==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-SEP-09 2WU1 . COMPND 2 MOLECULE: GLUCOSAMINE-6-PHOSPHATE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.RUDINO-PINERA,S.P.ROJAS-TREJO,E.HORJALES . 532 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 363 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 10.2 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 . 29 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 79 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 26.7 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 4 0 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 2 2 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 0.000 360.0 360.0 360.0 150.6 3.6 -14.8 23.9 2 2 A R E -a 236 0A 75 233,-2.2 235,-3.0 2,-0.0 2,-0.4 -0.937 360.0-164.1-107.5 141.4 5.3 -18.1 24.8 3 3 A L E -a 237 0A 0 -2,-0.4 235,-0.2 233,-0.2 256,-0.1 -0.991 5.2-157.8-123.6 126.9 7.4 -18.5 27.9 4 4 A I E -a 238 0A 0 233,-3.2 235,-2.7 -2,-0.4 2,-1.0 -0.889 8.9-158.3-107.0 102.4 9.8 -21.5 28.1 5 5 A P E +a 239 0A 12 0, 0.0 235,-0.2 0, 0.0 2,-0.2 -0.720 24.5 161.9 -89.8 101.2 10.5 -22.2 31.8 6 6 A L - 0 0 16 233,-3.0 3,-0.1 -2,-1.0 257,-0.0 -0.459 38.7-126.8-105.4-174.9 13.8 -24.1 32.0 7 7 A T S S+ 0 0 71 233,-0.2 234,-1.9 1,-0.2 2,-0.2 0.886 76.6 26.0-100.5 -51.2 16.1 -24.7 34.9 8 8 A T S > S- 0 0 63 232,-0.2 4,-2.3 233,-0.1 -1,-0.2 -0.726 72.7-112.8-120.0 163.0 19.7 -23.7 34.0 9 9 A A H > S+ 0 0 31 -2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.794 117.2 59.8 -58.3 -29.7 21.5 -21.4 31.5 10 10 A E H > S+ 0 0 134 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.943 106.2 45.2 -66.6 -47.5 22.7 -24.6 29.8 11 11 A Q H > S+ 0 0 70 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.923 112.2 52.4 -60.2 -45.6 19.2 -25.8 29.1 12 12 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.932 109.5 49.6 -56.6 -46.2 18.3 -22.3 27.9 13 13 A G H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.931 113.7 44.7 -61.3 -46.6 21.2 -22.2 25.5 14 14 A K H X S+ 0 0 89 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.894 112.9 51.3 -66.0 -38.9 20.4 -25.6 24.1 15 15 A W H X S+ 0 0 15 -4,-3.0 4,-2.0 -5,-0.2 -2,-0.2 0.952 114.4 42.6 -62.0 -48.6 16.7 -24.8 23.7 16 16 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.895 114.1 51.0 -65.3 -44.4 17.3 -21.6 21.8 17 17 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.934 111.3 48.2 -57.6 -48.6 20.1 -23.1 19.7 18 18 A R H X S+ 0 0 76 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.867 109.8 53.1 -59.8 -37.6 17.8 -25.9 18.7 19 19 A H H X S+ 0 0 17 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.920 109.8 47.4 -65.7 -42.1 15.0 -23.5 17.9 20 20 