==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-NOV-95 1HOT . COMPND 2 MOLECULE: GLUCOSAMINE 6-PHOSPHATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR G.OLIVA,M.L.FONTES,R.GARRATT,M.M.ALTAMIRANO,M.L.CALCAGNO, . 532 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 370 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 10.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 4.5 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 33 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 145 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 0 2 3 1 0 1 2 0 0 3 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 1 3 4 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 . 3 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 87 0, 0.0 2,-0.4 0, 0.0 235,-0.2 0.000 360.0 360.0 360.0 140.5 3.7 -14.9 23.8 2 2 A R E -a 236 0A 77 233,-2.2 235,-2.1 2,-0.0 2,-0.4 -0.894 360.0-165.9-109.3 145.8 5.4 -18.2 24.6 3 3 A L E -a 237 0A 0 -2,-0.4 235,-0.2 233,-0.2 256,-0.2 -0.990 7.3-155.5-134.4 120.8 7.5 -18.5 27.7 4 4 A I E -a 238 0A 0 233,-2.9 235,-2.7 -2,-0.4 2,-1.2 -0.881 9.3-155.9 -99.7 103.0 9.8 -21.6 28.1 5 5 A P E +a 239 0A 15 0, 0.0 235,-0.2 0, 0.0 2,-0.1 -0.678 26.6 162.8 -85.2 95.5 10.4 -22.1 31.8 6 6 A L - 0 0 14 233,-2.8 3,-0.1 -2,-1.2 257,-0.0 -0.432 38.7-128.7-100.0-178.9 13.7 -24.1 32.0 7 7 A T S S+ 0 0 73 233,-0.2 234,-1.9 1,-0.2 2,-0.3 0.864 77.0 30.1-100.2 -44.2 16.0 -24.5 34.9 8 8 A T S > S- 0 0 63 232,-0.2 4,-2.3 233,-0.1 -1,-0.2 -0.787 70.3-118.3-122.2 161.6 19.6 -23.6 33.8 9 9 A A H > S+ 0 0 33 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.841 116.0 59.4 -59.5 -34.1 21.4 -21.3 31.4 10 10 A E H > S+ 0 0 125 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.952 107.6 43.3 -60.9 -50.3 22.8 -24.5 29.8 11 11 A Q H > S+ 0 0 80 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.882 111.4 56.3 -62.4 -40.0 19.2 -25.7 29.0 12 12 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.952 109.7 44.5 -57.0 -49.6 18.3 -22.2 27.8 13 13 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.3 0.850 112.4 51.7 -64.9 -36.2 21.1 -22.2 25.3 14 14 A K H X S+ 0 0 86 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.887 112.4 46.6 -69.0 -35.4 20.3 -25.7 24.2 15 15 A W H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.928 114.5 46.0 -70.5 -47.5 16.7 -24.7 23.6 16 16 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.934 113.7 47.5 -60.4 -50.6 17.4 -21.5 21.8 17 17 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.930 112.7 50.5 -56.9 -47.5 20.1 -23.1 19.5 18 18 A R H X S+ 0 0 92 -4,-1.8 4,-2.4 -5,-0.3 -1,-0.2 0.911 110.5 49.2 -58.6 -43.3 17.7 -25.9 18.7 19 19 A H H X S+ 0 0 19 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.885 112.2 48.0 -66.6 -39.6 14.9 -23.5 17.9 20 