==== 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 ISOMERASE 05-MAR-99 1CD5 . COMPND 2 MOLECULE: PROTEIN (GLUCOSAMINE 6-PHOSPHATE DEAMINASE); . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.HORJALES,M.M.ALTAMIRANO,M.L.CALCAGNO,R.C.GARRATT,G.OLIVA . 266 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12333.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 67.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 3.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 26.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 0 0 3 0 1 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 1 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 . 0 0 1 1 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 1 0 0 0 1 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 83 0, 0.0 2,-0.4 0, 0.0 235,-0.2 0.000 360.0 360.0 360.0 133.0 76.7 29.8 16.1 2 2 A R E -a 236 0A 74 233,-1.8 235,-2.6 2,-0.0 2,-0.4 -0.834 360.0-162.6-104.7 146.9 80.0 28.2 17.1 3 3 A L E -a 237 0A 0 -2,-0.4 235,-0.2 233,-0.2 256,-0.1 -0.999 3.6-160.5-126.5 124.8 81.9 29.1 20.2 4 4 A I E -a 238 0A 0 233,-2.5 235,-2.6 -2,-0.4 2,-0.7 -0.926 10.9-156.9-108.0 101.1 85.6 28.1 20.3 5 5 A P E +a 239 0A 10 0, 0.0 2,-0.2 0, 0.0 235,-0.2 -0.739 24.7 160.7 -84.9 112.8 86.7 28.2 24.0 6 6 A L - 0 0 13 233,-2.4 3,-0.1 -2,-0.7 250,-0.0 -0.715 39.3-128.2-122.3 177.0 90.4 28.6 24.3 7 7 A T S S+ 0 0 74 233,-0.3 234,-2.2 -2,-0.2 2,-0.3 0.932 77.4 32.0 -95.1 -52.7 92.7 29.7 27.0 8 8 A T > - 0 0 53 232,-0.2 4,-2.1 233,-0.1 3,-0.3 -0.731 69.3-120.5-112.1 162.5 95.0 32.5 25.7 9 9 A A H > S+ 0 0 25 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.864 116.3 59.6 -59.7 -38.1 95.0 35.3 23.2 10 10 A E H > S+ 0 0 118 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 106.7 44.6 -59.0 -41.7 97.9 33.6 21.5 11 11 A Q H > S+ 0 0 39 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.855 110.4 54.8 -71.6 -38.0 95.7 30.5 20.9 12 12 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.964 109.4 47.9 -58.7 -49.3 92.8 32.6 19.8 13 13 A G H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.873 113.1 47.9 -59.6 -41.4 95.1 34.2 17.2 14 14 A K H X S+ 0 0 87 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.897 112.8 47.1 -67.4 -42.0 96.4 30.8 16.0 15 15 A W H X S+ 0 0 7 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.932 115.7 46.0 -64.4 -45.6 93.0 29.2 15.7 16 16 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.928 112.4 49.4 -62.7 -48.0 91.6 32.3 13.8 17 17 