==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-NOV-03 1VGU . COMPND 2 MOLECULE: 2-C-METHYL-D-ERYTHRITOL 4-PHOSPHATE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR STRUCTURAL GENOMIX . 410 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 281 68.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 1 0.2 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 . 3 0.7 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 . 30 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 22.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 1 2 2 3 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 4 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 PARALLEL BRIDGES PER LADDER . 2 1 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 6 A L 0 0 134 0, 0.0 2,-0.1 0, 0.0 84,-0.0 0.000 360.0 360.0 360.0 162.2 29.8 6.7 32.1 2 7 A D - 0 0 87 35,-0.1 85,-0.8 1,-0.0 84,-0.7 -0.362 360.0-149.4 -71.6 146.1 28.7 6.1 35.6 3 8 A V E -ab 37 87A 1 33,-3.3 35,-1.9 82,-0.1 36,-0.9 -0.909 2.2-156.5-115.7 139.7 27.9 9.0 38.0 4 9 A C E -ab 39 88A 2 83,-1.5 85,-2.1 -2,-0.4 2,-0.3 -0.977 12.9-148.3-116.1 125.2 28.3 8.9 41.8 5 10 A A E -ab 40 89A 0 34,-2.7 36,-3.3 -2,-0.5 2,-0.4 -0.698 9.3-161.4 -92.2 147.7 26.3 11.3 43.8 6 11 A V E -ab 41 90A 0 83,-3.4 85,-1.7 -2,-0.3 36,-0.2 -0.996 6.6-157.6-132.4 127.3 27.6 12.7 47.0 7 12 A V E -a 42 0A 3 34,-2.3 36,-2.7 -2,-0.4 85,-0.1 -0.908 19.3-144.8-105.5 111.1 25.5 14.3 49.7 8 13 A P 0 0 5 0, 0.0 85,-0.3 0, 0.0 63,-0.1 -0.238 360.0 360.0 -70.5 165.6 27.5 16.6 51.9 9 14 A A 0 0 51 61,-0.2 35,-0.1 59,-0.2 66,-0.1 -0.358 360.0 360.0 -69.7 360.0 26.9 17.0 55.6 10 ! 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 11 25 A C 0 0 142 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 43.5 19.0 22.1 63.4 12 26 A P - 0 0 99 0, 0.0 3,-0.2 0, 0.0 189,-0.1 -0.411 360.0-149.7 -72.5 153.0 18.9 20.7 59.9 13 27 A K > + 0 0 27 187,-0.5 3,-1.8 1,-0.1 10,-0.3 0.408 67.5 99.9-104.8 0.1 15.6 19.6 58.4 14 28 A Q T 3 S+ 0 0 32 1,-0.3 10,-2.7 9,-0.1 9,-0.3 0.759 82.1 55.4 -60.3 -25.0 16.4 16.7 56.0 15 29 A Y T 3 S+ 0 0 37 -3,-0.2 -1,-0.3 8,-0.2 -2,-0.1 0.470 85.9 97.7 -88.7 -0.7 15.3 14.1 58.5 16 30 A L S < S- 0 0 74 -3,-1.8 7,-2.1 6,-0.1 2,-0.4 -0.342 76.3-114.7 -76.5 168.8 11.8 15.6 59.0 17 31 A S E -J 22 0B 77 5,-0.3 2,-0.5 6,-0.1 5,-0.2 -0.914 27.7-176.8-120.6 139.5 9.1 13.9 57.0 18 32 A I E > S-J 21 0B 16 3,-1.8 3,-0.9 -2,-0.4 2,-0.2 -0.982 78.3 -32.8-122.1 107.9 6.8 15.0 54.1 19 33 A G T 3 S- 0 0 67 -2,-0.5 191,-0.0 1,-0.2 0, 0.0 -0.475 122.9 -22.6 78.8-147.3 4.5 12.0 53.5 20 34 A N T 3 S+ 0 0 151 