==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-DEC-12 3ZHZ . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.BJORKELID,A.M.JANSSON,T.BERGFORS,T.UNGE,S.L.MOWBRAY,T.A.JO . 744 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29616.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 547 73.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 6.0 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 . 2 0.3 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 . 45 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 259 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.9 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 1 2 4 0 2 4 3 6 2 0 2 0 1 1 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 2 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 2 0 0 1 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 11 A G 0 0 130 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 90.8 -10.1 29.4 -7.3 2 12 A R - 0 0 126 27,-0.0 2,-0.4 28,-0.0 27,-0.2 -0.784 360.0-124.3 -91.3 145.2 -6.7 31.1 -7.5 3 13 A L E -a 29 0A 49 25,-2.3 27,-1.9 -2,-0.3 2,-0.5 -0.766 19.0-134.5 -90.6 138.2 -3.7 29.2 -6.1 4 14 A R E -a 30 0A 70 -2,-0.4 79,-2.3 25,-0.2 78,-1.8 -0.834 24.1-161.8 -98.9 127.6 -1.6 31.0 -3.5 5 15 A V E -ab 31 83A 0 25,-3.2 27,-2.4 -2,-0.5 28,-0.8 -0.923 17.2-160.5-123.3 123.2 2.1 30.8 -4.0 6 16 A V E -ab 33 84A 1 77,-2.4 79,-3.2 -2,-0.5 2,-0.6 -0.873 17.4-156.0 -92.1 127.2 5.1 31.4 -1.7 7 17 A V E -ab 34 85A 0 26,-2.6 28,-1.8 -2,-0.5 2,-0.5 -0.920 7.6-169.3-109.8 112.5 8.3 32.0 -3.7 8 18 A L E S+ab 35 86A 0 77,-3.1 79,-2.5 -2,-0.6 28,-0.2 -0.872 78.1 22.4-100.5 129.0 11.6 31.2 -1.9 9 19 A G S > S+ 0 0 10 26,-2.8 3,-0.9 -2,-0.5 6,-0.7 0.874 79.2 167.6 79.0 46.4 14.8 32.4 -3.7 10 20 A S T 3 + 0 0 0 25,-2.1 9,-0.2 -3,-0.5 26,-0.1 0.680 64.1 54.9 -67.8 -22.6 12.6 34.9 -5.6 11 21 A T T 3 S+ 0 0 22 24,-0.3 -1,-0.2 4,-0.2 25,-0.1 0.523 91.8 85.8 -96.9 -9.1 15.5 37.0 -7.0 12 22 A G S <> S- 0 0 37 -3,-0.9 4,-2.4 75,-0.1 5,-0.2 -0.120 99.2 -88.7 -77.3-174.8 17.4 34.1 -8.6 13 23 A S H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.921 127.1 42.9 -66.0 -48.0 16.7 32.8 -12.1 14 24 A I H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.972 115.2 51.6 -62.0 -53.0 14.0 30.2 -11.1 15 25 A G H > S+ 0 0 0 -6,-0.7 4,-2.1 1,-0.2 -2,-0.2 0.873 112.2 43.9 -47.8 -50.6 12.4 32.7 -8.8 16 26 A T H X S+ 0 0 42 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.895 113.6 49.6 -70.8 -40.8 12.1 35.5 -11.3 17 27 A Q H X S+ 0 0 38 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.879 109.0 55.2 -62.6 -36.5 10.9 33.3 -14.1 18 28 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.933 106.6 49.5 -59.7 -48.7 8.3 31.9 -11.6 19 29 A L H X S+ 0 0 19 