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.924 111.5 49.9 -59.2 -44.9 94.6 32.5 11.5 18 18 A R H X S+ 0 0 70 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.865 109.4 51.8 -63.1 -35.9 94.3 28.8 10.7 19 19 A H H X S+ 0 0 14 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.908 110.4 47.4 -67.9 -41.4 90.6 29.2 10.0 20 20 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.943 112.6 50.3 -64.0 -45.0 91.2 32.0 7.6 21 21 A V H X S+ 0 0 3 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.917 110.8 47.2 -60.7 -45.8 94.0 30.1 5.8 22 22 A N H X S+ 0 0 87 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.863 111.2 52.9 -64.4 -36.3 91.9 26.9 5.4 23 23 A R H X S+ 0 0 95 -4,-1.8 4,-1.3 -5,-0.2 -1,-0.2 0.920 113.5 42.4 -64.8 -44.8 89.0 29.0 4.1 24 24 A I H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 3,-0.5 0.969 115.0 49.5 -65.7 -54.6 91.3 30.6 1.5 25 25 A N H < S+ 0 0 79 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.805 112.1 47.5 -57.3 -32.4 93.0 27.4 0.5 26 26 A A H < S+ 0 0 67 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.791 110.1 54.6 -79.0 -27.0 89.8 25.5 0.1 27 27 A F H < S- 0 0 38 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.833 90.8-152.1 -73.5 -33.6 88.4 28.4 -2.0 28 28 A K < - 0 0 144 -4,-2.0 -3,-0.1 1,-0.1 2,-0.1 0.996 19.3-152.5 56.2 68.3 91.3 28.4 -4.5 29 29 A P - 0 0 26 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.372 16.4-174.8 -73.4 153.3 91.1 32.1 -5.3 30 30 A T - 0 0 61 3,-2.1 5,-0.0 35,-0.1 -2,-0.0 -0.805 44.6 -92.2-135.3 177.0 92.2 33.5 -8.7 31 31 A A S S+ 0 0 73 -2,-0.3 -1,-0.0 1,-0.2 0, 0.0 0.851 129.4 42.2 -62.9 -34.4 92.5 36.9 -10.3 32 32 A D S S+ 0 0 156 1,-0.3 -1,-0.2 -3,-0.0 33,-0.0 0.735 126.5 32.0 -83.8 -25.5 89.0 36.5 -11.6 33 33 A R S S+ 0 0 117 -5,-0.1 -3,-2.1 2,-0.0 -1,-0.3 -0.709 82.2 178.9-133.8 80.1 87.6 35.0 -8.5 34 34 A P - 0 0 21 0, 0.0 2,-0.6 0, 0.0 32,-0.2 -0.354 33.5-112.9 -78.9 162.9 89.4 36.4 -5.5 35 35 A F E -b 66 0A 5 30,-2.0 32,-2.5 -2,-0.1 2,-0.5 -0.874 31.2-146.0 -96.3 121.0 88.7 35.6 -1.8 36 36 A V E -b 67 0A 1 -2,-0.6 96,-1.9 94,-0.3 97,-1.2 -0.868 16.4-169.9 -94.2 125.0 87.3 38.7 -0.1 37 37 A L E -bc 68 133A 0 30,-3.0 32,-2.0 -2,-0.5 2,-0.4 -0.940 12.9-149.4-118.3 131.5 88.3 39.2 3.6 38 38 A G E -bc 69 134A 0 95,-3.1 97,-2.2 -2,-0.4 32,-0.2 -0.831 25.6-171.4 -98.3 140.2 86.8 41.8 6.0 39 39 A L E -b 70 0A 0 30,-2.5 32,-2.3 -2,-0.4 2,-0.2 -0.958 16.6-153.0-138.8 153.5 89.3 42.9 8.7 40 40 A P - 0 0 4 0, 0.0 2,-0.2 0, 0.0 96,-0.1 -0.641 10.8-142.9-114.1 