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.913 111.8 50.6 -66.1 -41.9 17.2 -21.4 15.6 21 21 A V H X S+ 0 0 4 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.937 110.9 47.5 -62.1 -46.0 18.4 -24.6 13.8 22 22 A N H X S+ 0 0 90 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.868 111.0 51.9 -64.7 -37.5 14.9 -25.9 13.2 23 23 A R H X S+ 0 0 85 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.923 112.5 46.2 -62.3 -45.0 13.7 -22.5 11.9 24 24 A I H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.941 114.4 45.8 -63.9 -48.7 16.7 -22.4 9.5 25 25 A N H < S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.856 112.6 49.5 -67.1 -36.6 16.2 -26.0 8.2 26 26 A A H < S+ 0 0 88 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.821 109.8 54.3 -68.5 -30.0 12.5 -25.7 7.8 27 27 A F H < S- 0 0 40 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.841 90.1-154.4 -73.8 -35.9 13.1 -22.4 5.9 28 28 A K < - 0 0 160 -4,-1.7 -3,-0.1 1,-0.1 -4,-0.1 0.983 17.9-153.2 59.3 64.7 15.5 -24.1 3.4 29 29 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.361 15.9-174.5 -75.1 149.0 17.4 -20.9 2.5 30 30 A T - 0 0 56 3,-1.7 3,-0.1 35,-0.1 5,-0.0 -0.750 44.9 -91.3-127.6 178.0 19.2 -20.3 -0.8 31 31 A A S S+ 0 0 77 1,-0.2 -1,-0.0 -2,-0.2 0, 0.0 0.842 130.7 42.3 -59.4 -34.7 21.4 -17.6 -2.3 32 32 A D S S+ 0 0 149 1,-0.2 -1,-0.2 2,-0.0 33,-0.0 0.683 126.2 34.8 -83.5 -20.9 18.3 -15.9 -3.7 33 33 A R S S+ 0 0 117 -3,-0.1 -3,-1.7 -5,-0.0 -1,-0.2 -0.618 80.2 179.5-138.4 75.3 16.4 -16.4 -0.5 34 34 A P - 0 0 23 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.293 32.7-113.1 -75.2 158.0 18.6 -16.3 2.6 35 35 A F E -b 66 0A 6 30,-2.1 32,-3.0 96,-0.0 2,-0.6 -0.825 29.8-142.3 -88.3 131.9 17.5 -16.7 6.2 36 36 A V E -b 67 0A 2 -2,-0.5 96,-1.8 30,-0.2 97,-1.6 -0.882 20.1-175.0-106.3 113.7 17.9 -13.4 8.1 37 37 A L E -bc 68 133A 0 30,-2.9 32,-2.0 -2,-0.6 2,-0.4 -0.917 13.6-152.3-111.9 126.3 19.0 -13.8 11.8 38 38 A G E -bc 69 134A 0 95,-2.9 97,-2.8 -2,-0.4 32,-0.2 -0.869 21.3-163.6 -98.6 135.0 19.3 -10.9 14.3 39 39 A L E -b 70 0A 0 30,-2.7 32,-1.9 -2,-0.4 2,-0.2 -0.879 11.8-156.4-127.7 146.2 21.9 -11.5 17.0 40 40 A P - 0 0 1 0, 0.0 2,-0.2 0, 0.0 96,-0.1 -0.650 10.4-143.6-109.0 171.4 22.8 -10.0 20.5 41 41 A T + 0 0 18 -2,-0.2 2,-0.2 3,-0.0 3,-0.2 -0.754 47.4 70.2-121.7 174.7 26.1 -9.9 22.5 42 42 A G S S- 0 0 16 -2,-0.2 4,-0.2 1,-0.2 128,-0.0 -0.638 93.3 -49.6 120.3-172.3 26.8 -10.2 26.2 43 43 A G S > S+ 0 0 28 -2,-0.2 3,-1.7 1,-0.2 4,-0.3 0.918 120.2 66.4 -62.7 -44.5 26.8 -12.7 29.0 44 44 A T T > S+ 0 0 22 1,-0.3 3,-0.5 -3,-0.2 4,-0.3 0.859 99.8 44.2 -51.0 -53.2 23.2 -14.0 28.2 45 45 A P T >> S+ 0 0 2 0, 0.0 4,-2.6 0, 0.0 3,-0.6 0.472 83.6 