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.867 107.5 55.1 -57.5 -39.7 7.0 35.5 -10.9 20 30 A Q H X S+ 0 0 100 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.911 108.6 48.1 -60.4 -43.7 6.7 36.1 -14.7 21 31 A V H X S+ 0 0 2 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.894 112.5 48.1 -62.7 -43.3 4.5 33.0 -15.1 22 32 A I H >< S+ 0 0 9 -4,-2.0 3,-0.9 1,-0.2 7,-0.3 0.953 110.6 52.0 -64.9 -47.2 2.3 34.1 -12.1 23 33 A A H 3< S+ 0 0 74 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.805 110.2 48.3 -56.9 -35.6 2.1 37.6 -13.6 24 34 A D H 3< S+ 0 0 108 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.645 117.4 43.2 -77.4 -18.3 0.9 36.2 -17.0 25 35 A N XX + 0 0 34 -4,-0.9 4,-2.2 -3,-0.9 3,-0.7 -0.519 61.2 151.6-128.0 64.4 -1.7 34.0 -15.3 26 36 A P T 34 S+ 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.762 74.7 61.1 -71.3 -21.2 -3.4 36.1 -12.7 27 37 A D T 34 S+ 0 0 144 1,-0.2 -2,-0.1 -3,-0.1 3,-0.1 0.828 115.2 33.5 -65.5 -33.6 -6.6 34.0 -13.1 28 38 A R T <4 S+ 0 0 37 -3,-0.7 -25,-2.3 -6,-0.2 2,-0.3 0.743 122.0 31.0 -93.8 -32.1 -4.6 30.8 -12.0 29 39 A F E < -a 3 0A 1 -4,-2.2 2,-0.3 -7,-0.3 -25,-0.2 -0.925 48.0-169.2-137.7 159.1 -2.1 32.2 -9.5 30 40 A E E -a 4 0A 70 -27,-1.9 -25,-3.2 -2,-0.3 2,-0.4 -0.981 23.7-132.3-146.9 127.8 -1.3 34.7 -6.8 31 41 A V E +a 5 0A 19 -2,-0.3 -25,-0.2 -27,-0.2 3,-0.1 -0.695 31.0 165.2 -76.1 130.8 2.0 35.6 -5.1 32 42 A V E + 0 0 27 -27,-2.4 2,-0.3 -2,-0.4 -26,-0.2 0.286 60.7 17.3-130.1 7.1 1.5 35.7 -1.3 33 43 A G E -a 6 0A 0 -28,-0.8 -26,-2.6 20,-0.1 -1,-0.3 -0.913 54.7-164.4-174.8 148.8 5.1 35.6 -0.0 34 44 A L E -ac 7 56A 0 21,-1.5 23,-2.7 -2,-0.3 2,-0.3 -0.994 2.9-174.6-139.0 146.7 8.8 36.1 -1.1 35 45 A A E +ac 8 57A 2 -28,-1.8 -26,-2.8 -2,-0.3 -25,-2.1 -0.997 9.9 178.4-140.1 139.7 12.1 35.2 0.4 36 46 A A E - c 0 58A 3 21,-1.7 23,-1.8 -2,-0.3 2,-0.7 -0.997 38.1-119.6-141.4 144.1 15.6 36.0 -0.8 37 47 A G > - 0 0 41 -2,-0.3 3,-1.0 21,-0.2 2,-0.1 -0.784 48.6-121.5 -73.4 118.0 19.3 35.6 0.1 38 48 A G G > S+ 0 0 15 -2,-0.7 3,-1.4 1,-0.3 -1,-0.1 0.364 88.5 99.9 -54.8 -3.9 20.0 39.3 0.4 39 49 A A G 3 S+ 0 0 96 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.780 86.1 46.6 -56.4 -32.5 22.7 39.6 -2.3 40 50 A H G X> S+ 0 0 112 -3,-1.0 3,-1.8 1,-0.2 4,-1.3 -0.253 70.8 154.9-107.5 45.9 20.3 41.0 -4.9 41 51 A L H <> + 0 0 120 -3,-1.4 4,-1.8 1,-0.3 5,-0.2 0.781 67.2 58.4 -28.8 -55.8 18.6 43.5 -2.6 42 52 A D H 3> S+ 0 0 92 1,-0.2 4,-1.5 -3,-0.2 -1,-0.3 0.816 103.9 52.1 -55.4 -36.1 17.6 45.8 -5.5 43 53 A T H <> S+ 0 0 20 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.908 105.5 53.7 -71.3 -41.7 15.6 43.1 -7.2 44 54 A L H X S+ 0 0 13 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.922 108.7 48.8 -59.7 -44.7 13.6 42.2 -4.0 