172.2 89.5 44.9 11.9 41 41 A T + 0 0 19 -2,-0.2 3,-0.2 3,-0.0 2,-0.1 -0.587 51.0 73.7-120.3-174.7 92.3 46.9 13.7 42 42 A G S S- 0 0 30 -2,-0.2 4,-0.4 1,-0.2 0, 0.0 -0.366 95.6 -56.7 99.4 179.8 93.2 47.3 17.4 43 43 A G S > S+ 0 0 56 1,-0.2 3,-1.2 2,-0.2 4,-0.4 0.835 119.6 72.3 -69.6 -32.7 94.7 45.0 19.9 44 44 A T T 3 S+ 0 0 34 1,-0.3 3,-0.5 -3,-0.2 4,-0.3 0.913 101.6 40.5 -51.7 -52.7 92.2 42.2 19.6 45 45 A P T >> S+ 0 0 1 0, 0.0 4,-2.4 0, 0.0 3,-0.8 0.585 87.7 100.6 -78.0 -3.4 93.4 41.0 16.1 46 46 A M H <> S+ 0 0 42 -3,-1.2 4,-2.3 -4,-0.4 5,-0.2 0.867 82.4 45.0 -46.6 -52.0 97.1 41.4 16.9 47 47 A T H 3> S+ 0 0 30 -3,-0.5 4,-1.9 -4,-0.4 -1,-0.3 0.804 112.6 53.8 -67.4 -25.9 97.8 37.7 17.7 48 48 A T H <> S+ 0 0 0 -3,-0.8 4,-2.5 -4,-0.3 -2,-0.2 0.937 108.6 47.6 -72.8 -43.8 95.8 36.7 14.6 49 49 A Y H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.925 111.9 51.3 -62.0 -43.5 97.9 39.0 12.3 50 50 A K H X S+ 0 0 131 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.928 112.8 45.3 -57.9 -48.5 101.1 37.6 13.8 51 51 A A H X S+ 0 0 6 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.841 111.5 52.4 -65.2 -37.7 99.9 34.0 13.2 52 52 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.937 108.1 51.0 -63.0 -49.1 98.8 34.8 9.7 53 53 A V H X S+ 0 0 17 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.912 109.9 50.2 -55.8 -44.1 102.2 36.4 8.8 54 54 A E H X S+ 0 0 108 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.876 110.0 49.8 -62.9 -39.9 104.0 33.3 10.1 55 55 A M H <>S+ 0 0 29 -4,-1.7 5,-3.3 2,-0.2 6,-0.4 0.883 112.3 48.1 -67.1 -37.2 101.9 30.9 8.1 56 56 A H H ><5S+ 0 0 37 -4,-2.2 3,-2.1 4,-0.2 -2,-0.2 0.946 112.5 47.9 -65.7 -49.0 102.5 33.0 5.0 57 57 A K H 3<5S+ 0 0 158 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.819 106.8 57.3 -64.0 -26.9 106.2 33.0 5.7 58 58 A A T 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.443 122.7-110.6 -81.0 0.7 106.0 29.3 6.2 59 59 A G T < 5S+ 0 0 65 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.675 83.7 123.2 79.8 23.6 104.6 29.1 2.7 60 60 A Q S + 0 0 0 -2,-0.4 3,-1.6 1,-0.2 34,-0.1 0.158 61.3 113.7 -98.3 19.6 97.3 36.8 -0.4 64 64 A K T 3 S+ 0 0 94 1,-0.3 -1,-0.2 35,-0.2 39,-0.0 0.840 88.6 30.3 -58.2 -36.3 98.0 37.4 -4.1 65 65 A H T 3 S+ 0 0 70 -3,-0.4 -30,-2.0 -36,-0.1 2,-0.5 -0.169 96.4 107.8-118.7 40.9 94.4 36.9 -4.9 66 66 A V E < -b 35 0A 0 -3,-1.6 2,-0.4 -32,-0.2 -30,-0.2 -0.963 50.7-158.1-119.3 130.6 92.8 38.1 -1.7 67 67 A V E -b 36 0A 1 -32,-2.5 -30,-3.0 -2,-0.5 2,-0.3 -0.908 