==== 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 HYDROLASE 25-JUN-07 2QED . COMPND 2 MOLECULE: HYDROXYACYLGLUTATHIONE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR N.R.LEITE,V.A.CAMPOS BERMUDEZ,R.KROGH,G.OLIVA,F.C.SONCINI,A. . 252 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 13.9 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 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 16 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.2 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 0 0 2 1 0 0 2 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 PARALLEL BRIDGES PER LADDER . 1 2 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 0 A S 0 0 105 0, 0.0 20,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 121.6 13.2 3.6 -9.3 2 1 A M - 0 0 19 18,-0.2 2,-0.3 19,-0.1 18,-0.2 -0.878 360.0-148.8-119.1 147.7 12.2 2.7 -5.8 3 2 A N E -A 19 0A 71 16,-2.9 16,-2.6 -2,-0.3 2,-0.4 -0.882 16.8-133.3-114.1 148.4 9.0 2.1 -4.0 4 3 A L E +A 18 0A 38 -2,-0.3 2,-0.3 14,-0.2 14,-0.2 -0.822 24.4 170.1-110.0 135.3 8.2 2.8 -0.4 5 4 A N E -A 17 0A 50 12,-2.7 12,-2.9 -2,-0.4 2,-0.4 -0.906 15.7-149.6-132.2 161.5 6.5 0.7 2.2 6 5 A S E -A 16 0A 36 -2,-0.3 10,-0.2 10,-0.2 8,-0.0 -0.978 4.6-162.1-134.8 150.5 6.1 1.0 5.9 7 6 A I E -A 15 0A 11 8,-1.6 8,-3.0 -2,-0.4 2,-0.1 -0.990 22.7-131.1-130.2 118.5 5.8 -1.4 8.7 8 7 A P E -A 14 0A 90 0, 0.0 2,-0.3 0, 0.0 6,-0.2 -0.443 30.2-179.1 -68.3 146.7 4.4 -0.3 12.0 9 8 A A E > -A 13 0A 2 4,-2.2 4,-2.1 -2,-0.1 3,-0.2 -0.982 47.1 -15.4-144.3 155.0 6.5 -1.3 15.1 10 9 A F T 4 S- 0 0 75 -2,-0.3 22,-0.0 1,-0.2 48,-0.0 -0.230 115.2 -42.1 50.9-134.1 6.1 -0.8 18.8 11 10 A Q T 4 S- 0 0 182 -3,-0.0 -1,-0.2 1,-0.0 155,-0.0 0.831 132.6 -3.6 -97.4 -35.6 3.5 1.9 19.5 12 11 A D T 4 S+ 0 0 54 -3,-0.2 155,-2.8 153,-0.0 2,-0.3 0.167 96.3 119.1-148.5 22.1 4.2 4.6 17.0 13 12 A N E < -AB 9 166A 7 -4,-2.1 -4,-2.2 153,-0.2 2,-0.4 -0.637 43.2-155.4 -87.9 150.3 7.3 3.6 15.0 14 13 A Y E -A 8 0A 17 151,-2.5 2,-0.7 -2,-0.3 -8,-0.0 -0.995 5.1-153.9-118.9 134.8 7.4 3.0 11.3 15 14 A I E -A 7 0A 1 -8,-3.0 -8,-1.6 -2,-0.4 2,-0.2 -0.935 22.1-148.8-100.8 107.3 10.0 0.8 9.8 16 15 A W E -AC 6 28A 5 -2,-0.7 12,-3.2 12,-0.6 2,-0.4 -0.549 11.5-165.4 -77.5 144.4 10.4 2.2 6.2 17 16 A V E -AC 5 27A 0 -12,-2.9 -12,-2.7 10,-0.2 2,-0.5 -0.993 3.3-164.4-131.9 125.1 11.3 -0.2 3.5 18 17 A L E -AC 4 26A 0 