101.6 -78.0 2.0 23.7 -15.6 24.8 46 46 A M H <> S+ 0 0 49 -3,-1.7 4,-2.7 1,-0.3 5,-0.2 0.899 82.4 45.5 -53.0 -52.0 27.0 -17.4 25.6 47 47 A T H <> S+ 0 0 29 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.3 0.789 113.3 53.8 -66.0 -24.9 25.5 -20.9 26.1 48 48 A T H <> S+ 0 0 0 -3,-0.6 4,-2.6 -4,-0.3 -2,-0.2 0.924 108.6 46.5 -72.3 -46.6 23.4 -20.3 23.0 49 49 A Y H X S+ 0 0 1 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.956 112.3 52.1 -60.6 -47.7 26.5 -19.5 20.9 50 50 A K H X S+ 0 0 129 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.938 112.5 44.5 -48.6 -53.6 28.3 -22.5 22.3 51 51 A A H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.871 110.7 54.5 -66.0 -37.0 25.4 -24.8 21.4 52 52 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.944 109.4 47.1 -60.3 -47.8 25.1 -23.3 17.9 53 53 A V H X S+ 0 0 19 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.914 110.8 53.0 -61.0 -44.1 28.7 -24.0 17.1 54 54 A E H X S+ 0 0 138 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.957 109.5 47.5 -53.8 -54.4 28.5 -27.5 18.4 55 55 A M H <>S+ 0 0 17 -4,-2.3 5,-3.0 1,-0.2 6,-0.5 0.851 112.2 50.4 -60.5 -34.6 25.5 -28.3 16.2 56 56 A H H ><5S+ 0 0 37 -4,-2.0 3,-2.1 3,-0.2 -1,-0.2 0.955 110.0 49.2 -67.1 -49.3 27.2 -26.8 13.2 57 57 A K H 3<5S+ 0 0 166 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.857 108.2 54.7 -55.2 -37.4 30.3 -28.9 13.8 58 58 A A T 3<5S- 0 0 68 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.465 121.5-113.8 -75.6 -2.7 28.1 -31.9 14.2 59 59 A G T < 5S+ 0 0 66 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.734 82.2 122.3 78.1 25.4 26.8 -31.0 10.7 60 60 A Q S + 0 0 0 -2,-0.4 3,-1.9 1,-0.2 -1,-0.1 0.211 59.1 113.1-101.2 13.5 25.2 -20.8 7.8 64 64 A K T 3 S+ 0 0 105 1,-0.3 -1,-0.2 35,-0.2 -34,-0.0 0.849 89.1 31.0 -52.1 -38.1 26.2 -20.5 4.1 65 65 A H T 3 S+ 0 0 65 -3,-0.3 -30,-2.1 -36,-0.1 2,-0.5 -0.049 97.4 108.3-116.1 34.0 22.9 -18.9 3.3 66 66 A V E < -b 35 0A 0 -3,-1.9 2,-0.5 -32,-0.2 -30,-0.2 -0.935 51.3-158.1-109.9 129.9 22.2 -17.1 6.5 67 67 A V E -b 36 0A 2 -32,-3.0 -30,-2.9 -2,-0.5 2,-0.3 -0.927 12.7-155.8-105.5 131.8 22.5 -13.3 6.8 68 68 A T E -bd 37 104A 0 35,-2.4 37,-1.6 -2,-0.5 2,-0.4 -0.835 14.2-174.2-111.2 146.5 23.1 -11.8 10.2 69 69 A F E -bd 38 105A 0 -32,-2.0 -30,-2.7 -2,-0.3 2,-0.2 -0.999 19.3-139.6-128.3 132.8 22.4 -8.4 11.8 70 70 A N E -b 39 0A 1 35,-1.5 3,-0.1 -2,-0.4 118,-0.0 -0.637 11.2-133.4 -88.4 152.8 23.6 -7.4 15.2 71 71 A M S S- 0 0 10 -32,-1.9 117,-2.7 -2,-0.2 2,-0.3 0.840 73.9 -16.0 -67.0 -40.6 21.3 -5.3 17.6 72 72 A D E -G 187 0B 7 115,-0.2 2,-0.3 73,-0.1 115,-0.2 -0.923 47.5-158.4-160.1 175.5 23.9 -2.8 18.7 73 73 A E E -G 186 0B 13 113,-1.7 113,-2.9 -2,-0.3 2,-0.2 -0.937 34.3 -98.7-166.2 144.8 27.5 -1.6 19.1 74 74 A Y E > -G 185 0B 2 -2,-0.3 3,-0.5 111,-0.2 2,-0.3 -0.486 36.7-123.2 -67.7 139.6 29.4 0.9 21.3 75 75 A V T 3 S+ 0 0 28 109,-2.5 109,-0.3 1,-0.2 35,-0.2 -0.675 89.7 8.3 -79.7 135.4 30.1 4.3 19.9 76 76 A G T 3 S+ 0 0 50 33,-2.4 -1,-0.2 -2,-0.3 34,-0.1 0.521 89.4 130.0 75.4 6.4 33.8 5.3 19.8 77 77 A L < - 0 0 20 -3,-0.5 -1,-0.2 32,-0.1 32,-0.1 -0.819 66.7-110.6 -91.0 128.6 35.3 2.0 20.8 78 78 A P > - 0 0 60 0, 0.0 3,-1.2 0, 0.0 6,-0.2 -0.330 20.3-128.0 -56.0 137.0 38.0 0.8 18.4 79 79 A K T 3 S+ 0 0 81 1,-0.3 8,-0.4 7,-0.1 5,-0.1 0.812 109.4 57.7 -52.3 -33.7 36.9 -2.2 16.4 80 80 A E T 3 S+ 0 0 158 6,-0.1 -1,-0.3 3,-0.1 -3,-0.0 0.731 77.3 110.4 -73.6 -24.8 40.0 -4.0 17.6 81 81 A H S X S- 0 0 57 -3,-1.2 3,-1.7 1,-0.2 6,-0.4 -0.308 73.6-132.6 -53.7 131.0 39.2 -3.6 21.3 82 82 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 9,-0.1 0.693 103.7 53.8 -64.1 -21.2 38.3 -7.1 22.6 83 83 A E T 3 S+ 0 0 49 4,-0.1 -2,-0.1 5,-0.0 -4,-0.1 0.447 82.2 107.9 -96.0 0.3 35.2 -5.8 24.3 84 84 A S S <> S- 0 0 0 -3,-1.7 4,-1.9 -6,-0.2 5,-0.1 -0.344 80.9-120.2 -66.4 159.2 33.7 -4.2 21.2 85 85 A Y H > S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.803 113.1 61.2 -78.8 -25.8 30.7 -6.1 19.8 86 86 A Y H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.974 108.9 42.1 -54.1 -56.3 32.5 -6.6 16.6 87 87 A S H > S+ 0 0 17 -6,-0.4 4,-2.5 -8,-0.4 5,-0.3 0.880 111.9 55.7 -59.3 -42.8 35.3 -8.6 18.4 88 88 A F H X S+ 0 0 14 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.926 107.5 48.1 -57.6 -47.4 32.7 -10.4 20.6 89 89 A M H X>S+ 0 0 0 -4,-2.2 5,-2.3 2,-0.2 4,-1.2 0.866 115.1 43.0 -66.9 -39.3 30.8 -11.7 17.6 90 90 A H H <>S+ 0 0 41 -4,-1.7 5,-2.3 3,-0.2 3,-0.3 0.956 115.8 47.7 -69.9 -49.6 33.9 -13.0 15.7 91 91 A R H <5S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.865 123.2 33.3 -58.4 -38.9 35.6 -14.5 18.7 92 92 A N H <5S- 0 0 34 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.529 138.5 -7.1-101.8 -6.1 32.4 -16.3 19.9 93 93 A F T ><5S+ 0 0 0 -4,-1.2 3,-1.6 -3,-0.3 4,-0.5 0.425 117.9 56.4-149.4 -63.4 30.6 -17.2 16.7 94 94 A F G > - 0 0 19 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.404 17.9-124.5 -65.1 141.2 30.4 -15.9 4.3 101 101 A A G > S+ 0 0 79 1,-0.3 3,-1.1 2,-0.2 -2,-0.0 0.726 110.0 62.1 -62.1 -25.5 31.8 -12.5 5.3 102 102 A E G 3 S+ 0 0 142 1,-0.2 -1,-0.3 3,-0.0 -35,-0.0 0.657 97.7 60.6 -71.5 -15.2 29.5 -10.7 2.9 103 103 A N G < S+ 0 0 24 -3,-2.0 -35,-2.4 -37,-0.1 2,-0.5 0.413 84.8 94.8 -91.2 -0.4 26.6 -12.1 5.0 104 104 A I E < -d 68 0A 31 -3,-1.1 2,-0.5 -37,-0.2 -35,-0.1 -0.830 51.6-175.0 -99.6 123.6 27.7 -10.4 8.2 105 105 A N E +d 69 0A 16 -37,-1.6 -35,-1.5 -2,-0.5 2,-0.3 -0.968 10.6 162.1-121.5 125.0 26.2 -7.0 9.1 106 106 A L - 0 0 39 -2,-0.5 2,-0.2 -37,-0.2 -33,-0.1 -0.971 40.5-105.0-138.0 150.1 27.3 -5.0 12.1 107 107 A L - 0 0 7 -2,-0.3 2,-1.0 -35,-0.2 -21,-0.1 -0.525 29.0-129.0 -74.9 140.2 26.9 -1.3 13.1 108 108 A N > - 0 0 59 -2,-0.2 3,-1.8 1,-0.1 9,-0.1 -0.767 21.0-172.6 -91.4 99.7 30.0 0.9 12.7 109 109 A G T 3 S+ 0 0 5 -2,-1.0 -33,-2.4 1,-0.3 -1,-0.1 0.543 84.3 52.5 -69.0 -6.8 30.4 2.6 16.1 110 110 A N T 3 S+ 0 0 74 -35,-0.2 -1,-0.3 -34,-0.1 -35,-0.1 0.145 75.2 141.2-114.5 16.2 33.1 4.8 14.7 111 111 A A < - 0 0 12 -3,-1.8 3,-0.2 1,-0.1 -35,-0.1 -0.338 52.5-139.1 -56.2 137.0 31.2 6.1 11.7 112 112 A P S S+ 0 0 139 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.813 98.5 43.7 -70.1 -29.6 32.0 9.8 11.0 113 113 A D > - 0 0 91 1,-0.2 4,-1.9 2,-0.0 5,-0.1 -0.887 70.0-176.9-121.5 99.0 28.3 10.4 10.2 114 114 A I H > S+ 0 0 47 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.900 81.3 51.5 -66.5 -47.2 26.1 8.6 12.8 115 115 A D H > S+ 0 0 121 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.916 112.0 47.9 -54.7 -43.4 22.7 9.4 11.3 116 116 A A H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.870 110.6 51.7 -70.3 -34.0 23.8 8.1 7.9 117 117 A E H X S+ 0 0 33 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.942 112.0 45.7 -66.4 -47.2 25.2 5.0 9.4 118 118 A C H X S+ 0 0 4 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.909 112.3 51.1 -61.7 -44.0 22.0 4.2 11.2 119 119 A R H X S+ 0 0 175 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.917 108.9 50.8 -61.4 -45.0 19.9 5.0 8.2 120 120 A Q H X S+ 0 0 102 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.843 104.8 57.3 -62.5 -34.8 21.9 2.7 5.9 121 121 A Y H X S+ 0 0 13 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.913 108.5 46.6 -62.4 -41.2 21.6 -0.2 8.5 122 122 A E H X S+ 0 0 34 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.914 111.7 50.9 -67.1 -41.9 17.8 0.1 8.1 123 123 A E H X S+ 0 0 61 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.917 108.1 53.4 -58.7 -42.5 18.1 0.2 4.3 124 124 A K H X S+ 0 0 76 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.917 109.4 48.0 -60.8 -44.7 20.3 -2.9 4.4 125 125 A I H >X S+ 0 0 16 -4,-2.0 4,-1.5 1,-0.2 3,-0.9 0.946 111.4 50.5 -60.5 -47.2 17.6 -4.7 6.5 126 126 A R H 3< S+ 0 0 170 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.837 100.5 63.3 -61.3 -32.5 14.8 -3.6 4.1 127 127 A S H 3< S+ 0 0 88 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.831 107.2 44.1 -66.3 -28.3 16.8 -4.8 1.0 128 128 A Y H << S- 0 0 81 -4,-1.0 2,-0.5 -3,-0.9 -1,-0.2 0.805 111.1-128.7 -80.2 -29.1 16.5 -8.3 2.4 129 129 A G < - 