13.8-158.5-106.2 137.1 90.9 41.4 -1.6 68 68 A T E -bd 37 104A 0 35,-2.6 37,-1.1 -2,-0.4 2,-0.4 -0.891 13.5-169.3-120.6 151.0 90.5 43.0 1.8 69 69 A F E -bd 38 105A 1 -32,-2.0 -30,-2.5 -2,-0.3 2,-0.3 -0.995 18.0-142.8-134.6 126.3 88.0 45.5 3.2 70 70 A N E -b 39 0A 0 35,-1.3 37,-0.1 -2,-0.4 3,-0.0 -0.689 12.7-129.8 -93.1 151.5 88.7 47.1 6.6 71 71 A M S S- 0 0 10 -32,-2.3 117,-2.4 -2,-0.3 2,-0.3 0.787 74.4 -15.0 -66.3 -36.7 85.9 48.0 9.1 72 72 A D E -G 187 0B 9 115,-0.2 2,-0.3 73,-0.1 115,-0.2 -0.947 47.3-160.6-158.2 178.2 86.7 51.6 9.8 73 73 A E E -G 186 0B 6 113,-1.8 113,-2.7 -2,-0.3 2,-0.3 -0.953 34.9 -96.5-166.4 150.8 89.1 54.5 9.8 74 74 A Y E > -G 185 0B 4 -2,-0.3 3,-0.6 111,-0.2 2,-0.3 -0.569 39.7-122.3 -74.7 137.3 89.6 57.8 11.6 75 75 A V T 3 S+ 0 0 27 109,-2.7 109,-0.4 -2,-0.3 108,-0.2 -0.607 88.1 9.3 -82.6 138.0 88.2 60.9 9.9 76 76 A G T 3 S+ 0 0 51 33,-3.0 -1,-0.2 -2,-0.3 34,-0.1 0.931 92.9 127.7 61.7 51.5 90.7 63.7 9.1 77 77 A L < - 0 0 19 -3,-0.6 -1,-0.2 105,-0.0 2,-0.2 -0.999 65.3-109.4-137.9 129.0 93.8 61.9 10.0 78 78 A P > - 0 0 57 0, 0.0 3,-2.7 0, 0.0 6,-0.2 -0.429 20.4-132.9 -61.5 129.2 96.8 61.6 7.7 79 79 A K T 3 S+ 0 0 63 1,-0.3 8,-0.4 -2,-0.2 5,-0.2 0.850 109.9 57.6 -46.7 -36.9 97.3 58.1 6.3 80 80 A E T 3 S+ 0 0 143 6,-0.1 -1,-0.3 3,-0.1 0, 0.0 0.663 76.6 108.0 -69.7 -24.2 100.9 58.5 7.3 81 81 A H S X S- 0 0 57 -3,-2.7 3,-2.8 1,-0.2 6,-0.4 -0.477 77.8-128.8 -59.1 124.1 100.1 59.3 10.9 82 82 A P T 3 S+ 0 0 68 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.732 104.1 53.7 -44.8 -38.0 101.3 56.1 12.8 83 83 A E T 3 S+ 0 0 50 4,-0.1 -2,-0.1 90,-0.1 -3,-0.1 0.356 80.9 109.6 -85.1 5.7 97.9 55.7 14.6 84 84 A S S <> S- 0 0 1 -3,-2.8 4,-1.6 -6,-0.2 5,-0.1 -0.350 80.8-119.5 -72.4 162.6 95.7 55.8 11.5 85 85 A Y H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.791 114.9 63.2 -74.6 -21.9 94.2 52.4 10.7 86 86 A Y H > S+ 0 0 90 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.943 106.2 42.3 -62.6 -51.3 96.0 52.6 7.4 87 87 A S H > S+ 0 0 16 -6,-0.4 4,-2.5 -8,-0.4 5,-0.3 0.861 112.1 54.8 -65.0 -40.5 99.4 52.5 9.2 88 88 A F H X S+ 0 0 24 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.954 109.4 47.3 -57.8 -50.6 98.2 49.8 11.6 89 89 A M H X>S+ 0 0 0 -4,-2.5 5,-2.3 2,-0.2 4,-1.5 0.859 116.2 42.1 -62.6 -40.7 97.3 47.5 8.8 90 90 A H H <>S+ 0 0 37 -4,-1.8 5,-3.0 3,-0.2 6,-0.3 0.973 117.7 45.3 -70.3 -52.3 100.5 48.0 6.8 91 91 A R H <5S+ 0 0 98 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.851 123.3 36.2 -58.8 -39.4 102.8 