45 55 A L H X S+ 0 0 86 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.853 110.6 51.8 -62.8 -38.0 12.4 45.8 -3.6 46 56 A R H X S+ 0 0 119 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.908 110.5 48.4 -61.8 -43.9 11.4 45.9 -7.2 47 57 A Q H X S+ 0 0 12 -4,-2.5 4,-2.5 2,-0.2 6,-0.4 0.851 110.4 50.6 -67.6 -35.9 9.4 42.7 -6.7 48 58 A R H X S+ 0 0 56 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.924 113.9 45.7 -63.4 -45.6 7.7 44.2 -3.6 49 59 A A H < S+ 0 0 84 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.848 118.2 42.3 -65.1 -37.9 6.8 47.3 -5.6 50 60 A Q H < S+ 0 0 155 -4,-2.4 -2,-0.2 1,-0.1 -3,-0.2 0.895 124.4 32.5 -80.0 -43.1 5.6 45.4 -8.6 51 61 A T H < S- 0 0 58 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.691 95.7-133.4 -85.3 -23.0 3.6 42.6 -6.9 52 62 A G < + 0 0 55 -4,-1.8 2,-0.5 -5,-0.3 -4,-0.1 0.453 55.4 146.1 78.9 2.3 2.5 44.7 -3.9 53 63 A V + 0 0 18 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.617 22.7 171.4 -77.7 119.1 3.5 41.8 -1.6 54 64 A T + 0 0 101 -2,-0.5 2,-1.7 -3,-0.1 -1,-0.2 0.637 52.0 101.3 -98.1 -21.2 4.9 43.0 1.8 55 65 A N + 0 0 39 9,-0.1 -21,-1.5 10,-0.1 2,-0.4 -0.468 59.9 154.9 -67.1 86.0 5.0 39.6 3.4 56 66 A I E -c 34 0A 2 -2,-1.7 10,-1.3 -23,-0.2 2,-0.4 -0.935 36.7-156.4-131.8 138.9 8.8 39.1 2.9 57 67 A A E -cd 35 66A 1 -23,-2.7 -21,-1.7 -2,-0.4 2,-0.4 -0.885 6.9-168.9-109.9 143.5 11.7 37.2 4.4 58 68 A V E -cd 36 67A 17 8,-2.8 10,-1.3 -2,-0.4 -21,-0.2 -0.982 13.5-156.8-134.4 121.7 15.4 38.2 4.1 59 69 A A S S+ 0 0 28 -23,-1.8 2,-0.4 -2,-0.4 -22,-0.1 0.319 77.9 61.9 -80.2 8.1 18.2 35.8 5.2 60 70 A D 0 0 115 -24,-0.2 -1,-0.1 1,-0.1 9,-0.1 -0.923 360.0 360.0-143.1 111.2 20.8 38.6 5.8 61 71 A E 0 0 169 -2,-0.4 -1,-0.1 7,-0.1 -2,-0.0 0.975 360.0 360.0 -63.7 360.0 20.5 41.4 8.4 62 ! 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 63 79 A D 0 0 167 0, 0.0 -7,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 6.4 10.2 47.1 6.5 64 80 A I - 0 0 47 1,-0.1 3,-0.3 -9,-0.1 -9,-0.1 -0.620 360.0-165.4 -85.1 115.7 10.9 43.4 6.6 65 81 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 0.629 84.1 43.3 -73.0 -14.4 8.6 41.2 8.7 66 82 A Y E +d 57 0A 37 -10,-1.3 -8,-2.8 2,-0.0 2,-0.3 -0.761 69.9 154.4-137.8 89.1 11.0 38.2 8.6 67 83 A H E +d 58 0A 94 -2,-0.3 2,-0.3 -3,-0.3 -8,-0.2 -0.802 33.1 65.9-107.3 153.5 14.7 39.0 9.0 68 84 A G S S- 0 0 15 -10,-1.3 -7,-0.1 -2,-0.3 -2,-0.0 -0.997 91.3 -62.4 145.8-144.0 17.2 36.5 10.3 69 85 A S S S+ 0 0 95 -2,-0.3 3,-0.2 -9,-0.1 -1,-0.1 0.576 133.4 35.5-120.1 -29.2 19.0 33.2 9.4 70 86 A D S > S+ 0 0 66 -3,-0.1 4,-1.8 1,-0.1 5,-0.1 -0.284 82.3 128.5-112.6 42.2 15.9 31.0 9.3 71 87 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.884 70.5 49.8 -63.0 -43.6 13.8 33.9 7.9 72 88 A