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.325 127.1 51.9 -84.6 9.5 5.8 8.5 54.0 21 35 A Q E < S-J 18 0B 41 -3,-0.9 -3,-1.8 3,-0.0 2,-0.2 -0.920 83.4-104.9-139.9 167.0 9.5 9.5 53.6 22 36 A T E > -J 17 0B 8 -2,-0.3 4,-1.9 -5,-0.2 3,-0.4 -0.493 37.2-108.3 -87.6 160.5 12.0 11.9 55.0 23 37 A I H > S+ 0 0 0 -7,-2.1 4,-2.4 -10,-0.3 3,-0.4 0.952 120.4 58.0 -51.7 -50.0 13.2 14.9 53.0 24 38 A L H > S+ 0 0 4 -10,-2.7 4,-3.1 1,-0.3 -1,-0.2 0.856 104.7 50.0 -48.4 -43.2 16.5 13.1 52.6 25 39 A E H > S+ 0 0 17 -3,-0.4 4,-3.3 -11,-0.3 -1,-0.3 0.895 107.1 54.1 -67.2 -38.3 14.9 10.2 50.9 26 40 A H H X S+ 0 0 30 -4,-1.9 4,-1.9 -3,-0.4 -2,-0.2 0.933 112.7 45.0 -60.6 -42.9 13.0 12.4 48.5 27 41 A S H X S+ 0 0 0 -4,-2.4 4,-1.3 66,-0.3 -2,-0.2 0.977 115.3 45.0 -64.5 -54.9 16.3 13.9 47.6 28 42 A V H >X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 3,-0.6 0.898 109.3 56.1 -57.3 -43.3 18.2 10.7 47.2 29 43 A H H 3X S+ 0 0 88 -4,-3.3 4,-2.2 1,-0.2 -1,-0.2 0.944 103.9 55.3 -54.6 -47.1 15.3 9.0 45.3 30 44 A A H 3< S+ 0 0 10 -4,-1.9 -1,-0.2 -5,-0.2 4,-0.2 0.815 112.2 42.8 -54.2 -35.8 15.5 11.9 42.8 31 45 A L H X< S+ 0 0 0 -4,-1.3 3,-1.7 -3,-0.6 6,-0.3 0.938 113.3 48.8 -77.3 -49.6 19.2 11.1 42.2 32 46 A L H 3< S+ 0 0 25 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.798 96.9 76.4 -60.2 -27.1 19.0 7.3 42.1 33 47 A A T 3< S+ 0 0 60 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.680 79.0 82.0 -58.5 -22.6 16.1 7.7 39.6 34 48 A H S X S- 0 0 29 -3,-1.7 3,-2.3 -4,-0.2 -1,-0.0 -0.802 82.0-133.1 -94.4 124.4 18.5 8.5 36.8 35 49 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.617 102.6 57.7 -43.8 -23.8 20.2 5.5 35.1 36 50 A R T 3 S+ 0 0 53 1,-0.1 -33,-3.3 -34,-0.1 2,-1.3 0.785 83.3 86.7 -83.9 -26.0 23.6 7.1 35.2 37 51 A V E < +a 3 0A 3 -3,-2.3 -33,-0.2 -6,-0.3 -1,-0.1 -0.610 51.0 171.0 -78.0 96.8 23.7 7.6 39.0 38 52 A K E + 0 0 76 -35,-1.9 2,-0.3 -2,-1.3 -1,-0.2 0.924 62.0 2.9 -72.7 -48.2 25.1 4.2 40.1 39 53 A R E -a 4 0A 77 -36,-0.9 -34,-2.7 43,-0.1 2,-0.5 -0.940 57.3-141.6-140.2 164.2 25.6 5.0 43.8 40 54 A V E -ac 5 62A 0 21,-2.4 23,-2.1 -2,-0.3 2,-0.7 -0.988 10.3-154.5-129.0 119.6 25.2 7.8 46.3 41 55 A V E -ac 6 63A 0 -36,-3.3 -34,-2.3 -2,-0.5 2,-0.6 -0.863 15.1-158.0 -94.1 114.6 27.8 8.4 49.0 42 56 A I E -ac 7 64A 5 21,-3.7 23,-1.8 -2,-0.7 2,-0.7 -0.867 0.8-154.8 -99.6 120.1 26.0 10.0 51.9 43 57 A A E - c 0 65A 3 -36,-2.7 23,-0.2 -2,-0.6 2,-0.2 -0.822 16.5-169.6 -97.7 115.0 28.3 12.0 54.2 44 58 A I E - c 0 66A 31 21,-2.6 23,-0.7 -2,-0.7 24,-0.4 -0.498 23.5-104.0-100.9 169.8 26.9 12.3 57.7 45 59 A S > - 0 0 29 -2,-0.2 3,-2.7 21,-0.1 24,-0.1 -0.697 30.8-114.9 -91.0 144.0 