8,-2.3 8,-2.5 -2,-0.4 2,-0.4 -0.916 12.9-171.4-106.1 136.0 12.5 1.0 0.1 19 18 A T E -AC 3 25A 3 -16,-2.6 -16,-2.9 -2,-0.5 6,-0.2 -0.970 10.8-146.1-129.8 143.8 12.4 -1.6 -2.6 20 19 A N > - 0 0 20 4,-2.3 3,-2.1 -2,-0.4 -18,-0.2 -0.388 42.6 -88.0 -95.7-178.2 13.8 -1.5 -6.2 21 20 A D T 3 S+ 0 0 129 -20,-0.5 -19,-0.1 1,-0.3 -1,-0.0 0.723 126.4 60.7 -62.1 -23.4 12.4 -3.2 -9.3 22 21 A E T 3 S- 0 0 133 77,-0.1 -1,-0.3 2,-0.1 3,-0.1 0.421 118.1-111.0 -85.7 1.3 14.3 -6.3 -8.4 23 22 A G S < S+ 0 0 17 -3,-2.1 23,-2.8 1,-0.3 2,-0.3 0.618 71.6 143.1 79.2 11.2 12.5 -6.7 -5.1 24 23 A R E - d 0 46A 89 21,-0.2 -4,-2.3 75,-0.1 2,-0.3 -0.684 31.8-162.9 -84.1 138.7 15.6 -5.8 -3.2 25 24 A C E -Cd 19 47A 0 21,-1.8 23,-3.2 -2,-0.3 24,-1.6 -0.890 25.4-150.1-130.0 154.1 14.9 -3.8 -0.1 26 25 A V E -Cd 18 49A 0 -8,-2.5 -8,-2.3 -2,-0.3 2,-0.5 -0.974 21.1-149.4-113.9 136.5 16.5 -1.6 2.4 27 26 A I E -Cd 17 50A 0 22,-2.4 24,-2.6 -2,-0.4 2,-0.6 -0.924 10.2-146.8-111.6 126.6 14.9 -1.6 5.8 28 27 A V E -Cd 16 51A 3 -12,-3.2 -12,-0.6 -2,-0.5 3,-0.2 -0.852 65.9 -23.0-106.8 122.1 15.2 1.6 7.8 29 28 A D - 0 0 2 22,-3.4 2,-1.4 -2,-0.6 -1,-0.2 0.920 68.4-163.2 50.5 60.3 15.4 1.6 11.6 30 29 A P + 0 0 0 0, 0.0 32,-2.4 0, 0.0 33,-0.3 -0.585 16.7 172.9 -76.8 93.3 13.9 -1.8 12.3 31 30 A G S S+ 0 0 3 -2,-1.4 2,-0.4 27,-0.6 28,-0.2 0.764 74.0 34.6 -69.8 -26.9 13.1 -1.5 16.0 32 31 A E > - 0 0 69 29,-0.2 4,-0.5 26,-0.2 -1,-0.2 -0.999 65.8-161.2-130.0 132.9 11.3 -4.8 15.9 33 32 A A H > S+ 0 0 4 -2,-0.4 4,-3.0 2,-0.1 3,-0.4 0.869 81.0 67.9 -79.4 -38.9 12.4 -7.7 13.7 34 33 A A H > S+ 0 0 47 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.894 100.4 45.3 -55.1 -49.8 9.2 -9.7 13.7 35 34 A P H > S+ 0 0 28 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.853 115.6 50.1 -63.0 -31.5 7.0 -7.3 11.7 36 35 A V H X S+ 0 0 0 -4,-0.5 4,-3.1 -3,-0.4 -2,-0.2 0.922 108.8 50.1 -72.9 -43.0 9.8 -6.9 9.2 37 36 A L H X S+ 0 0 33 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.924 112.4 48.9 -59.7 -42.7 10.3 -10.6 8.8 38 37 A K H X S+ 0 0 151 -4,-2.5 4,-2.5 -5,-0.3 -1,-0.2 0.923 112.8 46.8 -63.2 -42.5 6.6 -11.0 8.2 39 38 A A H X S+ 0 0 12 -4,-2.1 4,-2.9 2,-0.2 6,-0.3 0.909 109.8 53.1 -67.5 -42.0 6.6 -8.1 5.6 40 39 A I H X>S+ 0 0 7 -4,-3.1 5,-1.9 1,-0.2 4,-1.0 0.943 112.3 45.9 -57.5 -45.7 9.7 -9.5 3.9 41 40 A A H <5S+ 0 0 67 -4,-2.3 3,-0.2 -5,-0.2 -2,-0.2 0.906 113.4 49.3 -63.3 -42.5 7.9 -12.8 3.6 42 41 A E H <5S+ 0 0 159 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.904 120.8 34.2 -65.2 -42.9 4.7 -11.2 2.4 43 42 A H H <5S- 0 0 75 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.491 102.6-128.6 -88.5 -5.6 6.3 -9.1 -0.3 44 43 A K T <5 + 0 0 171 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.1 0.917 46.5 176.4 50.6 44.9 9.0 -11.7 -1.1 45 44 A W < - 0 0 16 -5,-1.9 -21,-0.2 -6,-0.3 -1,-0.2 -0.452 30.6-140.8 -73.7 154.0 11.5 -8.9 -0.6 46 45 A M E -d 24 0A 73 -23,-2.8 -21,-1.8 -2,-0.1 2,-0.1 -0.918 23.7-138.0-115.9 99.8 15.2 -9.7 -0.8 47 46 A P E +d 25 0A 5 0, 0.0 -21,-0.2 0, 0.0 3,-0.1 -0.362 32.0 167.2 -65.8 132.9 16.8 -7.7 1.9 48 47 A E E - 0 0 66 -23,-3.2 26,-1.6 1,-0.4 2,-0.3 0.668 60.7 -5.5-110.3 -33.8 20.0 -6.0 0.9 49 48 A A E -de 26 74A 0 -24,-1.6 -22,-2.4 24,-0.3 2,-0.4 -0.992 47.7-135.9-158.2 161.3 20.5 -3.6 3.7 50 49 A I E -de 27 75A 0 24,-2.4 26,-3.2 -2,-0.3 2,-0.5 -0.970 19.3-152.5-118.2 139.8 19.4 -1.9 6.9 51 50 A F E -de 28 76A 0 -24,-2.6 -22,-3.4 -2,-0.4 2,-0.5 -0.969 8.7-164.9-107.0 129.7 19.8 1.8 7.4 52 51 A L - 0 0 0 24,-2.5 3,-0.1 -2,-0.5 29,-0.1 -0.950 10.5-173.7-111.4 133.6 20.1 3.0 11.0 53 52 A T - 0 0 0 -2,-0.5 63,-2.5 1,-0.3 2,-0.3 0.773 68.8 -12.6 -93.0 -31.1 19.6 6.6 11.7 54 53 A H S S- 0 0 0 61,-0.2 -1,-0.3 2,-0.2 5,-0.1 -0.964 71.0 -95.1-166.1 175.4 20.5 6.6 15.3 55 54 A H + 0 0 43 -2,-0.3 5,-0.1 -3,-0.1 4,-0.0 0.515 68.9 127.9 -85.4 -5.9 21.2 4.4 18.2 56 55 A H >> - 0 0 31 1,-0.1 3,-2.3 3,-0.1 4,-1.2 -0.163 65.0-123.1 -61.1 144.4 17.8 4.3 19.9 57 56 A H H 3> S+ 0 0 130 1,-0.3 4,-2.6 2,-0.2 3,-0.4 0.832 109.1 60.8 -55.7 -39.6 16.4 1.0 20.7 58 57 A D H 34 S+ 0 0 36 1,-0.2 -27,-0.6 2,-0.2 -1,-0.3 0.594 113.1 40.6 -69.1 -5.2 13.2 1.6 18.8 59 58 A H H <4 S+ 0 0 0 -3,-2.3 -1,-0.2 -28,-0.2 -2,-0.2 0.621 127.5 26.6-109.7 -20.1 15.3 2.0 15.7 60 59 A V H >< S+ 0 0 10 -4,-1.2 3,-2.1 -3,-0.4 4,-0.4 0.494 85.9 101.7-122.9 -9.0 17.9 -0.7 16.2 61 60 A G T 3< S+ 0 0 32 -4,-2.6 4,-0.4 1,-0.3 3,-0.3 0.809 86.1 46.5 -52.6 -36.9 16.2 -3.4 18.3 62 61 A G T 3> S+ 0 0 3 -32,-2.4 4,-2.4 -5,-0.2 -1,-0.3 0.479 85.2 94.7 -88.7 -1.1 15.5 -5.7 15.4 63 62 A V H <> S+ 0 0 0 -3,-2.1 4,-2.9 -33,-0.3 5,-0.2 0.923 81.7 49.4 -59.5 -51.3 18.9 -5.5 13.7 64 63 A K H > S+ 0 0 139 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.931 114.8 43.8 -59.3 -45.2 20.5 -8.6 15.2 65 64 A E