A H > S+ 0 0 10 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.872 108.4 54.3 -65.1 -38.1 12.4 31.9 5.0 73 89 A T H > S+ 0 0 14 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.906 107.4 49.4 -63.0 -46.6 11.4 29.1 7.4 74 90 A R H X S+ 0 0 80 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.878 110.5 51.7 -58.1 -42.0 9.4 31.4 9.7 75 91 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 3,-0.3 0.918 108.9 49.8 -62.7 -46.4 7.6 32.9 6.6 76 92 A V H < S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.907 110.3 50.1 -58.0 -46.8 6.6 29.4 5.3 77 93 A E H < S+ 0 0 111 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.773 116.8 41.2 -62.3 -29.2 5.1 28.3 8.7 78 94 A Q H < S+ 0 0 134 -4,-1.2 2,-0.4 -3,-0.3 -1,-0.2 0.798 94.2 87.5 -93.0 -33.8 3.1 31.5 9.1 79 95 A T S < S- 0 0 25 -4,-1.9 2,-0.7 -5,-0.1 -73,-0.1 -0.582 73.3-127.8 -89.2 125.7 1.6 32.1 5.6 80 96 A E + 0 0 144 -2,-0.4 2,-0.3 -48,-0.1 -1,-0.1 -0.558 51.4 157.7 -69.1 108.4 -1.7 30.6 4.4 81 97 A A - 0 0 22 -2,-0.7 -76,-0.2 -5,-0.1 3,-0.1 -0.949 48.7-158.6-140.4 155.8 -0.6 29.0 1.1 82 98 A D S S+ 0 0 52 -78,-1.8 24,-2.4 1,-0.3 2,-0.4 0.732 87.7 23.1 -97.2 -34.8 -1.5 26.3 -1.5 83 99 A V E -be 5 106A 1 -79,-2.3 -77,-2.4 22,-0.2 2,-0.5 -0.999 60.0-160.0-137.4 133.0 2.0 26.0 -3.1 84 100 A V E -be 6 107A 2 22,-3.2 24,-2.8 -2,-0.4 2,-0.7 -0.966 9.1-157.2-108.7 123.5 5.4 26.7 -1.9 85 101 A L E -be 7 108A 0 -79,-3.2 -77,-3.1 -2,-0.5 2,-1.0 -0.894 7.0-162.2 -94.7 112.6 8.1 27.1 -4.6 86 102 A N E +be 8 109A 0 22,-2.0 25,-2.0 -2,-0.7 24,-1.9 -0.794 29.9 150.5 -99.5 94.8 11.5 26.4 -3.0 87 103 A A + 0 0 14 -79,-2.5 -72,-0.2 -2,-1.0 -73,-0.2 0.145 27.6 132.7-108.7 15.2 14.1 27.9 -5.3 88 104 A L - 0 0 10 5,-0.1 2,-0.3 1,-0.1 5,-0.1 -0.334 58.8-114.8 -59.1 147.2 16.6 28.6 -2.5 89 105 A V > - 0 0 108 3,-0.1 3,-0.9 23,-0.1 -1,-0.1 -0.683 58.3 -35.5 -94.6 141.2 20.1 27.4 -3.3 90 106 A G G > S- 0 0 10 -2,-0.3 3,-0.9 1,-0.2 24,-0.1 -0.127 115.6 -9.6 60.1-136.0 22.0 24.7 -1.5 91 107 A A G > S+ 0 0 51 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.642 114.6 78.6 -81.0 -18.1 21.8 24.0 2.3 92 108 A L G < S+ 0 0 97 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.1 0.485 92.2 61.0 -68.8 1.9 19.8 27.1 3.2 93 109 A G G <> S+ 0 0 0 -3,-0.9 4,-1.2 2,-0.1 -1,-0.2 0.443 75.3 82.3-113.4 -3.5 16.8 25.2 1.9 94 110 A L H <> S+ 0 0 8 -3,-1.3 4,-1.8 2,-0.2 5,-0.2 0.925 95.0 45.7 -69.9 -44.7 16.4 22.0 3.9 95 111 A R H > S+ 0 0 114 -4,-0.4 4,-2.2 1,-0.2 5,-0.2 0.905 111.5 52.0 -68.1 -41.3 14.5 23.6 6.8 96 112 A P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.815 107.5 54.8 -62.0 -30.4 12.1 25.5 4.5 97 113 A T H X S+ 0 0 1 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.939 109.7 44.3 -66.0 -50.0 11.3 22.3 2.7 98 