27.8 14.4 60.7 46 60 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.821 116.7 47.3 -44.7 -34.5 29.7 12.8 63.6 47 61 A G T 3 S+ 0 0 75 2,-0.0 2,-0.6 1,-0.0 -3,-0.0 0.169 87.6 101.3 -98.8 23.5 26.7 13.5 65.8 48 62 A D < + 0 0 32 -3,-2.7 4,-0.1 1,-0.1 -4,-0.0 -0.902 26.9 152.7-112.3 110.2 23.9 12.2 63.5 49 63 A S + 0 0 93 -2,-0.6 -1,-0.1 2,-0.1 3,-0.1 0.301 57.9 83.6-116.7 5.1 22.6 8.8 64.3 50 64 A R S > S+ 0 0 154 1,-0.2 3,-2.1 2,-0.2 -1,-0.1 0.812 79.0 68.0 -78.3 -29.7 19.2 9.1 62.9 51 65 A F G > S+ 0 0 4 1,-0.3 3,-1.8 2,-0.2 6,-0.2 0.850 92.4 58.5 -57.1 -38.2 20.4 8.3 59.4 52 66 A A G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.2 0.553 98.7 63.8 -69.6 -4.0 21.1 4.7 60.5 53 67 A Q G < S+ 0 0 141 -3,-2.1 -1,-0.3 4,-0.0 -2,-0.2 0.285 85.7 93.2-101.2 8.6 17.4 4.6 61.4 54 68 A L S X S- 0 0 20 -3,-1.8 3,-3.6 1,-0.1 4,-0.4 -0.870 77.5-132.7-108.0 136.1 16.3 5.0 57.8 55 69 A P G > S+ 0 0 97 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.887 106.9 73.3 -47.2 -36.8 15.5 2.2 55.3 56 70 A L G > S+ 0 0 7 1,-0.3 3,-0.8 2,-0.2 6,-0.1 0.653 83.6 67.9 -51.3 -18.3 17.7 4.2 53.0 57 71 A A G < S+ 0 0 28 -3,-3.6 -1,-0.3 -6,-0.2 7,-0.1 0.840 97.2 50.0 -74.1 -33.4 20.7 3.0 55.0 58 72 A N G < S+ 0 0 151 -3,-2.0 -1,-0.2 -4,-0.4 -2,-0.2 0.168 83.1 130.1 -90.6 17.4 20.3 -0.6 53.9 59 73 A H X - 0 0 66 -3,-0.8 3,-1.7 1,-0.1 -3,-0.0 -0.602 61.5-135.4 -81.2 128.8 20.2 0.4 50.3 60 74 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.733 104.9 45.7 -49.4 -27.7 22.5 -1.5 47.8 61 75 A Q T 3 S+ 0 0 70 -22,-0.1 -21,-2.4 2,-0.0 2,-0.3 0.576 96.4 84.4 -99.7 -7.5 23.4 1.8 46.2 62 76 A I E < -c 40 0A 13 -3,-1.7 2,-0.3 -23,-0.2 -21,-0.2 -0.688 50.3-174.4 -96.0 150.0 24.0 4.1 49.2 63 77 A T E -c 41 0A 40 -23,-2.1 -21,-3.7 -2,-0.3 2,-0.3 -0.992 14.8-142.5-137.2 137.4 27.3 4.3 51.1 64 78 A V E +c 42 0A 70 -2,-0.3 2,-0.3 -23,-0.2 -21,-0.2 -0.788 23.0 169.4-103.1 151.5 27.8 6.3 54.3 65 79 A V E -c 43 0A 25 -23,-1.8 -21,-2.6 -2,-0.3 2,-0.5 -0.960 23.5-140.5-150.0 159.9 31.0 8.2 55.1 66 80 A D E +c 44 0A 85 -2,-0.3 -21,-0.1 -23,-0.2 3,-0.1 -0.978 26.1 161.1-132.2 121.0 31.9 10.8 57.8 67 81 A G - 0 0 20 -23,-0.7 3,-0.3 1,-0.5 8,-0.1 0.050 57.6 -98.5-124.3 23.4 34.1 13.7 57.0 68 82 A G - 0 0 23 -24,-0.4 -1,-0.5 1,-0.2 -59,-0.2 -0.282 53.7 -60.7 88.5-177.7 33.3 16.0 59.9 69 83 A D S S+ 0 0 113 -24,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.625 104.5 94.5 -83.5 -14.0 30.9 18.9 60.0 70 84 A E S > S- 0 0 110 -3,-0.3 4,-2.6 1,-0.1 -61,-0.2 -0.611 70.2-142.7 -75.3 135.3 32.6 21.1 57.3 71 85 A R H > S+ 0 0 48 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.866 98.4 