20 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.955 111.2 50.2 -65.5 -47.6 17.2 -21.5 15.6 21 21 A V H X S+ 0 0 5 -4,-3.0 4,-3.1 1,-0.2 5,-0.2 0.913 111.0 49.9 -57.6 -41.4 18.5 -24.6 13.9 22 22 A N H X S+ 0 0 94 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.854 110.5 49.1 -66.3 -36.8 14.9 -25.8 13.3 23 23 A R H X S+ 0 0 80 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.960 115.1 44.5 -66.7 -49.7 13.9 -22.4 11.8 24 24 A I H X S+ 0 0 2 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.951 116.7 44.7 -58.7 -53.3 16.8 -22.4 9.5 25 25 A N H < S+ 0 0 79 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.873 114.2 48.5 -61.8 -39.3 16.5 -26.0 8.4 26 26 A A H < S+ 0 0 82 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.795 111.4 52.8 -71.2 -27.0 12.7 -25.8 8.0 27 27 A F H < S- 0 0 35 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.833 90.9-152.9 -76.1 -35.6 13.3 -22.6 5.9 28 28 A K < - 0 0 161 -4,-1.9 -3,-0.1 -5,-0.1 2,-0.1 0.989 18.6-148.4 56.7 67.3 15.8 -24.2 3.5 29 29 A P - 0 0 26 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.352 18.0-173.8 -69.8 145.4 17.7 -20.9 2.7 30 30 A T - 0 0 57 3,-2.3 5,-0.1 35,-0.1 -2,-0.0 -0.657 42.7 -98.8-124.8 179.8 19.3 -20.4 -0.7 31 31 A A S S+ 0 0 69 -2,-0.2 -1,-0.0 1,-0.2 35,-0.0 0.740 127.2 46.1 -74.8 -22.0 21.6 -17.6 -2.0 32 32 A D S S+ 0 0 153 1,-0.3 -1,-0.2 0, 0.0 0, 0.0 0.607 126.4 29.8 -93.0 -15.5 18.5 -16.0 -3.6 33 33 A R S S- 0 0 142 -5,-0.0 -3,-2.3 32,-0.0 -1,-0.3 -0.677 83.5-179.0-146.0 81.0 16.5 -16.4 -0.5 34 34 A P - 0 0 24 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.419 31.6-111.8 -83.0 159.1 18.6 -16.3 2.7 35 35 A F E -b 66 0A 6 30,-1.8 32,-3.0 -2,-0.1 2,-0.6 -0.797 29.6-147.0 -90.7 128.2 17.6 -16.7 6.3 36 36 A V E -b 67 0A 2 -2,-0.5 96,-1.6 94,-0.2 97,-1.3 -0.898 17.0-172.6-102.5 118.0 18.0 -13.3 8.2 37 37 A L E -bc 68 133A 0 30,-2.7 32,-2.4 -2,-0.6 2,-0.4 -0.939 13.1-149.9-115.5 131.0 19.0 -13.7 11.8 38 38 A G E -bc 69 134A 0 95,-2.5 97,-2.6 -2,-0.4 32,-0.2 -0.831 22.5-163.0 -98.6 137.6 19.3 -10.9 14.3 39 39 A L E -b 70 0A 0 30,-3.0 32,-2.2 -2,-0.4 2,-0.2 -0.907 13.3-158.0-131.4 151.7 21.8 -11.3 17.1 40 40 A P - 0 0 3 0, 0.0 2,-0.2 0, 0.0 96,-0.1 -0.553 7.0-151.7-110.2 174.1 22.8 -10.0 20.6 41 41 A T + 0 0 17 -2,-0.2 3,-0.2 47,-0.0 2,-0.2 -0.651 45.1 88.6-132.6-170.1 26.0 -9.9 22.7 42 42 A G S S- 0 0 18 -2,-0.2 4,-0.2 1,-0.2 128,-0.0 -0.488 93.3 -60.9 105.4 179.6 26.5 -9.8 26.4 43 43 A G S > S+ 0 0 30 1,-0.2 3,-1.5 -2,-0.2 4,-0.3 0.872 121.0 72.0 -70.1 -34.8 26.7 -12.6 29.0 44 44 A T T 3 S+ 0 0 24 1,-0.2 3,-0.5 -3,-0.2 4,-0.4 0.831 94.7 46.3 -49.5 -50.8 23.2 -13.9 28.2 45 45 A P T 3> S+ 0 0 1 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.467 82.3 100.0 -79.3 4.0 23.8 -15.5 24.8 46 46 A M H <> S+ 0 0 66 -3,-1.5 