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0 0 15 -3,-1.5 3,-0.5 -4,-0.3 -37,-0.1 -0.704 68.0-143.0 -93.5 138.9 4.4 -8.7 18.8 233 233 A P S S+ 0 0 124 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.778 94.7 27.7 -68.6 -24.9 2.6 -11.5 17.0 234 234 A K S S+ 0 0 88 -37,-0.1 -35,-2.2 2,-0.0 2,-0.4 -0.586 76.6 151.9-144.4 74.8 5.3 -14.1 17.7 235 235 A A E - f 0 199A 3 -3,-0.5 -233,-2.2 -37,-0.2 2,-0.4 -0.857 18.3-171.6-107.4 140.1 7.4 -13.5 20.8 236 236 A I E -af 2 200A 2 -37,-2.7 -35,-3.0 -2,-0.4 2,-0.5 -0.997 7.2-162.1-131.1 133.4 9.1 -16.2 22.8 237 237 A M E -af 3 201A 1 -235,-3.0 -233,-3.2 -2,-0.4 2,-0.5 -0.967 5.1-160.6-114.5 131.2 10.9 -15.8 26.2 238 238 A V E -af 4 202A 0 -37,-3.0 -35,-3.1 -2,-0.5 2,-0.3 -0.957 21.8-175.0-114.6 117.7 13.3 -18.6 27.2 239 239 A C E -af 5 203A 0 -235,-2.7 -233,-3.0 -2,-0.5 -35,-0.2 -0.826 25.1-143.0-124.4 145.2 13.9 -18.5 31.0 240 240 A D - 0 0 14 -37,-1.9 4,-0.4 -2,-0.3 -233,-0.2 -0.433 42.4 -98.6 -91.3 178.2 16.0 -20.1 33.7 241 241 A E S > S+ 0 0 87 -234,-1.9 3,-2.0 1,-0.2 4,-0.3 0.948 115.8 50.8 -69.8 -49.6 14.5 -20.8 37.1 242 242 A P G > S+ 0 0 50 0, 0.0 3,-1.2 0, 0.0 -1,-0.2 0.820 102.4 63.1 -63.5 -24.0 15.8 -17.8 39.2 243 243 A S G 3 S+ 0 0 0 1,-0.2 3,-0.4 -40,-0.2 -31,-0.2 0.667 98.4 58.0 -69.2 -14.6 14.5 -15.3 36.6 244 244 A T G X S+ 0 0 5 -3,-2.0 3,-1.6 -4,-0.4 272,-0.3 0.409 72.8 102.8 -93.7 1.3 10.9 -16.5 37.2 245 245 A M T < S+ 0 0 24 -3,-1.2 272,-2.2 -4,-0.3 273,-0.3 0.687 77.9 52.7 -60.4 -25.5 10.8 -15.8 41.0 246 246 A E T 3 S+ 0 0 24 -3,-0.4 -1,-0.3 270,-0.2 2,-0.1 0.467 88.2 98.9 -94.3 -3.0 8.7 -12.6 40.7 247 247 A L S < S- 0 0 1 -3,-1.6 269,-2.8 1,-0.1 270,-0.2 -0.419 83.1 -98.8 -77.6 157.6 5.9 -14.1 38.6 248 248 A K B >> -J 515 0D 53 267,-0.3 4,-2.1 1,-0.1 3,-0.5 -0.509 29.9-118.7 -71.2 147.9 2.6 -15.2 40.1 249 249 A V H 3> S+ 0 0 14 265,-2.9 4,-2.8 262,-0.3 5,-0.2 0.863 115.1 53.8 -50.3 -42.9 2.3 -18.9 40.8 250 250 A K H 3> S+ 0 0 92 262,-1.9 4,-1.7 264,-0.3 -1,-0.2 0.847 106.6 52.3 -69.3 -30.6 -0.7 -19.1 38.4 251 251 A T H <> S+ 0 0 26 -3,-0.5 4,-1.7 261,-0.3 -2,-0.2 0.954 113.6 41.1 -68.3 -51.0 1.4 -17.5 35.6 252 252 A L H X S+ 0 0 26 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.922 112.0 57.5 -62.6 -41.8 4.3 -19.9 35.9 253 253 A R H X S+ 0 0 93 -4,-2.8 4,-2.1 -5,-0.3 -1,-0.2 0.899 105.3 51.5 -54.8 -42.4 1.8 -22.8 36.3 254 254 A Y H X S+ 0 0 134 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.925 110.4 45.8 -63.3 -47.2 0.2 -22.0 33.0 255 255 A F H X S+ 0 0 19 -4,-1.7 4,-1.9 1,-0.2 -1,-0.2 0.820 109.0 56.5 -71.5 -30.2 3.4 -21.9 31.0 256 256 A N H X S+ 0 0 67 -4,-2.4 4,-0.9 2,-0.2 -1,-0.2 0.922 109.6 45.2 -63.1 -44.3 4.6 -25.1 32.6 257 257 A