2 8.2 -7.5 -6.3 60 69 A L >< + 0 0 7 -4,-2.1 3,-2.0 -5,-0.5 4,-0.3 -0.243 64.4 145.9-137.4 45.9 8.6 -10.9 -7.8 61 70 A P G > S+ 0 0 80 0, 0.0 3,-1.0 0, 0.0 4,-0.2 0.798 74.1 59.9 -60.4 -28.4 10.2 -10.4 -11.3 62 71 A L G 3 S+ 0 0 153 1,-0.2 3,-0.2 2,-0.1 -5,-0.1 0.681 109.8 43.1 -70.9 -19.3 12.1 -13.8 -11.0 63 72 A Y G X> S+ 0 0 72 -3,-2.0 3,-1.4 -7,-0.2 4,-0.7 0.251 76.7 116.5-113.1 12.2 8.7 -15.6 -10.6 64 73 A K G X4 S+ 0 0 89 -3,-1.0 3,-1.0 -4,-0.3 -1,-0.1 0.862 78.3 47.4 -44.0 -49.9 6.8 -13.8 -13.4 65 74 A E G 34 S+ 0 0 156 1,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.651 107.5 57.0 -75.6 -16.3 6.3 -16.9 -15.5 66 75 A R G <4 S+ 0 0 66 -3,-1.4 -26,-3.0 -27,-0.1 2,-0.4 0.560 99.6 73.4 -83.4 -13.8 5.2 -19.0 -12.5 67 76 A I E << -c 40 0A 15 -3,-1.0 2,-0.5 -4,-0.7 -26,-0.2 -0.894 58.2-169.7-113.7 131.5 2.4 -16.5 -11.8 68 77 A I E -c 41 0A 48 -28,-2.7 -26,-3.3 -2,-0.4 2,-0.5 -0.988 8.6-158.0-117.8 116.9 -0.9 -16.1 -13.7 69 78 A I E +c 42 0A 21 -2,-0.5 2,-0.3 -28,-0.2 -26,-0.2 -0.849 23.0 171.1 -87.8 128.6 -3.1 -13.1 -12.9 70 79 A T E -c 43 0A 36 -28,-3.1 -26,-2.9 -2,-0.5 2,-0.4 -0.938 40.1 -88.7-137.2 159.0 -6.7 -13.6 -13.9 71 80 A K E -c 44 0A 135 -2,-0.3 -26,-0.2 -28,-0.2 -28,-0.1 -0.552 43.4-153.5 -68.1 120.5 -10.1 -11.8 -13.5 72 81 A G - 0 0 6 -28,-3.4 -26,-0.2 -2,-0.4 2,-0.2 -0.052 14.4-114.4 -77.8-171.1 -11.9 -13.1 -10.4 73 82 A G - 0 0 23 2,-0.3 6,-0.1 3,-0.1 -1,-0.1 -0.566 31.3 -85.7-122.8-174.3 -15.6 -13.1 -9.8 74 83 A A S S+ 0 0 106 -2,-0.2 2,-0.3 -64,-0.1 3,-0.0 0.652 110.3 19.4 -71.1 -19.4 -18.3 -11.5 -7.7 75 84 A D S > S- 0 0 70 1,-0.1 4,-1.8 -65,-0.0 -2,-0.3 -0.920 92.4 -94.9-143.8 169.0 -17.9 -14.0 -4.8 76 85 A R H > S+ 0 0 64 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.878 120.6 50.4 -56.8 -41.8 -15.2 -16.5 -3.8 77 86 A N H > S+ 0 0 4 108,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.842 109.0 51.4 -69.1 -32.8 -16.6 -19.5 -5.6 78 87 A T H > S+ 0 0 32 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.857 110.1 51.1 -67.5 -34.8 -17.0 -17.6 -8.9 79 88 A S H X S+ 0 0 4 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.918 108.2 51.4 -68.2 -42.0 -13.3 -16.6 -8.4 80 89 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.948 110.7 47.9 -58.0 -49.1 -12.4 -20.3 -7.9 81 90 A K H X S+ 0 0 54 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.926 