56.7 -71.4 -31.8 31.0 20.4 53.9 72 86 A A H > S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 114.0 41.6 -60.1 -43.2 34.2 20.7 51.9 73 87 A D H > S+ 0 0 67 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.903 112.0 52.9 -69.8 -45.0 35.6 17.9 54.1 74 88 A S H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.870 111.4 49.2 -59.7 -34.5 32.5 15.8 54.1 75 89 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.863 108.7 50.4 -72.8 -36.5 32.6 16.0 50.3 76 90 A L H X S+ 0 0 30 -4,-1.7 4,-1.4 2,-0.2 -2,-0.2 0.902 110.4 52.3 -65.9 -38.0 36.3 15.0 50.1 77 91 A A H X S+ 0 0 15 -4,-2.7 4,-0.8 1,-0.2 -2,-0.2 0.898 107.9 51.8 -63.0 -40.4 35.3 12.1 52.4 78 92 A G H >< S+ 0 0 0 -4,-1.6 3,-0.6 1,-0.2 -1,-0.2 0.859 102.7 58.1 -67.0 -33.4 32.5 11.2 49.9 79 93 A L H >< S+ 0 0 7 -4,-1.8 3,-2.0 1,-0.2 -1,-0.2 0.862 94.8 64.0 -66.8 -33.4 34.9 11.2 46.9 80 94 A K H 3< S+ 0 0 174 -4,-1.4 3,-0.5 1,-0.3 -1,-0.2 0.879 106.9 45.0 -57.1 -33.0 37.0 8.5 48.5 81 95 A A T << S+ 0 0 28 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.383 82.6 100.9 -90.8 4.1 34.0 6.2 48.2 82 96 A A X - 0 0 3 -3,-2.0 3,-1.6 1,-0.2 2,-0.3 0.483 66.2-162.2 -69.4 -0.2 33.1 7.3 44.7 83 97 A G T 3 - 0 0 50 -3,-0.5 -1,-0.2 1,-0.2 -79,-0.0 -0.378 64.5 -19.0 60.1-118.2 34.6 4.1 43.3 84 98 A D T 3 S+ 0 0 162 -2,-0.3 -1,-0.2 -3,-0.1 -2,-0.1 0.553 92.7 133.8 -99.6 -12.4 35.3 4.5 39.6 85 99 A A < - 0 0 8 -3,-1.6 -82,-0.1 1,-0.2 3,-0.1 -0.130 35.3-169.4 -44.9 123.2 32.9 7.4 38.8 86 100 A Q S S+ 0 0 106 -84,-0.7 71,-3.7 1,-0.1 2,-0.4 0.659 75.6 47.4 -90.5 -19.5 34.8 10.0 36.8 87 101 A W E S-bD 3 156A 8 -85,-0.8 -83,-1.5 69,-0.3 2,-0.4 -0.970 75.3-154.1-124.4 141.2 32.0 12.5 37.2 88 102 A V E -bD 4 155A 0 67,-2.7 67,-2.0 -2,-0.4 2,-0.6 -0.942 8.0-150.2-124.0 133.3 30.4 13.4 40.5 89 103 A L E -bD 5 154A 0 -85,-2.1 -83,-3.4 -2,-0.4 2,-0.6 -0.869 13.7-164.3 -98.5 118.0 26.9 14.8 41.4 90 104 A V E +bD 6 153A 0 63,-3.8 63,-1.9 -2,-0.6 2,-0.4 -0.918 17.5 170.9-107.6 118.7 26.9 16.9 44.5 91 105 A H - 0 0 0 -85,-1.7 2,-0.1 -2,-0.6 -2,-0.0 -0.976 33.5-112.8-133.9 140.7 23.4 17.5 45.9 92 106 A D > - 0 0 16 -2,-0.4 3,-1.0 -85,-0.1 -83,-0.1 -0.410 18.8-136.7 -69.9 142.5 21.9 19.0 49.1 93 107 A A T 3 S+ 0 0 10 -85,-0.3 -66,-0.3 1,-0.3 -65,-0.2 0.770 101.9 55.4 -67.9 -29.6 20.1 16.6 51.5 94 108 A A T 3 S+ 0 0 8 1,-0.1 106,-2.5 -67,-0.1 -1,-0.3 -0.062 79.1 94.8-100.3 34.7 17.3 19.2 51.9 95 109 A R X + 0 0 16 -3,-1.0 3,-0.6 104,-0.2 104,-0.2 -0.794 42.4 160.2-122.7 83.2 16.4 19.7 48.3 96 110 A P T 3 + 0 0 6 0, 0.0 -66,-0.1 0, 0.0 -1,-0.1 0.706 60.2 66.1 -75.1 -27.4 13.5 17.2 47.9 97 111 A C T 3 + 0 0 7 