H > S+ 0 0 88 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.905 113.6 50.8 -68.8 -38.8 17.6 -10.9 14.5 66 65 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.918 110.7 49.6 -63.7 -39.7 17.2 -9.5 11.0 67 66 A L H < S+ 0 0 35 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.857 106.1 56.7 -64.8 -36.0 20.8 -10.1 10.3 68 67 A Q H < S+ 0 0 133 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.906 114.2 39.6 -60.8 -39.4 20.5 -13.6 11.7 69 68 A H H < S+ 0 0 102 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.811 129.3 29.7 -79.6 -31.6 17.9 -14.2 9.0 70 69 A F >< + 0 0 37 -4,-2.4 3,-2.1 -5,-0.2 -1,-0.2 -0.634 62.5 167.9-132.5 74.1 19.5 -12.3 6.3 71 70 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.625 72.1 74.7 -63.9 -13.8 23.3 -12.4 6.8 72 71 A Q T 3 S+ 0 0 120 -25,-0.1 2,-0.1 -3,-0.1 -5,-0.1 0.633 79.2 103.6 -70.7 -14.8 23.7 -11.0 3.3 73 72 A M < - 0 0 10 -3,-2.1 2,-0.4 -6,-0.2 -24,-0.3 -0.355 62.6-145.2 -75.8 147.6 22.7 -7.6 4.5 74 73 A T E -e 49 0A 46 -26,-1.6 -24,-2.4 -2,-0.1 2,-0.7 -0.904 13.8-146.6 -98.8 138.7 24.9 -4.7 5.2 75 74 A V E -e 50 0A 0 -2,-0.4 12,-2.7 -26,-0.2 13,-2.3 -0.930 13.8-160.8-107.4 108.4 23.7 -2.6 8.2 76 75 A Y E +ef 51 88A 23 -26,-3.2 -24,-2.5 -2,-0.7 13,-0.2 -0.714 27.8 138.3 -85.8 137.4 24.6 1.0 7.5 77 76 A G E - f 0 89A 0 11,-1.9 13,-2.4 -2,-0.4 -24,-0.1 -0.972 51.4 -91.2-169.0 163.7 24.6 3.3 10.5 78 77 A P > - 0 0 4 0, 0.0 3,-2.7 0, 0.0 4,-0.2 -0.263 53.9 -93.0 -73.5 167.9 26.5 6.1 12.2 79 78 A A G > S+ 0 0 51 11,-0.4 3,-2.4 1,-0.3 4,-0.3 0.836 123.9 66.8 -50.7 -34.7 29.3 5.3 14.6 80 79 A E G 3 S+ 0 0 44 1,-0.3 -1,-0.3 34,-0.2 3,-0.2 0.605 100.6 50.5 -68.8 -7.7 26.8 5.5 17.5 81 80 A T G X >S+ 0 0 0 -3,-2.7 5,-2.1 1,-0.1 3,-2.0 0.303 76.7 104.5-105.8 9.2 25.2 2.4 16.1 82 81 A Q G X 5S+ 0 0 101 -3,-2.4 3,-0.5 1,-0.3 -2,-0.1 0.834 88.1 41.6 -59.3 -32.8 28.4 0.5 15.9 83 82 A D G 3 5S+ 0 0 143 -4,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.355 105.6 66.6 -94.3 4.8 27.4 -1.5 18.9 84 83 A K G < 5S- 0 0 89 -3,-2.0 -1,-0.2 -21,-0.0 -2,-0.2 0.245 130.0 -81.7-106.3 9.2 23.8 -1.8 17.7 85 84 A G T < 5S+ 0 0 23 -3,-0.5 -3,-0.2 1,-0.3 -10,-0.2 0.436 73.5 155.6 108.7 -0.4 24.8 -4.0 14.8 86 85 A A < - 0 0 15 -5,-2.1 -1,-0.3 1,-0.2 -10,-0.2 -0.366 16.8-178.6 -56.5 135.6 26.0 -1.5 12.2 87 86 A T S S+ 0 0 89 -12,-2.7 2,-0.4 1,-0.3 -11,-0.2 0.495 74.3 42.1-112.1 -12.0 