114 A L H X S+ 0 0 31 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.885 114.8 49.8 -62.7 -40.3 10.3 20.4 5.9 99 115 A A H X S+ 0 0 8 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.937 110.6 50.5 -61.0 -47.3 8.3 23.5 7.0 100 116 A A H >X>S+ 0 0 1 -4,-2.3 5,-0.7 1,-0.2 4,-0.7 0.945 111.7 47.0 -56.8 -50.7 6.6 23.6 3.6 101 117 A L H ><5S+ 0 0 5 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.861 106.4 58.7 -60.5 -37.0 5.7 19.9 3.8 102 118 A K H 3<5S+ 0 0 181 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.799 100.0 57.8 -63.7 -30.4 4.3 20.3 7.4 103 119 A T H <<5S- 0 0 67 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.720 109.7-125.3 -67.6 -24.2 1.8 22.9 6.2 104 120 A G T <<5 + 0 0 38 -3,-0.9 -3,-0.1 -4,-0.7 -2,-0.1 0.373 64.3 135.6 91.6 -5.8 0.4 20.4 3.8 105 121 A A < - 0 0 6 -5,-0.7 -1,-0.3 1,-0.1 -22,-0.2 -0.328 67.4 -89.3 -70.2 156.0 0.8 22.7 0.8 106 122 A R E -e 83 0A 51 -24,-2.4 -22,-3.2 -3,-0.1 2,-0.7 -0.461 38.1-142.0 -61.4 133.3 2.3 21.4 -2.6 107 123 A L E -ef 84 131A 0 23,-2.9 25,-2.9 -24,-0.2 2,-1.1 -0.909 9.5-163.1-102.8 105.9 6.0 21.8 -2.6 108 124 A A E -ef 85 132A 0 -24,-2.8 -22,-2.0 -2,-0.7 2,-0.6 -0.786 23.1-155.6 -85.5 101.1 7.3 22.8 -6.0 109 125 A L E +ef 86 133A 2 23,-1.5 25,-3.1 -2,-1.1 26,-0.6 -0.738 42.4 148.8 -97.9 115.6 10.9 21.8 -5.5 110 126 A A + 0 0 22 -24,-1.9 2,-2.1 -2,-0.6 -23,-0.2 0.665 66.4 80.5-100.5 -32.3 13.7 23.4 -7.5 111 127 A N > + 0 0 1 -25,-2.0 3,-2.0 1,-0.2 4,-0.5 -0.472 57.0 173.0 -77.4 70.7 16.1 23.0 -4.6 112 128 A K T >> + 0 0 12 -2,-2.1 4,-2.4 1,-0.3 3,-0.5 0.661 67.3 74.8 -61.5 -16.6 16.9 19.3 -5.2 113 129 A E H 3> S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.4 0.802 87.0 60.4 -65.1 -31.4 19.6 19.4 -2.5 114 130 A S H <> S+ 0 0 2 -3,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.833 111.6 40.0 -61.8 -34.8 17.0 19.4 0.2 115 131 A L H <> S+ 0 0 0 -3,-0.5 4,-2.1 -4,-0.5 -2,-0.2 0.869 115.3 49.7 -82.9 -43.7 15.8 16.0 -1.1 116 132 A V H < S+ 0 0 0 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.885 122.2 34.7 -62.5 -41.1 19.2 14.6 -1.8 117 133 A A H < S+ 0 0 3 -4,-2.5 185,-0.4 -5,-0.2 -2,-0.2 0.945 120.1 48.0 -79.2 -48.1 20.4 15.5 1.7 118 134 A G H >< S+ 0 0 0 -4,-1.6 3,-1.7 -5,-0.4 4,-0.3 0.785 79.3 161.9 -64.1 -31.4 17.2 15.0 3.6 119 135 A G T >X S+ 0 0 3 -4,-2.1 4,-1.6 1,-0.3 3,-1.0 -0.135 70.8 1.1 47.8-131.6 16.5 11.6 2.1 120 136 A S H 3> S+ 0 0 23 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.790 128.0 66.8 -57.1 -32.0 14.0 9.5 4.0 121 137 A L H <> S+ 0 0 21 -3,-1.7 4,-0.9 1,-0.2 -1,-0.3 0.915 106.1 40.9 -54.4 -46.4 13.6 12.4 6.5 122 138 A V H <> S+ 0 0 1 -3,-1.0 4,-1.1 -4,-0.3 -1,-0.2 0.859 112.6 55.7 -69.8 -37.2 12.0 14.5 3.7 123 139 A L H < S+ 0 0 63 