101,-0.4 99,-0.1 99,-0.2 102,-0.1 0.295 62.0 147.4 -86.4 9.0 11.8 18.6 44.8 98 112 A L < - 0 0 11 -3,-0.6 2,-0.2 100,-0.1 -3,-0.0 -0.216 39.5-139.4 -50.5 125.6 14.5 18.0 42.2 99 113 A H > - 0 0 37 95,-0.1 4,-2.4 1,-0.1 5,-0.1 -0.551 9.0-133.2 -90.5 150.5 12.9 17.3 38.8 100 114 A Q H > S+ 0 0 79 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.879 105.2 56.3 -69.8 -38.3 14.0 14.7 36.3 101 115 A D H > S+ 0 0 78 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.860 112.4 46.0 -62.6 -32.1 14.0 17.0 33.2 102 116 A D H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.942 109.0 52.3 -75.1 -48.1 16.4 19.2 35.2 103 117 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.912 111.0 48.2 -54.2 -45.2 18.7 16.5 36.3 104 118 A A H X S+ 0 0 43 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.930 106.5 55.0 -62.4 -46.9 19.1 15.2 32.8 105 119 A R H < S+ 0 0 110 -4,-1.5 4,-0.4 -5,-0.3 -1,-0.2 0.883 111.4 48.5 -54.9 -35.1 19.8 18.6 31.3 106 120 A L H >< S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.916 106.5 52.8 -71.4 -45.4 22.6 18.8 34.0 107 121 A L H >< S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.3 4,-0.4 0.730 93.7 73.1 -64.1 -22.6 24.2 15.4 33.3 108 122 A A G >< S+ 0 0 53 -4,-1.7 3,-1.6 1,-0.3 -1,-0.3 0.808 81.6 76.2 -61.7 -27.2 24.4 16.3 29.6 109 123 A L G X> S+ 0 0 19 -3,-1.6 4,-2.8 -4,-0.4 3,-2.1 0.773 76.0 70.7 -56.9 -30.7 27.2 18.6 30.7 110 124 A S G <4 S+ 0 0 5 -3,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.836 103.2 46.1 -57.7 -28.1 29.8 15.8 31.2 111 125 A E G <4 S+ 0 0 142 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.450 124.4 31.5 -92.5 -0.6 29.8 15.6 27.4 112 126 A T T <4 S+ 0 0 115 -3,-2.1 2,-0.2 -4,-0.2 -2,-0.2 0.745 108.0 51.2-124.1 -46.4 30.0 19.3 26.8 113 127 A S < - 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0 0 18 -5,-2.8 2,-1.1 -6,-0.2 -1,-0.1 -0.250 42.7-112.9 -63.0 159.6 39.1 30.0 50.6 173 187 A T - 0 0 128 6,-0.1 2,-0.2 7,-0.0 -1,-0.1 -0.746 40.8-166.7 -99.0 87.9 35.6 30.9 51.7 174 188 A I + 0 0 35 -2,-1.1 3,-0.1 1,-0.2 -103,-0.1 -0.485 25.0 160.1 -76.3 141.7 33.7 27.9 50.3 175 189 A T S S- 0 0 45 1,-0.8 2,-0.2 -2,-0.2 -1,-0.2 0.563 72.5 -3.5-119.8 -69.9 29.9 28.0 50.2 176 190 A D S > S- 0 0 7 1,-0.1 -1,-0.8 -105,-0.0 3,-0.6 -0.605 82.3 -97.8-116.1 179.2 28.9 25.4 47.7 177 191 A E T >> S+ 0 0 0 1,-0.2 3,-2.4 -2,-0.2 4,-1.3 0.905 120.3 62.1 -67.0 -41.7 31.2 23.2 45.6 178 192 A A H 3> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.734 98.2 59.6 -55.2 -24.1 30.9 25.4 42.5 179 193 A S H <> S+ 0 0 9 -3,-0.6 4,-1.4 2,-0.2 -1,-0.3 0.597 99.1 55.4 -83.9 -10.2 32.5 28.2 44.6 180 