4,-2.6 1,-0.2 5,-0.2 0.924 83.3 45.6 -55.0 -50.4 27.0 -17.4 25.6 47 47 A T H > S+ 0 0 26 -3,-0.5 4,-2.4 -4,-0.3 -1,-0.2 0.899 113.3 51.6 -61.9 -37.1 25.4 -20.8 26.2 48 48 A T H > S+ 0 0 0 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.897 110.4 47.7 -66.4 -40.5 23.3 -20.4 23.0 49 49 A Y H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.943 110.7 53.2 -66.0 -42.6 26.5 -19.5 21.0 50 50 A K H X S+ 0 0 126 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.926 111.8 43.9 -55.8 -51.0 28.3 -22.5 22.5 51 51 A A H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.835 111.0 55.3 -66.3 -32.9 25.5 -24.9 21.5 52 52 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.933 107.5 48.3 -66.3 -45.3 25.2 -23.4 18.0 53 53 A V H X S+ 0 0 17 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.942 111.5 52.0 -59.6 -46.0 28.9 -23.9 17.2 54 54 A E H X S+ 0 0 92 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.971 109.8 47.1 -51.1 -64.3 28.6 -27.5 18.5 55 55 A M H <>S+ 0 0 15 -4,-2.4 5,-3.4 1,-0.3 6,-0.5 0.821 112.3 51.1 -49.0 -38.2 25.6 -28.3 16.2 56 56 A H H ><5S+ 0 0 33 -4,-2.2 3,-1.9 4,-0.2 -1,-0.3 0.939 109.7 48.6 -67.3 -46.8 27.4 -26.7 13.3 57 57 A K H 3<5S+ 0 0 153 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.826 108.3 55.6 -60.8 -33.0 30.5 -28.8 13.9 58 58 A A T 3<5S- 0 0 64 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.309 122.2-110.0 -81.0 5.6 28.3 -31.9 14.2 59 59 A G T < 5S+ 0 0 65 -3,-1.9 -3,-0.2 -5,-0.2 -2,-0.1 0.788 83.9 123.9 70.9 29.7 26.9 -31.0 10.7 60 60 A Q S + 0 0 0 -2,-0.4 3,-1.7 1,-0.2 -1,-0.1 0.186 60.7 111.7 -98.5 15.6 25.3 -20.7 8.0 64 64 A K T 3 S+ 0 0 115 1,-0.3 -1,-0.2 35,-0.2 35,-0.0 0.847 89.8 32.1 -56.2 -35.0 26.5 -20.6 4.4 65 65 A H T 3 S+ 0 0 58 -3,-0.4 -30,-1.8 -36,-0.1 2,-0.4 -0.098 96.7 105.9-118.2 37.9 23.1 -19.1 3.5 66 66 A V E < -b 35 0A 0 -3,-1.7 2,-0.5 -32,-0.2 -30,-0.2 -0.955 51.6-155.9-119.7 130.6 22.3 -17.1 6.6 67 67 A V E -b 36 0A 1 -32,-3.0 -30,-2.7 -2,-0.4 2,-0.3 -0.928 16.4-155.1-104.4 128.8 22.6 -13.3 6.8 68 68 A T E -bd 37 104A 0 35,-2.6 37,-1.2 -2,-0.5 2,-0.4 -0.807 14.6-172.6-110.2 150.9 23.1 -11.8 10.2 69 69 A F E -bd 38 105A 1 -32,-2.4 -30,-3.0 -2,-0.3 2,-0.3 -0.994 16.5-144.9-135.7 130.8 22.3 -8.4 11.8 70 70 A N E -b 39 0A 0 35,-1.2 3,-0.1 -2,-0.4 -32,-0.0 -0.740 13.2-130.5 -96.2 154.0 23.4 -7.4 15.2 71 71 A M S S- 0 0 10 -32,-2.2 117,-2.1 -2,-0.3 2,-0.3 0.892 72.9 -14.1 -68.5 -46.3 21.3 -5.2 17.5 72 72 A D E -G 187 0B 6 115,-0.2 2,-0.3 73,-0.1 115,-0.2 -0.876 48.7-155.7-150.2 179.6 23.8 -2.6 18.7 73 73 A E E -G 186 0B 9 113,-2.0 113,-2.7 -2,-0.3 2,-0.2 -0.951 33.2 -99.3-163.8 146.0 27.4 -1.5 19.0 74 74 A Y E > -G 185 0B 4 -2,-0.3 3,-0.7 111,-0.2 2,-0.4 -0.483 36.2-124.3 -71.2 141.6 29.4 0.8 21.2 75 75 A V T 3 S+ 0 0 28 109,-2.6 109,-0.4 