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.873 104.2 52.7 -65.1 -37.9 10.0 11.5 2.4 124 140 A R H < S+ 0 0 142 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.794 107.7 52.8 -68.2 -30.0 8.3 10.8 5.8 125 141 A A H < S+ 0 0 42 -4,-0.9 -1,-0.2 -5,-0.2 2,-0.2 0.784 101.5 78.2 -73.9 -27.4 7.2 14.4 6.0 126 142 A A < - 0 0 22 -4,-1.1 3,-0.1 -3,-0.3 -24,-0.0 -0.556 67.5-145.6 -91.3 144.7 5.6 14.2 2.5 127 143 A R > - 0 0 187 -2,-0.2 3,-1.4 1,-0.1 4,-0.5 -0.500 50.9 -71.4 -86.0 167.9 2.3 12.8 1.5 128 144 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.476 119.8 8.5 -63.4 132.3 2.0 11.1 -2.0 129 145 A G T 3 S+ 0 0 60 -2,-0.2 -3,-0.0 2,-0.2 -23,-0.0 0.489 96.7 110.4 80.1 6.3 2.1 13.6 -4.8 130 146 A Q < + 0 0 15 -3,-1.4 -23,-2.9 1,-0.1 2,-0.7 0.819 64.0 66.5 -85.8 -32.9 3.0 16.5 -2.5 131 147 A I E -f 107 0A 17 -4,-0.5 -23,-0.2 -25,-0.2 -2,-0.2 -0.834 66.3-177.0 -90.3 115.5 6.5 17.0 -3.8 132 148 A V E -f 108 0A 11 -25,-2.9 -23,-1.5 -2,-0.7 7,-0.1 -0.950 23.4-129.3-117.1 110.5 6.4 18.2 -7.4 133 149 A P E -f 109 0A 12 0, 0.0 -23,-0.2 0, 0.0 -25,-0.1 -0.210 15.7-165.4 -61.7 141.3 9.8 18.6 -9.0 134 150 A V + 0 0 1 -25,-3.1 -24,-0.2 118,-0.1 118,-0.1 0.728 57.3 100.5 -98.1 -27.5 10.7 21.9 -10.8 135 151 A D S > S- 0 0 10 -26,-0.6 4,-1.9 1,-0.1 5,-0.2 -0.173 80.9-119.0 -58.0 155.8 13.8 20.7 -12.8 136 152 A S H > S+ 0 0 23 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.865 107.8 55.3 -69.4 -36.2 13.3 19.9 -16.4 137 153 A E H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.912 111.8 41.9 -64.8 -45.1 14.3 16.2 -16.2 138 154 A H H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.856 112.5 54.5 -75.4 -31.4 11.9 15.3 -13.4 139 155 A S H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.944 110.3 48.1 -59.0 -48.9 9.1 17.3 -15.1 140 156 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.934 111.0 49.7 -54.0 -53.6 9.8 15.3 -18.3 141 157 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.914 109.6 50.6 -53.6 -47.9 9.7 12.0 -16.4 142 158 A A H < S+ 0 0 18 -4,-2.3 4,-0.4 1,-0.2 -1,-0.2 0.901 113.1 47.6 -60.1 -42.3 6.4 12.8 -14.6 143 159 A Q H >< S+ 0 0 3 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.916 112.9 47.1 -63.2 -46.1 4.9 13.7 -18.0 144 160 A C H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.2 -2,-0.2 0.802 101.7 64.9 -68.3 -31.2 6.2 10.5 -19.7 145 161 A L G >< S+ 0 0 40 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.540 81.4 76.4 -73.0 -9.1 5.0 8.2 -16.8 146 162 A R G < S+ 0 0 66 -3,-1.0 -1,-0.3 -4,-0.4 -2,-0.2 0.528 79.0 81.9 -69.1 -4.0 1.5 9.2 -17.7 147 163 A G G < S- 0 0 2 -3,-1.7 2,-0.3 374,-0.1 -1,-0.2 0.230 108.6 -28.3 -85.7 12.5 2.4 6.7 -20.5 148 164 A G S < S- 0 0 26 -3,-1.0 489,-0.1 372,-0.1 5,-0.0 -0.990 76.7 -61.7 174.4-164.3 