194 A A H <> S+ 0 0 0 -3,-2.4 4,-0.7 -4,-0.3 -2,-0.2 0.809 108.2 47.9 -86.6 -33.9 35.7 26.1 45.2 181 195 A L H ><>S+ 0 0 0 -4,-1.3 5,-2.5 2,-0.2 3,-0.8 0.907 110.5 53.8 -68.2 -41.8 36.2 25.7 41.4 182 196 A E H ><5S+ 0 0 22 -4,-1.6 3,-2.2 1,-0.3 -2,-0.2 0.946 105.1 52.9 -55.0 -50.7 35.5 29.5 41.1 183 197 A Y H 3<5S+ 0 0 109 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.737 106.2 56.4 -58.6 -22.3 38.3 30.0 43.7 184 198 A C T <<5S- 0 0 14 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.252 125.0 -97.5 -98.2 16.3 40.5 27.9 41.5 185 199 A G T < 5S+ 0 0 57 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.480 86.2 128.1 85.9 0.7 40.1 30.0 38.3 186 200 A F < - 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0 0 30 -2,-1.8 2,-0.7 7,-0.1 -101,-0.4 -0.625 41.1-129.2-105.2 162.0 14.2 24.5 47.1 199 213 A K - 0 0 90 -2,-0.2 2,-0.8 -104,-0.2 -104,-0.2 -0.896 26.9-138.2-108.3 104.2 16.3 23.8 50.1 200 214 A V + 0 0 1 -106,-2.5 -187,-0.5 -2,-0.7 -186,-0.0 -0.476 50.9 135.7 -65.5 104.5 14.1 23.2 53.2 201 215 A T + 0 0 59 -2,-0.8 -1,-0.2 1,-0.1 -187,-0.0 0.631 57.6 52.4-121.9 -26.6 15.7 25.0 56.1 202 216 A R S >> S- 0 0 142 -3,-0.2 3,-1.4 1,-0.1 4,-0.6 -0.758 86.4-112.3-112.0 157.3 12.9 26.9 57.8 203 217 A P H >> S+ 0 0 89 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.868 118.7 57.1 -57.5 -35.9 9.6 25.4 59.1 204 218 A E H 3> S+ 0 0 90 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.775 95.1 68.8 -66.5 -20.2 7.6 27.4 56.6 205 219 A D H <> S+ 0 0 7 -3,-1.4 4,-2.9 1,-0.2 -1,-0.3 0.792 87.4 67.3 -67.2 -27.7 9.8 25.6 54.0 206 220 A L H > + 0 0 69 1,-0.1 3,-1.1 2,-0.1 4,-0.7 -0.324 360.0 142.2-131.4 48.4 -7.8 39.7 38.9 227 37 B I H >> + 0 0 21 1,-0.2 4,-2.5 2,-0.2 3,-1.3 0.865 59.7 80.3 -53.8 -39.5 -5.0 40.1 41.4 228 38 B L H 3> S+ 0 0 44 1,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.807 89.9 50.1 -37.1 -48.6 -5.5 43.8 41.0 229 39 B E H <> S+ 0 0 84 -3,-1.1 4,-3.4 2,-0.2 -1,-0.3 0.879 111.9 48.6 -62.9 -38.6 -8.4 43.8 43.4 230 40 B H H < S+ 0 0 0 -4,-1.1 3,-0.8 -3,-0.5 -2,-0.2 0.922 120.7 38.8 -68.4 -44.4 -3.7 48.9 50.1 236 46 B L H 3< S+ 0 0 31 -4,-3.6 -2,-0.2 1,-0.2 5,-0.2 0.828 96.7 80.5 -73.3 -33.3 -7.2 50.0 51.0 237 47 B A T 3< S+ 0 0 74 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.663 83.4 86.8 -48.5 -12.9 -7.3 47.5 53.8 238 48 B H S < S- 0 0 35 -3,-0.8 3,-0.4 -4,-0.2 -3,-0.0 -0.680 72.2-148.9 -94.9 145.8 -5.4 50.2 55.6 239 49 B P S S+ 0 0 117 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.908 99.5 54.5 -75.8 -42.2 -6.9 53.1 57.5 240 50 B R S S+ 0 0 82 1,-0.2 2,-0.8 2,-0.1 -4,-0.1 0.452 91.3 84.6 -70.7 -0.5 -4.1 55.5 56.8 241 51 B V + 0 0 2 -3,-0.4 -1,-0.2 -5,-0.2 -3,-0.1 -0.652 56.2 174.4-106.3 76.1 -4.7 54.8 53.1 242 52 B K + 0 0 58 -2,-0.8 2,-0.3 -25,-0.4 -1,-0.2 0.796 61.5 5.0 -49.9 -40.8 -7.5 57.2 52.2 243 53 B R E -n 218 0C 87 -26,-0.7 -24,-1.4 38,-0.1 2,-0.5 -0.989 56.5-138.6-150.5 159.6 -7.5 56.5 48.5 244 54 B V E -np 219 261C 0 16,-3.3 18,-1.6 -2,-0.3 2,-0.7 -0.903 12.2-160.4-124.6 105.8 -6.1 54.4 45.7 245 55 B V E -np 220 262C 0 -26,-2.6 -24,-1.4 -2,-0.5 18,-0.2 -0.732 17.1-170.5 -84.0 116.3 -5.2 56.0 42.4 246 56 B I E -n 221 0C 6 16,-1.4 18,-0.5 -2,-0.7 2,-0.3 -0.401 9.0-142.7 -95.2 179.2 -5.0 53.2 39.8 247 57 B A - 0 0 3 -26,-0.9 -24,-0.5 16,-0.2 2,-0.4 -0.992 11.2-167.6-147.3 137.8 -3.7 53.7 36.2 248 58 B I B -t 265 0D 26 16,-2.5 18,-0.5 -2,-0.3 4,-0.1 -0.953 12.8-142.6-137.0 121.0 -4.8 52.2 33.0 249 59 B S - 0 0 53 -26,-0.7 18,-0.1 -2,-0.4 19,-0.1 -0.145 45.5 -76.8 -66.7 165.7 -3.1 52.2 29.6 250 60 B P S S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.100 113.4 39.3 -58.7 168.3 -5.1 52.6 26.4 251 61 B G S S+ 0 0 89 1,-0.2 2,-0.2 -3,-0.1 -2,-0.1 0.977 78.2 133.2 50.4 73.1 -7.0 49.6 25.2 252 62 B D + 0 0 62 -4,-0.1 4,-0.2 1,-0.1 -1,-0.2 -0.726 14.0 155.4-155.0 95.6 -8.2 48.3 28.5 253 63 B S > + 0 0 95 -2,-0.2 3,-0.6 2,-0.1 4,-0.4 0.691 64.0 76.9 -95.1 -24.2 -11.9 47.3 28.8 254 64 B R G >> S+ 0 0 194 1,-0.2 3,-2.5 2,-0.2 4,-0.9 0.910 83.5 64.5 -51.0 -52.4 -11.4 44.9 31.7 255 65 B F G >4 S+ 0 0 64 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.808 93.7 58.3 -43.6 -46.6 -11.1 47.6 34.4 256 66 B A G <4 S+ 0 0 92 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.664 101.3 60.3 -63.1 -15.3 -14.6 48.9 34.0 257 67 B Q G <4 0 0 162 -3,-2.5 -1,-0.2 -4,-0.4 -2,-0.2 0.864 360.0 360.0 -80.3 -38.8 -15.9 45.4 34.9 258 68 B L << 0 0 86 -4,-0.9 -32,-0.0 -3,-0.6 0, 0.0 -0.025 360.0 360.0 -61.9 360.0 -14.3 45.2 38.3 259 ! 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 0.0 260 75 B Q 0 0 140 0, 0.0 -16,-3.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 9.5 -11.6 55.9 47.3 261 76 B I E +p 244 0C 89 -18,-0.2 2,-0.2 -16,-0.1 -16,-0.2 -0.836 360.0 175.0-100.2 128.9 -10.8 54.6 43.8 262 77 B T E -p 245 0C 42 -18,-1.6 -16,-1.4 -2,-0.5 2,-0.4 -0.722 19.1-136.2-122.0 172.6 -9.8 56.9 41.0 263 78 B V + 0 0 67 -2,-0.2 2,-0.3 -18,-0.2 -16,-0.2 -0.999 18.2 178.9-137.6 137.0 -8.6 56.4 37.5 264 79 B V - 0 0 26 -18,-0.5 -16,-2.5 -2,-0.4 2,-0.9 -0.959 36.5-110.0-134.5 152.5 -5.8 58.0 35.5 265 80 B D B -t 248 0D 122 -2,-0.3 -16,-0.2 -18,-0.2 -18,-0.1 -0.735 43.2-143.0 -84.7 105.7 -4.5 57.5 32.0 266 81 B G - 0 0 11 -2,-0.9 4,-0.1 -18,-0.5 7,-0.1 