E H >< S+ 0 0 146 -4,-2.1 3,-0.6 -5,-0.2 4,-0.3 0.938 114.1 51.3 -59.8 -45.1 1.5 -26.9 31.4 258 258 A L H 3< S+ 0 0 81 -4,-2.2 3,-0.2 1,-0.2 -2,-0.2 0.854 120.2 30.4 -60.9 -39.5 1.8 -25.3 28.0 259 259 A E H >X S+ 0 0 7 -4,-1.9 4,-1.0 1,-0.2 3,-0.6 0.315 79.3 114.1-112.1 5.6 5.4 -26.3 27.3 260 260 A A H - 0 0 52 232,-0.2 4,-2.0 233,-0.1 3,-0.2 -0.726 68.3-124.9-120.1 151.1 -6.6 -30.1 50.1 276 309 B A H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.821 115.6 57.3 -55.8 -35.2 -9.4 -28.8 52.3 277 310 B E H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 106.6 46.3 -66.5 -38.7 -9.1 -32.2 54.1 278 311 B Q H > S+ 0 0 48 2,-0.2 4,-2.9 -3,-0.2 -2,-0.2 0.874 110.3 55.1 -69.6 -35.7 -5.4 -31.7 54.9 279 312 B V H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.958 109.1 46.4 -60.7 -53.1 -6.2 -28.2 56.1 280 313 B G H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.911 113.6 49.0 -52.6 -47.9 -8.8 -29.4 58.5 281 314 B K H X S+ 0 0 116 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.922 113.5 46.5 -62.7 -44.6 -6.5 -32.2 59.8 282 315 B W H X S+ 0 0 8 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.946 115.3 45.3 -59.6 -50.2 -3.6 -29.7 60.2 283 316 B A H X S+ 0 0 0 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.915 113.4 49.1 -63.8 -44.6 -5.7 -27.1 62.0 284 317 B A H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 5,-0.2 0.922 110.5 51.2 -62.6 -44.6 -7.4 -29.7 64.3 285 318 B R H X S+ 0 0 79 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.888 109.8 51.2 -57.2 -39.5 -4.0 -31.2 65.2 286 319 B H H X S+ 0 0 19 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.914 110.0 47.6 -67.4 -44.2 -2.7 -27.7 66.1 287 320 B I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.949 113.1 49.2 -59.0 -49.5 -5.7 -26.9 68.3 288 321 B V H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.924 110.4 50.0 -58.6 -44.6 -5.3 -30.2 70.1 289 322 B N H X S+ 0 0 95 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.883 111.2 49.4 -63.1 -37.3 -1.6 -29.8 70.6 290 323 B R H X S+ 0 0 87 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.927 113.3 46.1 -66.3 -44.8 -2.1 -26.3 72.1 291 324 B I H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.944 114.1 47.2 -63.2 -49.0 -4.8 -27.5 74.5 292 325 B N H < S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.906 113.2 47.6 -64.1 -41.3 -2.9 -30.5 75.7 293 326 B A H < S+ 0 0 87 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.871 111.5 51.7 -64.6 -37.3 0.3 -28.6 76.2 294 327 B F H < S- 0 0 39 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.860 94.0-153.7 -68.4 -35.8 -1.6 -25.9 78.1 295 328 B K < - 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