112.0 50.3 -55.5 -45.9 -14.2 -21.3 -11.1 82 91 A N H X S+ 0 0 26 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.899 110.5 49.7 -60.9 -42.1 -12.4 -18.4 -12.9 83 92 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.916 110.2 49.8 -59.0 -46.8 -9.1 -19.6 -11.5 84 93 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.889 109.1 52.7 -64.2 -38.7 -9.8 -23.2 -12.7 85 94 A E H X S+ 0 0 94 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.905 109.1 48.9 -61.3 -44.0 -10.7 -21.9 -16.2 86 95 A A H X S+ 0 0 16 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.890 111.5 50.3 -62.4 -42.3 -7.4 -20.0 -16.4 87 96 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.926 109.1 51.1 -57.4 -47.9 -5.6 -23.2 -15.3 88 97 A D H < S+ 0 0 71 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.847 108.8 51.9 -61.7 -35.0 -7.5 -25.2 -18.0 89 98 A A H < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.847 109.0 50.7 -71.6 -33.8 -6.4 -22.6 -20.6 90 99 A Y H < S- 0 0 87 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.963 138.2 -8.8 -64.4 -55.3 -2.7 -23.0 -19.4 91 100 A R S < S- 0 0 159 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.1 -0.926 88.6-101.4-147.4 120.1 -2.9 -26.8 -19.7 92 101 A P - 0 0 96 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.112 48.7-110.5 -48.0 129.5 -6.1 -28.7 -20.4 93 102 A L - 0 0 42 -9,-0.1 -5,-0.0 2,-0.0 -9,-0.0 -0.238 27.8-161.9 -63.6 146.1 -7.3 -30.2 -17.1 94 103 A T > - 0 0 67 -92,-0.1 3,-0.8 0, 0.0 73,-0.4 -0.746 38.1-101.0-113.8 170.0 -7.4 -33.9 -16.2 95 104 A P T 3 S+ 0 0 72 0, 0.0 73,-0.3 0, 0.0 72,-0.1 0.686 119.0 51.5 -62.6 -21.1 -9.5 -35.4 -13.4 96 105 A E T 3 S+ 0 0 95 69,-0.1 2,-0.1 71,-0.1 -3,-0.0 0.596 77.5 116.0 -97.4 -10.8 -6.5 -35.6 -11.0 97 106 A D < - 0 0 8 -3,-0.8 69,-2.1 -96,-0.1 70,-0.4 -0.359 52.8-153.5 -62.5 134.5 -5.2 -32.0 -11.3 98 107 A I E -aD 3 165A 1 -96,-2.7 -94,-2.5 67,-0.3 2,-0.4 -0.810 12.7-154.4-116.6 146.5 -5.5 -30.3 -7.9 99 108 A V E -aD 4 164A 0 65,-2.6 65,-1.7 -2,-0.3 2,-0.9 -0.994 7.2-153.0-119.6 128.7 -5.9 -26.6 -6.9 100 109 A V E -aD 5 163A 0 -96,-3.3 -94,-2.9 -2,-0.4 2,-0.3 -0.878 23.0-160.2 -94.0 99.4 -4.7 -25.3 -3.5 101 110 A T E +aD 6 162A 0 61,-2.3 61,-2.0 -2,-0.9 2,-0.3 -0.626 17.1 167.6 -86.3 141.7 -7.1 -22.4 -2.9 102 111 A H E -a 7 0A 0 -96,-2.4 -94,-2.7 -2,-0.3 2,-0.2 -0.987 37.9-103.4-158.1 