47.8 9.8 92 92 A N H <5S- 0 0 35 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.651 139.2 -8.7 -93.4 -15.5 101.0 44.8 11.2 93 93 A F T ><5S+ 0 0 0 -4,-1.5 3,-2.1 -5,-0.2 4,-0.5 0.474 120.6 55.2-144.5 -64.6 100.0 42.8 8.2 94 94 A F G > - 0 0 24 0, 0.0 3,-1.7 0, 0.0 4,-0.3 -0.419 17.2-124.2 -67.5 145.2 98.7 43.7 -4.3 101 101 A A G > S+ 0 0 83 1,-0.3 3,-1.1 2,-0.2 -2,-0.0 0.800 112.7 62.0 -60.6 -29.7 98.0 47.3 -3.5 102 102 A E G 3 S+ 0 0 146 1,-0.2 -1,-0.3 3,-0.0 -3,-0.0 0.745 98.7 56.9 -69.3 -20.6 95.0 47.0 -5.8 103 103 A N G < S+ 0 0 24 -3,-1.7 -35,-2.6 -36,-0.1 2,-0.5 0.465 87.8 92.0 -89.5 -1.4 93.6 44.4 -3.5 104 104 A I E < -d 68 0A 29 -3,-1.1 2,-0.5 -4,-0.3 -35,-0.1 -0.820 53.0-172.2-100.4 128.8 93.5 46.5 -0.4 105 105 A N E +d 69 0A 15 -37,-1.1 -35,-1.3 -2,-0.5 2,-0.3 -0.983 12.1 162.2-124.2 125.7 90.5 48.6 0.5 106 106 A L - 0 0 36 -2,-0.5 2,-0.2 -37,-0.2 -33,-0.1 -0.988 43.9-104.9-140.5 140.9 90.5 51.1 3.3 107 107 A L - 0 0 3 -2,-0.3 2,-1.1 -35,-0.2 -21,-0.1 -0.521 35.1-124.4 -69.0 132.2 88.1 53.9 4.1 108 108 A N > - 0 0 49 -2,-0.2 3,-1.8 1,-0.2 -1,-0.1 -0.706 21.0-168.5 -82.0 99.6 89.6 57.2 3.2 109 109 A G T 3 S+ 0 0 5 -2,-1.1 -33,-3.0 1,-0.3 -1,-0.2 0.655 88.7 49.7 -62.6 -13.5 89.4 59.2 6.3 110 110 A N T 3 S+ 0 0 59 -35,-0.2 -1,-0.3 -34,-0.1 -35,-0.1 -0.125 75.4 146.0-116.7 34.0 90.4 62.2 4.2 111 111 A A < - 0 0 13 -3,-1.8 3,-0.3 1,-0.1 -35,-0.1 -0.486 52.5-132.0 -69.9 142.9 87.9 61.9 1.3 112 112 A P S S+ 0 0 141 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.921 102.3 33.3 -61.0 -43.4 86.8 65.3 -0.0 113 113 A D S > S- 0 0 96 1,-0.1 4,-1.8 2,-0.0 3,-0.2 -0.918 74.1-167.0-118.7 103.1 83.2 64.2 0.1 114 114 A I H > S+ 0 0 36 -2,-0.6 4,-2.2 -3,-0.3 5,-0.2 0.858 85.5 51.8 -56.6 -43.8 82.6 61.8 3.0 115 115 A D H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.884 109.9 50.0 -65.4 -35.2 79.2 60.5 1.9 116 116 A A H > S+ 0 0 21 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.865 108.1 55.5 -68.5 -36.2 80.5 59.7 -1.6 117 117 A E H X S+ 0 0 29 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.946 111.3 42.2 -59.4 -51.4 83.4 57.8 0.1 118 118 A C H X S+ 0 0 8 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.930 114.5 51.3 -62.9 -45.9 81.0 55.6 2.2 119 119 A R H X S+ 0 0 135 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.918 111.7 46.7 -58.7 -47.5 78.6 55.1 -0.8 120 120 A Q H X S+ 0 0 90 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.824 105.6 59.8 -65.6 -32.7 81.5 54.0 -3.0 121 121 A Y H X S+ 0 0 9 