1,-0.2 35,-0.2 -0.730 89.2 6.8 -89.7 131.1 30.1 4.3 19.9 76 76 A G T 3 S+ 0 0 50 33,-1.9 -1,-0.2 -2,-0.4 34,-0.1 0.653 91.0 129.5 75.7 16.5 33.8 5.3 19.9 77 77 A L < - 0 0 16 -3,-0.7 -1,-0.3 4,-0.0 32,-0.1 -0.896 66.3-111.2-104.1 128.7 35.2 1.9 20.8 78 78 A P > - 0 0 61 0, 0.0 3,-2.1 0, 0.0 6,-0.2 -0.392 20.6-127.1 -59.7 136.3 37.9 0.7 18.5 79 79 A K T 3 S+ 0 0 71 1,-0.3 8,-0.2 7,-0.1 5,-0.1 0.776 108.9 54.2 -53.9 -31.6 36.8 -2.3 16.5 80 80 A E T 3 S+ 0 0 155 6,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.506 78.2 116.0 -84.3 -4.5 39.8 -4.3 17.6 81 81 A H S X S- 0 0 56 -3,-2.1 3,-2.6 1,-0.1 6,-0.3 -0.485 73.8-128.4 -64.4 130.1 39.1 -3.7 21.3 82 82 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 9,-0.1 0.821 107.7 50.5 -49.0 -36.1 38.4 -7.2 22.8 83 83 A E T 3 S+ 0 0 57 4,-0.1 2,-0.1 90,-0.1 -2,-0.1 0.363 81.0 112.4 -85.4 2.7 35.1 -5.8 24.3 84 84 A S S <> S- 0 0 1 -3,-2.6 4,-2.3 -6,-0.2 3,-0.2 -0.460 77.9-121.3 -71.2 150.8 33.7 -4.2 21.1 85 85 A Y H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.854 114.4 58.7 -63.4 -29.2 30.6 -6.0 19.9 86 86 A Y H > S+ 0 0 96 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.910 108.0 46.1 -63.1 -43.4 32.4 -6.7 16.6 87 87 A S H > S+ 0 0 10 -6,-0.3 4,-3.0 -8,-0.2 3,-0.4 0.933 110.6 53.2 -63.6 -48.8 35.1 -8.5 18.6 88 88 A F H X S+ 0 0 21 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.927 108.5 49.1 -51.6 -52.9 32.5 -10.4 20.7 89 89 A M H X>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 4,-0.8 0.778 116.0 42.1 -62.3 -30.4 30.7 -11.8 17.7 90 90 A H H <>S+ 0 0 39 -4,-1.3 5,-2.1 -3,-0.4 6,-0.3 0.914 115.9 47.7 -82.4 -43.6 33.8 -13.0 15.9 91 91 A R H <5S+ 0 0 130 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.934 123.9 31.4 -62.0 -47.8 35.4 -14.5 19.0 92 92 A N H <5S- 0 0 33 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.544 139.0 -5.5 -92.5 -8.6 32.3 -16.3 20.1 93 93 A F T >X5S+ 0 0 0 -4,-0.8 3,-1.8 -5,-0.3 4,-0.6 0.436 117.0 56.5-146.3 -66.6 30.5 -17.2 16.9 94 94 A F G >4 - 0 0 28 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.486 18.2-127.9 -68.0 140.8 30.3 -15.8 4.4 101 101 A A G > S+ 0 0 83 1,-0.3 3,-1.2 2,-0.2 -2,-0.0 0.804 110.8 58.3 -59.3 -30.3 31.9 -12.5 5.4 102 102 A E G 3 S+ 0 0 144 1,-0.2 -1,-0.3 3,-0.0 -35,-0.0 0.553 98.3 63.1 -76.4 -7.7 29.6 -10.6 3.1 103 103 A N G < S+ 0 0 22 -3,-2.1 -35,-2.6 -36,-0.1 2,-0.5 0.357 85.2 91.9 -95.8 2.1 26.7 -12.2 5.0 104 104 A I E < -d 68 0A 32 -3,-1.2 2,-0.5 -37,-0.2 -35,-0.1 -0.859 54.4-169.4-105.5 129.9 27.6 -10.4 8.3 105 105 A N E +d 69 0A 12 -37,-1.2 -35,-1.2 -2,-0.5 2,-0.3 -0.968 12.7 162.2-122.8 126.4 26.2 -7.0 9.3 106 106 A L - 0 0 35 -2,-0.5 2,-0.3 -37,-0.2 -33,-0.1 -0.965 38.3-111.8-139.4 147.0 27.4 -4.9 12.2 107 107 A L - 0 0 5 -2,-0.3 2,-1.0 -35,-0.2 -21,-0.1 -0.638 27.0-128.9 -79.5 140.3 26.9 -1.3 13.1 108 108 A N > - 0 0 56 -2,-0.3 3,-1.9 1,-0.1 9,-0.1 -0.777 19.4-172.1 -94.2 99.6 30.0 0.9 12.9 109 109 A G T 3 S+ 0 0 5 -2,-1.0 -33,-1.9 1,-0.3 -1,-0.1 0.527 87.2 56.3 -67.7 -6.1 30.2 2.8 16.2 110 110 A N T 3 S+ 0 0 70 -35,-0.2 -1,-0.3 -34,-0.1 -35,-0.1 0.024 75.4 139.9-110.5 19.8 33.1 4.8 14.7 111 111 A A < - 0 0 11 -3,-1.9 3,-0.3 1,-0.2 4,-0.0 -0.495 51.9-142.3 -66.6 130.8 31.0 6.0 11.7 112 112 A P S S+ 0 0 137 0, 0.0 2,-0.7 0, 0.0 -1,-0.2 0.857 97.3 45.2 -64.2 -33.9 31.8 9.6 11.0 113 113 A D S > S- 0 0 96 1,-0.2 4,-2.5 2,-0.1 3,-0.2 -0.815 71.4-174.6-113.8 90.4 28.2 10.3 10.1 114 114 A I H > S+ 0 0 48 -2,-0.7 4,-2.3 -3,-0.3 5,-0.2 0.900 84.4 49.0 -49.3 -48.9 26.1 8.6 12.9 115 115 A D H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.892 111.1 50.1 -61.2 -41.0 22.8 9.3 11.2 116 116 A A H > S+ 0 0 26 2,-0.2 4,-2.6 -3,-0.2 5,-0.2 0.907 109.5 52.1 -63.0 -43.6 24.0 8.0 7.8 117 117 A E H X S+ 0 0 30 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.954 112.2 44.5 -56.6 -54.9 25.3 4.8 9.5 118 118 A C H X S+ 0 0 3 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.875 113.9 49.2 -60.2 -41.8 21.9 4.1 11.2 119 119 A R H X S+ 0 0 171 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.926 111.4 48.8 -64.6 -47.1 19.8 4.9 8.1 120 120 A Q H X S+ 0 0 107 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.873 107.6 56.6 -60.5 -37.3 22.0 2.7 5.9 121 121 A Y H X S+ 0 0 11 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.912 109.4 44.7 -61.4 -42.8 21.7 -0.1 8.4 122 122 A E H X S+ 0 0 36 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.873 112.0 53.1 -68.5 -36.9 17.9 0.1 8.2 123 123 A E H X S+ 0 0 91 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.886 105.8 54.6 -66.0 -34.7 18.1 0.2 4.4 124 124 A K H X S+ 0 0 78 -4,-2.6 4,-0.6 2,-0.2 -1,-0.2 0.869 108.4 47.5 -66.2 -40.2 20.3 -2.9 4.5 125 125 A I H >X S+ 0 0 16 -4,-1.5 3,-1.1 1,-0.2 4,-0.8 0.939 110.9 52.8 -65.9 -45.2 17.6 -4.9 6.4 126 126 A R H >< S+ 0 0 198 -4,-2.2 3,-1.2 1,-0.3 -2,-0.2 0.890 99.7 61.1 -57.5 -41.9 14.9 -3.7 4.1 127 127 A S H 3< S+ 0 0 86 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.764 108.6 45.3 -59.2 -25.5 16.8 -4.9 1.0 128 128 A Y H << S- 0 0 76 -3,-1.1 2,-0.9 -4,-0.6 -1,-0.3 0.603 112.2-127.1 -90.9 -17.2 16.6 -8.4 2.4 129 129 A G << - 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0 0 11 21,-2.6 -15,-0.0 -2,-0.6 -16,-0.0 -0.370 22.4-115.2 -68.3 138.0 23.5 4.7 27.9 163 163 A T > - 0 0 38 1,-0.1 4,-2.0 -2,-0.1 5,-0.2 -0.334 25.9-116.9 -64.6 152.6 21.9 4.8 31.4 164 164 A H H > S+ 0 0 116 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 115.5 52.5 -60.7 -40.1 24.3 5.0 34.3 165 165 A D H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.867 105.3 53.5 -63.8 -40.0 23.1 1.7 35.6 166 