1.6 3.7 -18.2 149 165 A T > - 0 0 51 -2,-0.3 3,-2.2 1,-0.0 4,-0.4 -0.734 54.2-100.4-103.4 160.7 1.4 2.1 -14.8 150 166 A P G > S+ 0 0 117 0, 0.0 3,-1.3 0, 0.0 -1,-0.0 0.840 121.1 54.4 -50.3 -40.7 4.3 1.6 -12.4 151 167 A D G 3 S+ 0 0 114 1,-0.2 81,-0.0 80,-0.0 -3,-0.0 0.540 98.8 64.2 -75.9 -3.4 4.8 -2.1 -13.3 152 168 A E G < S+ 0 0 7 -3,-2.2 80,-2.8 79,-0.1 2,-0.5 0.503 79.6 106.2 -92.2 -4.4 5.1 -1.2 -17.0 153 169 A V E < +G 231 0B 6 -3,-1.3 78,-0.2 -4,-0.4 3,-0.1 -0.635 35.2 167.2 -81.7 122.2 8.3 0.8 -16.4 154 170 A A E - 0 0 27 76,-2.3 2,-0.3 -2,-0.5 77,-0.2 0.864 68.1 -3.6 -91.6 -57.1 11.5 -0.8 -17.6 155 171 A K E -G 230 0B 84 75,-1.9 75,-2.6 60,-0.0 2,-0.5 -0.998 52.5-141.8-137.8 140.4 14.0 2.1 -17.4 156 172 A L E -Gh 229 215B 0 58,-2.6 60,-2.8 -2,-0.3 2,-0.6 -0.864 25.7-156.4 -88.2 134.7 13.9 5.8 -16.6 157 173 A V E -Gh 228 216B 2 71,-3.0 71,-2.7 -2,-0.5 2,-0.4 -0.909 5.1-163.3-119.8 108.6 16.3 7.5 -18.9 158 174 A L E -Gh 227 217B 0 58,-2.8 60,-2.2 -2,-0.6 2,-0.4 -0.698 12.6-140.1 -86.4 137.1 17.7 10.9 -17.8 159 175 A T E - 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0 0 21 -2,-0.4 -82,-0.2 22,-0.1 3,-0.1 -0.982 49.5-151.4-152.9 157.8 -14.9 -11.6 -28.1 456 98 B D S S+ 0 0 49 -84,-2.0 24,-2.6 -2,-0.3 2,-0.4 0.645 90.0 27.7 -99.1 -26.9 -13.2 -8.8 -26.3 457 99 B V E -ru 373 480D 0 -85,-2.1 -83,-2.5 22,-0.2 2,-0.6 -0.989 59.3-162.2-141.7 128.9 -11.0 -7.7 -29.2 458 100 B V E -ru 374 481D 3 22,-3.0 24,-2.8 -2,-0.4 2,-0.8 -0.953 10.7-158.3-107.8 120.4 -11.4 -7.9 -33.0 459 101 B L E -ru 375 482D 0 -85,-3.7 -83,-3.1 -2,-0.6 2,-1.0 -0.857 8.0-162.1 -95.9 110.3 -8.2 -7.4 -34.9 460 102 B N E +ru 376 483D 0 22,-2.8 24,-2.4 -2,-0.8 25,-1.3 -0.799 30.2 150.4-100.8 100.2 -9.2 -6.3 -38.4 461 103 B A + 0 0 16 -85,-2.7 -78,-0.2 -2,-1.0 -1,-0.1 -0.002 28.1 132.1-113.8 25.0 -6.2 -6.8 -40.7 462 104 B L - 0 0 7 5,-0.1 2,-0.4 4,-0.1 5,-0.1 -0.472 56.2-121.8 -71.4 151.7 -8.3 -7.5 -43.8 463 105 B V > - 0 0 104 -2,-0.1 3,-0.7 22,-0.1 22,-0.1 -0.806 56.4 -29.1-105.9 133.4 -7.2 -5.5 -46.9 464 106 B G G > S- 0 0 28 -2,-0.4 3,-2.3 1,-0.2 4,-0.3 -0.242 118.2 -6.3 73.5-152.8 -9.4 -3.1 -48.8 465 107 B A G > S+ 0 0 62 1,-0.3 3,-1.6 2,-0.2 4,-0.5 0.814 123.8 69.9 -50.5 -37.3 -13.1 -3.0 -49.3 466 108 B L G < S+ 0 0 69 -3,-0.7 -1,-0.3 1,-0.3 -2,-0.2 0.722 91.9 60.9 -53.7 -26.1 -13.3 -6.4 -47.6 467 109 B G G <> S+ 0 0 0 -3,-2.3 4,-1.7 1,-0.1 -1,-0.3 0.690 87.4 73.6 -78.4 -19.7 -12.5 -4.8 -44.3 468 110 B L H <> S+ 0 0 5 -3,-1.6 4,-2.1 -4,-0.3 5,-0.2 0.939 93.7 42.1 -73.3 -54.6 -15.4 -2.4 -44.0 469 111 B R H > S+ 0 0 111 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.888 114.5 53.5 -62.2 -40.1 -18.5 -4.4 -43.1 470 112 B P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.894 106.8 52.7 -62.3 -37.3 -16.5 -6.5 -40.6 471 113 B T H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.949 110.5 47.6 -54.1 -50.9 -15.3 -3.3 -38.9 472 114 B L H X S+ 0 0 37 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.896 112.7 48.1 -61.9 -39.1 -19.0 -2.2 -38.6 473 115 B A H X S+ 0 0 10 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.879 109.9 53.6 -70.5 -33.9 -20.1 -5.5 -37.2 474 116 B A H X>S+ 0 0 1 -4,-2.3 5,-0.7 2,-0.2 4,-0.6 0.941 108.4 48.0 -63.1 -50.6 -17.2 -5.5 -34.7 475 117 B L H ><5S+ 0 0 5 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.903 107.4 57.6 -57.2 -43.6 -18.1 -2.1 -33.3 476 118 B K H 3<5S+ 0 0 179 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.832 99.4 58.8 -56.2 -36.1 -21.8 -3.2 -33.0 477 119 B T H 3<5S- 0 0 65 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.692 110.2-121.5 -68.9 -17.2 -20.7 -6.1 -30.7 478 120 B G T <<5 + 0 0 55 -3,-1.4 -3,-0.1 -4,-0.6 -2,-0.1 0.294 67.0 137.0 91.4 -10.9 -19.2 -3.7 -28.2 479 121 B A < - 0 0 8 -5,-0.7 -1,-0.3 1,-0.1 2,-0.2 -0.176 65.3 -96.8 -60.5 156.9 -15.8 -5.3 -28.5 480 122 B R E -u 457 0D 49 -24,-2.6 -22,-3.0 -3,-0.1 2,-0.6 -0.590 37.9-141.0 -69.3 139.9 -12.6 -3.3 -28.8 481 123 B L E -uv 458 505D 0 23,-2.5 25,-2.8 -2,-0.2 2,-0.9 -0.932 9.6-161.1-109.9 111.1 -11.5 -3.0 -32.4 482 124 B A E -uv 459 506D 0 -24,-2.8 -22,-2.8 -2,-0.6 2,-0.6 -0.846 26.5-154.8 -89.7 109.0 -7.8 -3.2 -33.1 483 125 B L E +uv 460 507D 6 23,-2.0 25,-1.7 -2,-0.9 26,-0.4 -0.793 42.9 145.3-104.6 117.9 -7.9 -1.6 -36.5 484 126 B A + 0 0 28 -24,-2.4 2,-0.6 -2,-0.6 -23,-0.2 0.588 47.3 105.5-113.9 -22.1 -5.3 -2.1 -39.3 485 127 B N > - 0 0 4 -25,-1.3 4,-0.7 1,-0.2 3,-0.5 -0.468 52.4-163.8 -69.1 109.2 -7.7 -1.9 -42.3 486 128 B K H >> S+ 0 0 68 -2,-0.6 4,-2.6 1,-0.2 3,-0.6 0.866 84.4 64.6 -61.2 -40.4 -7.1 1.5 -44.0 487 129 B E H 3>>S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 5,-2.1 0.859 91.0 65.4 -47.1 -46.9 -10.4 1.3 -45.9 488 130 B S H 345S+ 0 0 0 -3,-0.5 8,-0.4 3,-0.2 -1,-0.2 0.899 117.2 22.7 -49.6 -48.8 -12.5 1.5 -42.7 489 131 B L H S+ 0 0 20 184,-0.4 4,-2.3 -3,-0.2 -1,-0.2 0.910 114.9 50.1 -64.7 -41.9 -18.1 8.6 -41.0 495 137 B L H > S+ 0 0 13 -3,-0.3 4,-1.0 2,-0.2 -2,-0.2 0.919 114.5 46.4 -54.4 -45.2 -20.0 5.2 -41.0 496 138 B V H < S+ 0 0 0 -4,-2.7 4,-0.5 -8,-0.4 3,-0.2 0.909 113.1 46.8 -68.5 -45.4 -17.3 3.8 -38.7 497 139 B L H >< S+ 0 0 79 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.857 108.8 55.4 -64.3 -38.6 -17.2 6.8 -36.3 498 140 B R H 3< S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 109.3 49.2 -60.0 -32.3 -21.0 6.8 -36.1 499 141 B A T 3< S+ 0 0 44 -4,-1.0 -1,-0.2 -3,-0.2 2,-0.2 0.568 100.0 85.6 -85.2 -9.3 -20.9 3.2 -35.0 500 142 B A < - 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