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.929 108.2 45.4 -61.3 -43.9 82.9 51.7 -0.3 122 122 A E H X S+ 0 0 35 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.925 112.7 50.0 -65.2 -44.1 79.6 49.8 -0.4 123 123 A E H X S+ 0 0 99 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.891 107.0 56.6 -59.8 -40.6 79.5 49.7 -4.2 124 124 A K H X S+ 0 0 73 -4,-2.8 4,-1.2 2,-0.2 -1,-0.2 0.898 108.4 47.0 -57.4 -44.6 83.1 48.4 -4.2 125 125 A I H >X S+ 0 0 16 -4,-1.8 4,-0.7 1,-0.2 3,-0.6 0.945 110.7 49.9 -64.3 -49.4 82.0 45.5 -2.0 126 126 A R H >< S+ 0 0 188 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.837 99.8 68.9 -59.7 -30.8 79.0 44.7 -4.2 127 127 A S H 3< S+ 0 0 86 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.939 105.4 39.4 -51.5 -51.5 81.4 44.8 -7.2 128 128 A Y H << S- 0 0 79 -4,-1.2 2,-1.0 -3,-0.6 -1,-0.3 0.575 114.7-124.6 -75.7 -9.8 83.0 41.6 -5.9 129 129 A G << - 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f 0 238A 1 -66,-2.4 2,-0.5 -2,-0.4 -64,-0.4 -0.874 14.8-169.7 -95.9 123.0 87.4 37.5 18.4 203 203 A V E + f 0 239A 0 35,-3.0 37,-1.5 -2,-0.5 2,-0.4 -0.946 12.2 168.1-121.5 109.9 86.6 37.9 22.1 204 204 A L + 0 0 27 -2,-0.5 3,-0.1 35,-0.2 4,-0.1 -0.970 38.1 19.5-126.1 134.0 89.5 38.5 24.5 205 205 A G S > S- 0 0 22 -2,-0.4 3,-1.5 1,-0.1 35,-0.1 0.234 79.4 -89.2 94.5 147.7 89.5 39.6 28.1 206 206 A S G > S+ 0 0 78 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.704 115.0 73.7 -65.9 -20.5 87.2 39.7 31.0 207 207 A Q G 3 S+ 0 0 127 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.684 98.5 49.7 -69.5 -9.8 85.8 43.2 30.0 208 208 A K G <> S+ 0 0 20 -3,-1.5 4,-2.4 1,-0.1 -1,-0.3 0.290 79.0 102.6-108.1 9.7 84.0 41.4 27.2 209 209 A A H <> S+ 0 0 5 -3,-1.8 4,-2.2 1,-0.2 37,-0.2 0.870 82.2 49.0 -62.0 -40.5 82.5 38.7 29.4 210 210 A L H > S+ 0 0 88 -4,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.906 111.5 49.2 -65.9 -39.7 79.1 40.4 29.4 211 211 A A H > S+ 0 0 1 2,-0.2 4,-1.6 -4,-0.2 -2,-0.2 0.902 110.9 50.6 -66.5 -40.4 79.1 40.8 25.6 212 212 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.926 110.7 49.4 -62.5 -45.2 80.1 37.1 25.2 213 213 A Q H X>S+ 0 0 55 -4,-2.2 4,-2.3 1,-0.2 5,-1.8 0.942 109.6 50.5 -60.0 -46.9 77.2 36.1 27.5 214 214 A A H <5S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.807 114.1 46.6 -60.9 -30.4 74.7 38.2 25.6 215 215 A A H <5S+ 0 0 0 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.847 124.2 27.7 -81.6 -37.9 75.8 36.7 22.4 216 216 A V H <5S+ 0 0 30 -4,-2.4 -3,-0.2 -5,-0.1 -2,-0.2 0.903 137.0 16.7 -91.4 -48.0 75.8 33.0 23.4 217 217 A E T <5S+ 0 0 62 -4,-2.3 -3,-0.2 -5,-0.3 -4,-0.1 0.702 106.3 84.0 -99.9 -29.3 73.2 32.7 26.2 218 218 A G S - 0 0 58 3,-0.4 3,-1.1 -2,-0.3 6,-0.3 -0.922 51.9-127.7-157.5 139.4 67.8 42.0 21.0 222 222 A H T 3 S+ 0 0 108 -2,-0.3 -72,-2.3 1,-0.2 3,-0.3 0.511 100.2 70.7 -63.9 -13.4 69.1 45.2 19.3 223 223 A M T 3 S+ 0 0 105 1,-0.3 2,-0.8 -74,-0.2 -1,-0.2 0.835 103.7 42.7 -73.9 -33.4 70.7 46.7 22.4 224 224 A W S X S- 0 0 76 -3,-1.1 3,-2.1 1,-0.2 4,-0.4 -0.813 78.1-171.9-110.5 86.6 73.5 44.1 22.4 225 225 A T G > S+ 0 0 1 -2,-0.8 3,-2.2 -3,-0.3 4,-0.3 0.843 78.4 67.8 -47.0 -43.6 74.2 44.1 18.6 226 226 A I G > S+ 0 0 1 -84,-2.0 3,-1.6 1,-0.3 -1,-0.3 0.798 89.8 65.1 -48.4 -32.7 76.4 41.1 18.9 227 227 A S G X S+ 0 0 0 -3,-2.1 3,-1.8 -6,-0.3 -1,-0.3 0.727 84.7 71.9 -67.3 -21.8 73.4 38.9 19.9 228 228 A C G X S+ 0 0 7 -3,-2.2 3,-1.8 -4,-0.4 -1,-0.3 0.655 76.6 80.7 -69.7 -12.9 71.9 39.4 16.4 229 229 A L G X S+ 0 0 2 -3,-1.6 3,-1.4 -4,-0.3 -1,-0.3 0.677 73.5 78.1 -66.1 -13.8 74.6 37.1 15.1 230 230 A Q G < S+ 0 0 75 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.766 93.4 49.7 -64.0 -23.7 72.3 34.3 16.4 231 231 A L G < S+ 0 0 121 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.465 89.2 107.7 -93.3 -1.5 70.3 34.8 13.3 232 232 A H S < S- 0 0 22 -3,-1.4 3,-0.5 -4,-0.2 -37,-0.1 -0.617 71.4-134.3 -80.7 138.4 73.4 34.7 11.0 233 233 A P S S+ 0 0 117 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.778 95.6 17.5 -58.6 -31.6 73.8 31.6 8.9 234 234 A K S S+ 0 0 86 2,-0.0 -35,-2.3 -5,-0.0 2,-0.4 -0.637 77.8 151.3-149.4 85.2 77.4 31.2 9.7 235 235 A A E - f 0 199A 6 -3,-0.5 -233,-1.8 -37,-0.2 2,-0.3 -0.912 17.5-171.7-119.1 146.6 78.9 33.0 12.8 236 236 A I E -af 2 200A 3 -37,-2.3 -35,-2.8 -2,-0.4 2,-0.4 -0.996 8.4-160.6-137.0 137.1 81.8 31.9 15.0 237 237 A M E -af 3 201A 1 -235,-2.6 -233,-2.5 -2,-0.3 2,-0.5 -0.974 8.1-166.6-116.8 133.6 83.0 33.4 18.3 238 238 A V E +af 4 202A 0 -37,-2.7 -35,-3.0 -2,-0.4 2,-0.3 -0.988 18.7 177.2-121.5 124.8 86.5 32.6 19.3 239 239 A C E -af 5 203A 0 -235,-2.6 -233,-2.4 -2,-0.5 -35,-0.2 -0.865 27.9-133.6-135.6 161.1 87.4 33.4 22.9 240 240 A D > - 0 0 14 -37,-1.5 3,-0.7 -2,-0.3 4,-0.3 -0.510 43.5 -95.6 -96.6 176.7 90.0 33.3 25.6 241 241 A E G > S+ 0 0 110 -234,-2.2 3,-1.9 1,-0.2 4,-0.2 0.908 115.6 57.4 -63.4 -44.9 89.5 32.1 29.2 242 242 A P G > S+ 0 0 49 0, 0.0 3,-0.8 0, 0.0 -1,-0.2 0.735 99.3 61.7 -59.4 -24.5 88.9 35.5 31.0 243 243 A S G < S+ 0 0 0 -3,-0.7 3,-0.4 1,-0.2 -31,-0.2 0.530 91.6 67.0 -79.1 -9.4 86.0 36.3 28.7 244 244 A T G X + 0 0 13 -3,-1.9 3,-2.1 -4,-0.3 -1,-0.2 0.412 64.6 110.2 -91.2 1.2 83.9 33.3 29.8 245 245 A M T < S+ 0 0 118 -3,-0.8 -1,-0.2 1,-0.3 -2,-0.1 0.687 79.3 45.2 -48.4 -31.1 83.4 34.5 33.4 246 246 A E T 3 S+ 0 0 98 -3,-0.4 -1,-0.3 -37,-0.2 2,-0.2 0.389 91.2 99.2 -97.8 -0.6 79.6 35.2 32.9 247 247 A L S < S- 0 0 20 -3,-2.1 2,-0.2 1,-0.1 -34,-0.1 -0.517 81.7-103.9 -83.0 157.2 78.7 32.0 31.1 248 248 A K >> - 0 0 121 -2,-0.2 4,-1.9 1,-0.1 3,-0.9 -0.558 29.1-117.8 -75.5 148.7 77.2 29.0 33.0 249 249 A V H 3> S+ 0 0 104 1,-0.3 4,-2.2 -2,-0.2 5,-0.2 0.905 116.0 52.8 -53.5 -42.0 79.6 26.2 33.7 250 250 A K H 3> S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.805 104.2 54.9 -67.0 -28.8 77.4 23.9 31.6 251 251 A T H <> S+ 0 0 21 -3,-0.9 4,-1.9 2,-0.2 5,-0.2 0.959 111.5 44.1 -67.1 -47.7 77.5 26.2 28.6 252 252 A L H X S+ 0 0 45 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.858 113.4 51.2 -64.2 -37.6 81.3 26.3 28.6 253 253 A R H X S+ 0 0 148 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.877 108.1 54.0 -67.7 -37.1 81.4 22.5 29.1 254 254 A Y H X S+ 0 0 128 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.940 111.6 41.8 -61.4 -52.5 78.9 22.0 26.1 255 255 A F H X S+ 0 0 27 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.844 110.8 57.2 -68.2 -32.6 81.0 24.0 23.6 256 256 A N H < S+ 0 0 63 -4,-1.8 4,-0.5 -5,-0.2 -1,-0.2 0.923 111.9 42.6 -64.3 -41.2 84.2 22.5 24.8 257 257 A E H >< S+ 0 0 136 -4,-1.9 3,-1.1 1,-0.2 4,-0.4 0.965 114.5 49.8 -68.2 -49.4 82.8 19.0 24.1 258 258 A L H 3< S+ 0 0 92 -4,-2.7 -2,-0.2 1,-0.3 3,-0.2 0.805 122.9 31.4 -58.4 -34.6 81.3 20.0 20.8 259 259 A E T >< S+ 0 0 10 -4,-2.3 3,-1.6 1,-0.1 4,-0.4 0.257 84.2 111.8-109.3 9.2 84.5 21.6 19.5 260 260 A A G X S+ 0 0 58 -3,-1.1 3,-1.0 -4,-0.5 -1,-0.1 0.880 78.7 51.4 -52.0 -39.5 87.0 19.4 21.3 261 261 A E G 3 S+ 0 0 183 -4,-0.4 3,-0.3 1,-0.2 -1,-0.3 0.721 108.8 53.9 -73.5 -15.0 88.2 17.9 18.1 262 262 A N G < S+ 0 0 63 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.306 92.6 69.6-102.8 8.9 88.7 21.4 16.6 263 263 A I < + 0 0 35 -3,-1.0 2,-0.5 -4,-0.4 3,-0.3 0.043 68.9 102.2-121.0 32.4 91.0 23.0 19.1 264 264 A K + 0 0 170 -3,-0.3 -4,-0.0 1,-0.2 -3,-0.0 -0.941 57.6 57.0-125.3 130.7 94.5 21.3 18.9 265 265 A G 0 0 62 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.0 -0.027 360.0 360.0 142.1 -10.5 97.6 22.6 17.3 266 266 A L 0 0 33 -3,-0.3 -2,-0.2 -251,-0.0 -252,-0.1 0.532 360.0 360.0-112.6 360.0 97.3 25.6 19.5