166 A T H > S+ 0 0 6 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.929 110.4 48.9 -61.1 -43.3 23.7 -0.1 32.2 167 167 A R H X S+ 0 0 30 -4,-2.0 4,-1.3 2,-0.2 -2,-0.2 0.925 111.1 47.9 -62.5 -46.4 27.3 1.2 32.2 168 168 A V H < S+ 0 0 65 -4,-2.3 3,-0.3 1,-0.2 4,-0.2 0.911 113.6 49.9 -59.9 -42.0 27.9 0.0 35.8 169 169 A A H >< S+ 0 0 35 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.906 112.8 45.4 -63.7 -42.0 26.4 -3.3 34.8 170 170 A N H >< S+ 0 0 21 -4,-2.7 3,-1.7 1,-0.2 4,-0.4 0.631 86.2 89.6 -79.3 -10.4 28.6 -3.5 31.7 171 171 A S G ><> + 0 0 11 -4,-1.3 5,-2.4 -3,-0.3 3,-1.0 0.696 68.6 83.1 -60.7 -12.9 31.7 -2.5 33.7 172 172 A R G X 5S+ 0 0 142 -3,-0.9 3,-0.6 1,-0.3 -1,-0.3 0.922 93.5 43.8 -51.7 -48.0 32.1 -6.2 34.2 173 173 A F G < 5S+ 0 0 67 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.551 107.9 59.6 -78.5 -9.6 33.7 -6.4 30.8 174 174 A F G X 5S- 0 0 7 -3,-1.0 3,-2.2 -4,-0.4 -1,-0.3 -0.315 127.0 -91.2-114.3 46.2 35.9 -3.4 31.4 175 175 A D T < 5S- 0 0 153 -3,-0.6 -3,-0.2 1,-0.3 -2,-0.2 0.872 80.7 -62.4 46.0 43.3 37.6 -4.8 34.5 176 176 A N T 3 S+ 0 0 24 -2,-0.7 3,-1.5 1,-0.3 -1,-0.2 0.846 86.2 67.3 -58.1 -32.9 32.5 2.3 34.7 179 179 A N G 3 S+ 0 0 136 1,-0.3 -1,-0.3 -3,-0.1 4,-0.1 0.668 99.2 51.8 -63.5 -17.0 34.7 5.1 33.4 180 180 A Q G < S+ 0 0 113 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.568 85.5 99.1 -95.5 -12.2 35.9 2.8 30.7 181 181 A V S < S- 0 0 3 -3,-1.5 -14,-0.1 -4,-0.5 -10,-0.1 -0.624 85.3-107.6 -79.1 127.8 32.4 1.8 29.4 182 182 A P - 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0 0 6 -67,-0.3 -64,-2.8 -66,-0.2 2,-0.5 -0.998 67.4-156.8-145.9 139.7 -2.5 -16.8 68.4 466 199 B V E -op 401 502E 0 35,-2.4 37,-3.0 -2,-0.3 2,-0.5 -0.979 6.2-172.6-122.8 124.6 -4.6 -16.4 65.2 467 200 B M E -op 402 503E 0 -66,-2.7 -64,-2.0 -2,-0.5 2,-0.5 -0.972 5.9-168.7-118.4 116.1 -5.0 -19.2 62.7 468 201 B I E -op 403 504E 0 35,-2.9 37,-2.8 -2,-0.5 2,-0.5 -0.907 10.2-148.7-106.7 128.5 -6.8 -18.4 59.4 469 202 B L E - p 0 505E 1 -66,-2.4 2,-0.5 -2,-0.5 -64,-0.4 -0.853 11.5-166.3 -97.2 130.1 -7.9 -21.2 57.1 470 203 B V E + p 0 506E 0 35,-3.2 37,-1.5 -2,-0.5 2,-0.4 -0.965 12.8 169.8-121.7 117.3 -7.9 -20.3 53.4 471 204 B L + 0 0 28 -2,-0.5 3,-0.1 -66,-0.2 -66,-0.1 -0.987 37.1 14.6-133.0 126.3 -9.7 -22.6 51.0 472 205 B G S > S- 0 0 21 -2,-0.4 3,-1.3 1,-0.1 35,-0.1 0.048 78.4 -84.3 103.8 157.2 -10.6 -22.1 47.3 473 206 B S G > S+ 0 0 84 1,-0.3 3,-1.9 2,-0.2 4,-0.4 0.779 118.1 70.2 -66.6 -29.2 -9.8 -19.9 44.3 474 207 B Q G 3 S+ 0 0 130 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.719 99.5 49.0 -61.5 -20.8 -12.4 -17.4 45.5 475 208 B K G <> S+ 0 0 27 -3,-1.3 4,-2.4 1,-0.2 -1,-0.3 0.305 81.2 100.3-101.8 6.1 -10.0 -16.5 48.3 476 209 B A H <> S+ 0 0 6 -3,-1.9 4,-1.6 1,-0.2 37,-0.2 0.873 84.6 45.0 -63.0 -39.5 -6.9 -16.1 46.1 477 210 B L H > S+ 0 0 93 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.2 0.894 112.7 51.6 -71.4 -36.9 -7.0 -12.3 46.0 478 211 B A H > S+ 0 0 0 -4,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.887 109.0 51.0 -65.6 -41.0 -7.7 -12.1 49.7 479 212 B L H X S+ 0 0 2 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.887 110.5 48.8 -65.0 -39.8 -4.7 -14.4 50.4 480 213 B Q H X>S+ 0 0 54 -4,-1.6 4,-2.8 2,-0.2 5,-1.0 0.890 110.8 50.8 -66.5 -39.7 -2.4 -12.2 48.3 481 214 B A H X5S+ 0 0 10 -4,-2.1 4,-0.9 3,-0.2 -2,-0.2 0.919 113.0 46.5 -62.0 -45.6 -3.7 -9.0 50.0 482 215 B A H <5S+ 0 0 1 -4,-2.3 -2,-0.2 2,-0.1 -1,-0.2 0.905 125.2 28.3 -63.7 -47.8 -2.9 -10.6 53.4 483 216 B V H <5S+ 0 0 30 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.890 137.1 20.7 -83.9 -45.5 0.5 -11.9 52.6 484 217 B E H <5S+ 0 0 55 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.594 106.0 84.4-103.9 -13.6 1.8 -9.5 50.0 485 218 B G S < S- 0 0 77 -3,-0.3 3,-2.7 1,-0.1 -3,-0.4 -0.797 76.4-176.5-121.3 82.5 -8.9 -5.9 53.4 492 225 B T G > S+ 0 0 0 -2,-0.5 3,-2.2 -3,-0.4 -82,-0.2 0.715 75.3 76.4 -56.5 -21.0 -9.0 -6.3 57.2 493 226 B I G > S+ 0 0 2 -84,-1.8 3,-1.6 1,-0.3 -1,-0.3 0.763 79.7 74.4 -62.3 -19.8 -7.3 -9.6 56.9 494 227 B S G X S+ 0 0 0 -3,-2.7 3,-2.1 -6,-0.3 -1,-0.3 0.673 72.6 83.6 -66.8 -15.6 -4.1 -7.5 56.4 495 228 B C G X S+ 0 0 0 -3,-2.2 3,-1.8 1,-0.3 -1,-0.3 0.698 71.0 78.0 -61.0 -19.7 -4.2 -6.7 60.1 496 229 B L G X S+ 0 0 3 -3,-1.6 3,-1.2 1,-0.3 -1,-0.3 0.693 76.6 73.3 -65.4 -14.9 -2.4 -10.0 60.6 497 230 B Q G < S+ 0 0 80 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.673 97.8 48.4 -70.0 -17.8 0.8 -8.3 59.6 498 231 B L G < S+ 0 0 108 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.332 92.5 100.9 -99.5 -1.2 0.7 -6.5 62.9 499 232 B H < - 0 0 18 -3,-1.2 3,-0.4 -4,-0.2 -37,-0.1 -0.729 63.4-149.2 -91.3 135.6 0.1 -9.8 64.9 500 233 B P S S+ 0 0 125 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.724 91.7 32.8 -73.5 -21.8 3.0 -11.5 66.7 501 234 B K S S+ 0 0 84 -38,-0.2 -35,-2.4 2,-0.0 2,-0.4 -0.683 77.6 147.3-138.6 80.8 1.6 -15.0 66.3 502 235 B A E - p 0 466E 7 -3,-0.4 -233,-2.2 -2,-0.3 2,-0.4 -0.957 20.5-172.5-119.5 138.9 -0.4 -15.5 63.0 503 236 B I E -kp 269 467E 3 -37,-3.0 -35,-2.9 -2,-0.4 2,-0.5 -0.988 7.4-162.6-130.0 135.6 -0.7 -18.7 60.9 504 237 B M E -kp 270 468E 2 -235,-2.2 -233,-3.4 -2,-0.4 2,-0.6 -0.984 6.8-164.1-118.5 120.5 -2.4 -19.1 57.5 505 238 B V E -kp 271 469E 0 -37,-2.8 -35,-3.2 -2,-0.5 2,-0.3 -0.944 19.8-179.0-107.4 121.5 -3.3 -22.6 56.5 506 239 B C E -kp 272 470E 0 -235,-2.8 -233,-2.8 -2,-0.6 -35,-0.2 -0.847 25.9-141.6-126.7 154.9 -4.1 -22.9 52.7 507 240 B D - 0 0 16 -37,-1.5 4,-0.5 -2,-0.3 3,-0.4 -0.487 46.2 -89.2 -97.3-179.6 -5.1 -25.3 50.1 508 241 B E S > S+ 0 0 84 -234,-2.0 3,-1.5 1,-0.2 4,-0.2 0.908 117.3 48.4 -61.1 -54.8 -3.6 -25.2 46.5 509 242 B P G > S+ 0 0 48 0, 0.0 3,-1.0 0, 0.0 -1,-0.2 0.739 101.4 66.4 -64.2 -17.9 -5.9 -22.9 44.5 510 243 B S G 3 S+ 0 0 0 -3,-0.4 3,-0.4 1,-0.2 -31,-0.2 0.721 96.6 56.3 -74.4 -16.4 -5.9 -20.2 47.2 511 244 B T G X S+ 0 0 6 -3,-1.5 3,-1.5 -4,-0.5 -262,-0.3 0.358 74.4 104.7 -95.9 6.0 -2.1 -19.6 46.6 512 245 B M T < S+ 0 0 30 -3,-1.0 -262,-2.0 1,-0.3 -261,-0.3 0.652 78.2 49.2 -63.5 -18.3 -2.5 -18.9 42.9 513 246 B E T 3 S+ 0 0 27 -3,-0.4 -1,-0.3 -37,-0.2 -2,-0.1 0.399 90.6 100.3-101.0 0.1 -2.0 -15.1 43.2 514 247 B L S < S- 0 0 0 -3,-1.5 -265,-2.6 1,-0.1 -264,-0.3 -0.332 82.3 -97.5 -78.7 168.4 1.1 -15.2 45.3 515 248 B K B > -J 248 0D 52 -267,-0.3 4,-2.3 1,-0.1 5,-0.3 -0.568 26.9-119.9 -84.1 153.1 4.6 -14.8 43.8 516 249 B V H > S+ 0 0 20 -269,-2.7 4,-2.6 -272,-0.3 5,-0.2 0.952 116.9 49.9 -56.4 -48.5 6.6 -17.8 42.9 517 250 B K H > S+ 0 0 87 -272,-2.1 4,-2.6 -270,-0.2 -1,-0.2 0.879 107.7 54.2 -59.6 -39.2 9.3 -16.7 45.4 518 251 B T H > S+ 0 0 21 -273,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.960 113.9 39.7 -59.8 -51.8 6.7 -16.1 48.2 519 252 B L H X S+ 0 0 26 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.838 112.9 57.2 -68.0 -33.0 5.3 -19.7 47.9 520 253 B R H X S+ 0 0 118 -4,-2.6 4,-2.1 -5,-0.3 5,-0.2 0.967 106.4 49.7 -60.3 -53.2 8.8 -21.1 47.4 521 254 B Y H X S+ 0 0 132 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.937 114.0 43.4 -50.8 -57.2 9.9 -19.6 50.7 522 255 B F H X S+ 0 0 21 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.873 108.2 59.9 -60.3 -38.3 7.0 -20.9 52.7 523 256 B N H X S+ 0 0 69 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.922 109.3 42.1 -58.3 -46.2 7.2 -24.4 51.1 524 257 B E H < S+ 0 0 118 -4,-2.1 4,-0.4 2,-0.2 -1,-0.2 0.835 112.6 54.1 -73.1 -29.7 10.7 -25.0 52.3 525 258 B L H < S+ 0 0 85 -4,-1.7 4,-0.3 -5,-0.2 3,-0.2 0.939 119.0 33.8 -66.1 -46.0 10.0 -23.5 55.7 526 259 B E H X S+ 0 0 9 -4,-2.7 4,-1.1 -256,-0.2 5,-0.3 0.483 86.5 110.4 -90.0 -0.7 7.1 -25.9 56.3 527 260 B A H >X S+ 0 0 27 -4,-1.0 3,-1.3 1,-0.3 4,-1.1 0.865 88.5 33.4 -37.6 -65.7 8.5 -28.8 54.3 528 261 B E H 34 S+ 0 0 146 -4,-0.4 3,-0.4 1,-0.3 4,-0.4 0.881 114.9 63.1 -61.9 -37.5 9.1 -31.1 57.4 529 262 B N H 34 S+ 0 0 77 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.564 110.8 34.3 -65.9 -13.8 6.0 -29.5 59.0 530 263 B I H X< S+ 0 0 38 -3,-1.3 3,-1.7 -4,-1.1 -1,-0.2 0.495 91.5 88.1-118.3 -9.8 3.6 -30.8 56.4 531 264 B K T 3< + 0 0 133 -4,-1.1 -2,-0.1 -3,-0.4 -3,-0.1 0.637 63.9 91.2 -65.3 -11.4 5.2 -34.1 55.5 532 265 B G T 3 0 0 55 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.747 360.0 360.0 -53.7 -25.8 3.1 -35.6 58.3 533 266 B L < 0 0 172 -3,-1.7 -1,-0.2 -255,-0.0 -2,-0.0 -0.351 360.0 360.0 72.9 360.0 0.5 -36.3 55.6