139.4 -6.1 -19.7 -0.4 103 112 A D E > -a 8 0A 8 -2,-0.3 3,-1.4 -96,-0.2 -94,-0.2 -0.436 23.1-138.0 -62.8 135.1 -7.1 -16.2 0.7 104 113 A S T 3 S+ 0 0 4 -96,-2.9 -77,-0.3 1,-0.3 -95,-0.1 0.806 103.0 59.1 -60.4 -31.8 -4.8 -13.4 -0.5 105 114 A V T 3 S+ 0 0 15 -97,-0.3 105,-2.9 1,-0.2 -1,-0.3 0.133 83.6 84.6 -90.9 20.1 -5.1 -11.7 2.9 106 115 A R X + 0 0 10 -3,-1.4 3,-0.9 103,-0.2 -1,-0.2 -0.659 48.5 158.8-113.4 72.4 -3.7 -14.8 4.8 107 116 A P T 3 + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 -77,-0.1 0.578 60.1 72.0 -74.3 -7.6 0.1 -14.1 4.3 108 117 A F T 3 + 0 0 36 100,-0.4 98,-0.1 98,-0.1 101,-0.1 0.215 63.5 129.7 -98.3 16.5 1.2 -16.3 7.3 109 118 A I < - 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0 0 43 247,-0.4 247,-3.1 -2,-0.2 2,-0.5 -0.771 34.4-146.7 -81.8 131.3 -17.9 -19.7 22.1 137 146 A I E -K 382 0C 5 -2,-0.5 2,-0.4 245,-0.2 245,-0.2 -0.898 16.0-172.6-110.0 127.0 -20.4 -20.2 19.3 138 147 A V E -K 381 0C 2 243,-3.0 243,-2.5 -2,-0.5 2,-0.4 -0.943 12.9-144.4-116.0 136.9 -24.1 -19.6 19.7 139 148 A E E +KL 380 148C 49 9,-3.2 8,-2.2 -2,-0.4 9,-1.8 -0.862 23.2 165.4-102.1 134.6 -26.8 -20.5 17.1 140 149 A S - 0 0 0 239,-3.1 6,-0.1 -2,-0.4 -2,-0.0 -0.853 15.7-175.5-145.9 111.9 -29.9 -18.4 16.4 141 150 A T S S+ 0 0 76 -2,-0.3 -1,-0.1 1,-0.2 5,-0.1 0.827 93.8 39.2 -69.9 -33.5 -31.9 -18.9 13.2 142 151 A N S S- 0 0 64 3,-0.4 -1,-0.2 237,-0.1 4,-0.1 0.668 99.6-133.0 -92.3 -20.8 -34.2 -16.0 14.1 143 152 A G S S+ 0 0 23 2,-0.4 3,-0.1 236,-0.1 -2,-0.1 0.569 90.5 80.5 77.5 9.3 -31.5 -13.6 15.4 144 153 A Q S S+ 0 0 144 1,-0.4 281,-2.2 280,-0.1 2,-0.3 0.724 98.3 11.6-112.4 -41.3 -33.6 -12.8 18.4 145 154 A F B S-M 424 0C 83 279,-0.3 -3,-0.4 207,-0.1 -1,-0.4 -0.939 87.4 -87.2-139.3 159.3 -33.1 -15.8 20.8 146 155 A I - 0 0 13 277,-2.4 277,-0.3 -2,-0.3 -6,-0.3 -0.540 30.6-177.8 -71.4 124.1 -30.8 -18.7 21.1 147 156 A T - 0 0 47 -8,-2.2 2,-0.2 -2,-0.4 -7,-0.2 0.625 68.9 -33.5 -96.8 -21.2 -32.0 -21.7 19.1 148 157 A D B -L 139 0C 64 -9,-1.8 -9,-3.2 -3,-0.1 -1,-0.4 -0.877 43.8-121.5 179.1 173.8 -29.1 -23.7 20.3 149 158 A I - 0 0 28 -2,-0.2 -11,-0.2 -11,-0.2 3,-0.1 -0.975 35.7-136.0-115.6 111.2 -25.4 -24.0 21.5 150 159 A P - 0 0 23 0, 0.0 2,-0.7 0, 0.0 -13,-0.2 -0.286 35.7 -89.6 -60.5 152.2 -23.4 -26.5 19.4 151 160 A N > - 0 0 94 1,-0.2 3,-1.9 3,-0.1 4,-0.1 -0.562 35.3-152.2 -63.7 110.3 -21.1 -28.9 21.2 152 161 A R G > S+ 0 0 125 -2,-0.7 3,-1.3 1,-0.3 -19,-0.2 0.714 88.3 73.6 -61.9 -22.4 -17.9 -26.9 21.4 153 162 A A G 3 S+ 0 0 75 1,-0.2 -1,-0.3 -21,-0.1 -2,-0.1 0.690 102.8 41.9 -62.4 -17.7 -15.8 -30.2 21.4 154 163 A H G < S+ 0 0 57 -3,-1.9 211,-2.1 210,-0.0 2,-0.4 0.204 93.0 104.9-117.1 13.4 -16.7 -30.6 17.7 155 164 A L E < -G 364 0A 7 -3,-1.3 -22,-1.7 209,-0.2 2,-0.3 -0.787 41.9-178.9-105.1 142.0 -16.2 -27.0 16.5 156 165 A Y E -GE 363 132A 39 207,-2.2 207,-2.5 -2,-0.4 2,-0.6 -0.955 30.7-118.8-133.3 146.1 -13.3 -25.7 14.4 157 166 A Q E -GE 362 131A 40 -26,-3.0 -26,-2.0 -2,-0.3 2,-0.3 -0.826 36.3-129.4 -84.2 123.9 -12.5 -22.3 13.0 158 167 A G E + E 0 130A 6 203,-3.2 203,-0.4 -2,-0.6 -28,-0.2 -0.587 37.8 161.3 -77.3 132.4 -12.3 -22.6 9.3 159 168 A Q E - 0 0 3 -30,-3.1 -30,-0.3 -2,-0.3 49,-0.1 -0.495 30.6 -66.0-123.8-164.5 -9.2 -21.2 7.6 160 169 A T E S+ 0 0 5 47,-0.2 2,-0.2 -2,-0.2 -58,-0.2 -0.928 79.8 79.4-127.3 162.6 -7.6 -21.6 4.2 161 170 A P E - 0 0 0 0, 0.0 -32,-2.1 0, 0.0 2,-0.4 0.295 50.7-176.5 -59.5 156.4 -6.2 -23.5 2.2 162 171 A Q E -DE 101 128A 2 -61,-2.0 -61,-2.3 -34,-0.2 2,-0.4 -0.986 13.4-166.0-127.3 124.0 -9.1 -25.4 0.8 163 172 A T E +DE 100 127A 0 -36,-2.0 -36,-1.9 -2,-0.4 2,-0.3 -0.910 20.1 133.6-127.1 136.8 -7.8 -28.0 -1.6 164 173 A F E -DE 99 126A 0 -65,-1.7 -65,-2.6 -2,-0.4 2,-0.2 -0.985 57.1 -71.3-169.2 164.2 -9.5 -30.2 -4.2 165 174 A R E > -D 98 0A 23 -40,-0.7 4,-2.1 -2,-0.3 -67,-0.3 -0.513 40.6-134.4 -69.2 132.9 -9.5 -31.6 -7.7 166 175 A C H > S+ 0 0 0 -69,-2.1 4,-2.1 1,-0.2 -1,-0.1 0.908 105.5 49.0 -55.2 -48.0 -10.3 -28.8 -10.2 167 176 A K H > S+ 0 0 91 -73,-0.4 4,-2.9 -70,-0.4 -1,-0.2 0.893 108.2 55.3 -60.0 -42.6 -12.7 -31.0 -12.2 168 177 A D H > S+ 0 0 47 -73,-0.3 4,-2.2 1,-0.2 5,-0.3 0.909 108.5 46.7 -58.5 -47.5 -14.5 -32.0 -9.0 169 178 A F H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.925 113.0 50.3 -60.4 -45.7 -15.1 -28.4 -8.0 170 179 A M H X S+ 0 0 55 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.938 111.3 47.6 -58.2 -50.1 -16.4 -27.6 -11.5 171 180 A D H X S+ 0 0 85 -4,-2.9 4,-0.6 2,-0.2 -1,-0.2 0.919 117.9 40.1 -56.5 -48.7 -18.8 -30.6 -11.6 172 181 A L H >< S+ 0 0 24 -4,-2.2 3,-0.7 -5,-0.2 -2,-0.2 0.910 117.5 46.8 -71.1 -45.1 -20.3 -29.9 -8.1 173 182 A Y H >< S+ 0 0 13 -4,-2.7 3,-1.5 -5,-0.3 -1,-0.2 0.875 108.3 57.9 -62.4 -38.5 -20.5 -26.2 -8.4 174 183 A G H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.689 97.4 62.2 -64.6 -21.5 -22.0 -26.5 -11.8 175 184 A S T << S+ 0 0 59 -3,-0.7 2,-0.3 -4,-0.6 -1,-0.3 0.382 87.8 97.1 -86.5 3.3 -24.9 -28.5 -10.4 176 185 A L < - 0 0 14 -3,-1.5 2,-0.1 -4,-0.1 -3,-0.0 -0.717 69.8-128.9-100.7 142.3 -26.1 -25.7 -8.2 177 186 A S > - 0 0 49 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.409 34.6-105.1 -72.9 161.7 -28.8 -23.2 -8.8 178 187 A D H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.905 125.0 52.5 -52.5 -42.1 -28.1 -19.5 -8.4 179 188 A E H > S+ 0 0 119 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.866 109.0 48.1 -64.2 -39.0 -30.0 -19.6 -5.2 180 189 A E H >> S+ 0 0 88 1,-0.2 4,-2.9 2,-0.2 3,-0.8 0.908 109.1 53.7 -68.5 -41.1 -28.0 -22.6 -3.9 181 190 A K H 3< S+ 0 0 44 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.863 103.6 57.5 -59.0 -37.7 -24.7 -20.7 -4.8 182 191 A E H 3< S+ 0 0 142 -4,-1.9 -1,-0.2 -5,-0.2 3,-0.2 0.771 116.8 34.0 -59.8 -29.8 -25.9 -17.7 -2.8 183 192 A I H << S+ 0 0 96 -3,-0.8 2,-1.4 -4,-0.7 -2,-0.2 0.798 111.0 60.4 -96.7 -37.3 -26.2 -19.9 0.3 184 193 A L < + 0 0 12 -4,-2.9 -1,-0.2 1,-0.2 6,-0.1 -0.546 62.5 150.8 -95.7 68.7 -23.3 -22.4 -0.2 185 194 A T + 0 0 76 -2,-1.4 2,-0.4 -3,-0.2 -108,-0.3 0.619 47.5 78.8 -79.8 -16.1 -20.6 -19.7 -0.3 186 195 A D S > S- 0 0 13 -3,-0.2 4,-1.1 1,-0.1 188,-0.0 -0.791 73.3-141.8 -98.7 136.6 -17.8 -21.9 1.1 187 196 A A H > S+ 0 0 0 -2,-0.4 4,-1.2 1,-0.2 3,-0.5 0.916 103.0 49.7 -66.1 -44.3 -16.1 -24.3 -1.4 188 197 A C H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.864 102.8 62.4 -61.7 -37.0 -15.7 -27.1 1.2 189 198 A K H > S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.864 99.7 54.9 -54.1 -39.0 -19.5 -26.7 2.1 190 199 A I H X S+ 0 0 0 -4,-1.1 4,-1.1 -3,-0.5 -1,-0.2 0.911 111.0 44.0 -64.5 -43.7 -20.3 -27.7 -1.5 191 200 A F H <>S+ 0 0 1 -4,-1.2 5,-2.5 2,-0.2 -2,-0.2 0.925 114.4 50.8 -64.3 -45.3 -18.3 -30.9 -1.2 192 201 A V H ><5S+ 0 0 21 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.934 110.7 46.6 -59.4 -48.5 -19.8 -31.6 2.3 193 202 A I H 3<5S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 106.3 59.8 -70.2 -24.4 -23.4 -31.2 1.3 194 203 A K T 3<5S- 0 0 86 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.246 122.9-106.1 -84.7 11.9 -22.8 -33.4 -1.8 195 