0.015 8.0-124.7 -63.1 172.6 -1.2 55.8 32.4 267 82 B G - 0 0 29 2,-0.4 -1,-0.1 3,-0.2 3,-0.0 -0.013 27.8 -97.8 -99.7-153.9 1.9 56.4 30.3 268 83 B D S S+ 0 0 150 -19,-0.1 2,-0.2 -2,-0.0 -2,-0.0 0.801 104.0 56.6 -96.6 -41.4 4.2 54.1 28.4 269 84 B E S > S- 0 0 111 1,-0.1 4,-1.9 -3,-0.0 -2,-0.4 -0.542 87.1-121.4 -90.2 156.3 6.9 53.7 31.0 270 85 B R H > S+ 0 0 59 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.974 119.5 52.7 -56.6 -51.4 6.3 52.5 34.5 271 86 B A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.743 104.3 57.9 -55.2 -27.2 7.7 55.9 35.6 272 87 B D H > S+ 0 0 41 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.970 108.1 43.1 -68.1 -54.6 5.2 57.6 33.3 273 88 B S H X S+ 0 0 9 -4,-1.9 4,-3.9 2,-0.2 5,-0.3 0.869 109.8 56.0 -59.9 -42.3 2.1 56.1 35.0 274 89 B V H X S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.957 114.5 40.3 -56.1 -48.5 3.4 56.6 38.5 275 90 B L H X S+ 0 0 30 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.882 112.0 58.5 -64.9 -38.7 3.7 60.3 37.6 276 91 B A H >< S+ 0 0 19 -4,-2.9 3,-1.4 1,-0.3 4,-0.4 0.970 109.9 41.7 -54.0 -55.7 0.4 60.0 35.7 277 92 B G H >< S+ 0 0 0 -4,-3.9 3,-1.0 1,-0.3 4,-0.3 0.764 99.2 78.9 -63.9 -24.8 -1.3 58.9 38.9 278 93 B L H >< S+ 0 0 3 -4,-1.4 3,-0.9 -5,-0.3 -1,-0.3 0.757 83.3 62.1 -56.2 -26.6 0.7 61.5 40.8 279 94 B K G X< S+ 0 0 186 -3,-1.4 3,-0.5 -4,-0.7 -1,-0.2 0.858 101.2 51.7 -70.0 -34.1 -1.7 64.3 39.7 280 95 B A G < S+ 0 0 23 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.448 80.5 102.3 -80.8 1.9 -4.7 62.7 41.4 281 96 B A G X - 0 0 3 -3,-0.9 3,-1.6 -4,-0.3 -1,-0.2 0.470 59.9-169.7 -67.2 -5.4 -2.8 62.4 44.8 282 97 B G T < - 0 0 53 -3,-0.5 -1,-0.2 1,-0.2 -64,-0.0 -0.225 62.1 -12.1 57.7-126.0 -4.5 65.3 46.5 283 98 B D T 3 S+ 0 0 162 -2,-0.1 2,-0.4 -66,-0.0 -1,-0.2 0.139 95.5 130.2 -99.0 19.3 -3.0 66.5 49.8 284 99 B A < - 0 0 10 -3,-1.6 -3,-0.1 1,-0.1 3,-0.0 -0.635 36.5-174.6 -80.5 126.7 -0.9 63.4 50.3 285 100 B Q S S+ 0 0 64 -2,-0.4 71,-2.4 71,-0.1 2,-0.4 0.432 75.7 55.9 -95.5 -1.8 2.7 64.1 51.2 286 101 B W E - Q 0 355C 28 69,-0.3 -68,-1.9 70,-0.1 2,-0.3 -0.997 69.2-161.4-133.7 136.4 3.4 60.3 51.0 287 102 B V E -oQ 218 354C 0 67,-2.5 67,-1.5 -2,-0.4 2,-0.5 -0.905 7.0-154.6-120.5 147.6 2.8 58.0 48.1 288 103 B L E -oQ 219 353C 1 -70,-1.6 -68,-2.8 -2,-0.3 2,-0.4 -0.962 10.2-166.2-122.3 111.3 2.6 54.2 48.0 289 104 B V E -oQ 220 352C 0 63,-1.7 63,-1.6 -2,-0.5 2,-0.4 -0.769 11.1-176.0 -95.7 141.1 3.4 52.5 44.6 290 105 B H - 0 0 0 -70,-1.7 -2,-0.0 -2,-0.4 4,-0.0 -0.969 28.8-113.8-145.9 130.4 2.4 48.8 44.2 291 106 B D > - 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