204 A G T < 5S+ 0 0 69 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.2 0.729 70.2 149.8 74.5 24.9 -21.8 -36.2 0.6 196 205 A K < - 0 0 91 -5,-2.5 2,-0.8 -6,-0.1 -1,-0.2 -0.417 53.5-103.5 -91.7 165.9 -18.1 -36.0 -0.2 197 206 A D - 0 0 51 -2,-0.1 -71,-1.9 173,-0.1 -72,-1.9 -0.788 37.1-179.1 -93.9 102.9 -15.1 -36.7 2.1 198 207 A V E -f 126 0A 0 -2,-0.8 173,-2.3 173,-0.3 -71,-0.2 -0.898 13.6-153.5-108.8 105.4 -13.5 -33.5 3.3 199 208 A A E -fH 127 370A 3 -73,-2.2 -71,-2.3 -2,-0.7 2,-0.5 -0.382 16.3-117.9 -73.5 151.9 -10.4 -34.1 5.5 200 209 A L E -f 128 0A 27 169,-1.7 2,-0.4 -73,-0.2 -71,-0.2 -0.805 24.6-162.8 -90.7 129.6 -9.2 -31.7 8.2 201 210 A A E -f 129 0A 2 -73,-2.7 -71,-2.9 -2,-0.5 2,-0.5 -0.889 29.8-106.4-106.3 147.6 -5.8 -30.1 7.7 202 211 A K E -f 130 0A 126 -2,-0.4 -71,-0.2 -73,-0.2 -86,-0.1 -0.608 39.7-173.6 -77.9 116.9 -4.1 -28.4 10.7 203 212 A G - 0 0 0 -73,-3.2 2,-0.3 -2,-0.5 -73,-0.1 0.093 19.7-117.1 -82.8-156.3 -4.1 -24.7 10.4 204 213 A E > - 0 0 58 1,-0.1 3,-1.4 -75,-0.1 -73,-0.1 -0.985 10.6-129.2-148.4 145.0 -2.4 -22.3 12.8 205 214 A Y T 3 S+ 0 0 132 -2,-0.3 -1,-0.1 1,-0.3 -74,-0.0 0.843 114.6 57.6 -62.4 -29.2 -3.7 -19.6 15.1 206 215 A S T 3 S+ 0 0 51 1,-0.2 2,-3.0 -98,-0.1 -1,-0.3 0.596 75.2 99.3 -74.4 -14.0 -1.1 -17.3 13.4 207 216 A N < - 0 0 1 -3,-1.4 -47,-0.2 -100,-0.1 -1,-0.2 -0.190 67.1-178.7 -69.5 52.2 -2.7 -18.0 10.0 208 217 A L - 0 0 29 -2,-3.0 2,-0.6 1,-0.1 -100,-0.4 -0.192 28.3-138.3 -56.8 138.0 -4.5 -14.6 10.5 209 218 A K - 0 0 67 -103,-0.1 2,-1.3 -102,-0.1 3,-0.3 -0.915 17.3-140.4 -95.4 119.2 -7.0 -13.3 7.9 210 219 A I + 0 0 2 -105,-2.9 -197,-0.1 -2,-0.6 3,-0.1 -0.697 53.7 130.8 -88.7 94.9 -6.3 -9.6 7.5 211 220 A T + 0 0 79 -2,-1.3 2,-0.2 1,-0.1 -1,-0.2 0.775 59.2 39.7-109.4 -49.7 -9.8 -8.2 7.2 212 221 A T S > S- 0 0 64 -3,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.566 85.5-107.1-105.8 166.5 -10.1 -5.2 9.6 213 222 A V H > S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.785 123.5 57.1 -63.4 -26.0 -7.7 -2.4 10.6 214 223 A T H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.911 104.5 50.4 -66.1 -43.4 -7.3 -4.3 13.9 215 224 A D H > S+ 0 0 32 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.886 107.4 55.1 -60.7 -38.5 -6.2 -7.4 12.0 216 225 A L H X S+ 0 0 19 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.889 106.6 50.0 -59.5 -44.2 -3.7 -5.2 10.1 217 226 A K H X S+ 0 0 71 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.904 110.9 49.2 -60.8 -45.7 -2.2 -4.1 13.5 218 227 A I H X S+ 0 0 33 -4,-2.2 4,-2.1 2,-0.2 3,-0.3 0.972 110.4 51.0 -58.0 -53.1 -1.9 -7.7 14.6 219 228 A A H X S+ 0 0 0 -4,-3.0 4,-1.7 1,-0.2 -2,-0.2 0.891 110.1 49.4 -50.2 -47.3 -0.1 -8.6 11.3 220 229 A K H < S+ 0 0 116 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 109.9 50.4 -60.2 -42.6 2.3 -5.7 11.8 221 230 A S H >< S+ 0 0 18 -4,-2.1 3,-0.8 -3,-0.3 -1,-0.2 0.839 109.0 54.7 -63.3 -33.9 3.1 -6.8 15.3 222 231 A M H 3< S+ 0 0 60 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.815 101.4 53.2 -72.2 -37.2 3.7 -10.3 14.0 223 232 A I T 3< 0 0 72 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.403 360.0 360.0 -76.0 5.9 6.3 -9.3 11.4 224 233 A E < 0 0 193 -3,-0.8 -1,-0.2 -5,-0.2 -205,-0.0 -0.590 360.0 360.0 73.5 360.0 7.9 -7.7 14.4 225 !* 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 0.0 226 0 B H 0 0 106 0, 0.0 2,-0.2 0, 0.0 96,-0.1 0.000 360.0 360.0 360.0 145.8 -36.2 -4.9 42.0 227 1 B M - 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0 0 21 -3,-1.6 3,-1.4 -4,-0.2 -1,-0.1 -0.837 67.3-163.3 -94.8 107.5 -25.2 3.3 34.6 260 44 B P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.716 83.2 64.8 -62.7 -22.9 -27.1 5.0 37.5 261 45 B S T 3 S+ 0 0 54 -34,-0.0 -33,-0.5 -32,-0.0 2,-0.5 0.510 73.8 104.9 -84.5 -4.3 -29.6 2.1 38.0 262 46 B I E < -n 228 0C 4 -3,-1.4 -33,-0.2 -6,-0.3 3,-0.1 -0.664 55.3-162.6 -75.3 123.9 -26.9 -0.4 39.1 263 47 B E E - 0 0 54 -35,-3.5 2,-0.3 -2,-0.5 -34,-0.2 0.944 69.8 -5.4 -73.7 -50.3 -27.3 -0.8 42.9 264 48 B K E -n 229 0C 33 -36,-0.5 -34,-2.2 2,-0.0 2,-0.7 -0.993 58.8-134.8-144.2 148.2 -23.8 -2.3 43.5 265 49 B I E -np 230 292C 0 26,-3.2 28,-3.2 -2,-0.3 2,-0.5 -0.929 27.8-163.0-102.2 110.3 -20.9 -3.5 41.4 266 50 B V E -np 231 293C 0 -36,-3.0 -34,-2.8 -2,-0.7 2,-0.5 -0.856 1.9-162.7-102.4 124.6 -19.9 -6.8 42.8 267 51 B V E -np 232 294C 0 26,-3.7 28,-3.3 -2,-0.5 2,-0.7 -0.934 6.7-154.5-113.0 121.4 -16.4 -8.1 41.8 268 52 B G E +np 233 295C 0 -36,-2.7 -34,-2.4 -2,-0.5 2,-0.3 -0.862 26.4 165.6 -91.7 115.8 -15.4 -11.7 42.2 269 53 B V E -np 234 296C 0 26,-2.5 28,-3.3 -2,-0.7 -34,-0.3 -0.854 46.4 -75.0-123.2 164.9 -11.6 -12.1 42.5 270 54 B H > - 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