28.4 -3.3 9.8 88 87 A H E S-f 76 0A 75 -13,-2.3 -11,-1.9 -10,-0.1 2,-0.3 -0.909 80.8-144.8-137.9 106.7 29.2 -0.3 7.7 89 88 A L E -f 77 0A 83 -2,-0.4 2,-0.4 -13,-0.2 -13,-0.1 -0.547 16.0-159.1 -76.2 132.8 29.7 3.0 9.5 90 89 A V - 0 0 8 -13,-2.4 -11,-0.4 -2,-0.3 2,-0.3 -0.876 7.4-169.4-112.8 146.8 28.5 6.0 7.7 91 90 A G > - 0 0 29 -2,-0.4 3,-2.2 -13,-0.1 14,-0.2 -0.783 40.8 -60.8-125.5 171.6 29.5 9.5 8.2 92 91 A D T 3 S+ 0 0 99 -2,-0.3 14,-0.2 1,-0.3 3,-0.1 -0.246 120.9 12.8 -52.4 129.9 28.4 13.0 7.1 93 92 A G T 3 S+ 0 0 54 12,-2.2 -1,-0.3 1,-0.3 13,-0.1 0.334 89.3 145.1 86.3 -8.8 28.5 13.4 3.3 94 93 A D < - 0 0 59 -3,-2.2 11,-3.3 10,-0.1 2,-0.4 -0.294 36.1-152.7 -59.7 147.0 28.9 9.7 2.5 95 94 A T E -G 104 0B 64 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.980 14.3-173.5-116.5 136.5 27.3 8.3 -0.6 96 95 A I E -G 103 0B 10 7,-2.5 7,-2.9 -2,-0.4 2,-0.7 -0.958 23.6-131.9-131.7 150.5 26.4 4.7 -0.6 97 96 A R E +G 102 0B 144 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.900 38.5 160.6-102.5 109.8 25.0 2.5 -3.4 98 97 A V E > +G 101 0B 0 3,-2.7 3,-2.4 -2,-0.7 -72,-0.1 -0.999 68.6 0.4-134.4 134.6 22.1 0.5 -2.1 99 98 A L T 3 S- 0 0 4 -2,-0.4 -78,-0.2 1,-0.3 -77,-0.1 0.711 128.9 -65.8 60.5 19.6 19.4 -1.2 -4.2 100 99 A G T 3 S+ 0 0 47 1,-0.3 -1,-0.3 -80,-0.1 2,-0.3 0.413 117.2 109.3 81.4 -1.4 21.4 0.2 -7.1 101 100 A E E < S-G 98 0B 61 -3,-2.4 -3,-2.7 -100,-0.0 2,-0.5 -0.695 71.5-115.6-106.5 160.1 20.5 3.7 -6.1 102 101 A K E -G 97 0B 109 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.824 27.7-168.4 -98.1 127.8 22.7 6.4 -4.5 103 102 A F E -G 96 0B 0 -7,-2.9 -7,-2.5 -2,-0.5 2,-0.4 -0.957 10.0-147.6-113.6 136.7 22.0 7.5 -1.0 104 103 A T E -GH 95 119B 56 15,-3.6 15,-2.7 -2,-0.4 2,-0.4 -0.858 11.1-148.9-101.2 135.3 23.5 10.5 0.5 105 104 A L E - H 0 118B 0 -11,-3.3 -12,-2.2 -2,-0.4 2,-0.4 -0.845 15.8-179.6 -98.8 136.9 24.2 10.6 4.2 106 105 A F E - H 0 117B 23 11,-2.2 11,-2.6 -2,-0.4 2,-0.3 -0.996 28.1-121.2-136.1 140.4 24.1 13.7 6.2 107 106 A A E - H 0 116B 23 -2,-0.4 9,-0.3 9,-0.2 8,-0.1 -0.547 25.9-179.5 -72.2 131.8 24.7 14.1 9.9 108 107 A T - 0 0 0 7,-2.9 3,-0.5 -2,-0.3 4,-0.4 -0.579 10.9-174.3-130.9 69.8 21.8 15.6 11.7 109 108 A P + 0 0 18 0, 0.0 40,-0.4 0, 0.0 4,-0.2 -0.275 48.0 80.3 -62.5 151.5 22.9 15.9 15.3 110 109 A G S S+ 0 0 0 2,-1.8 31,-3.0 35,-0.1 30,-1.1 -0.490 89.4 47.3 153.8 -70.1 20.3 17.0 17.9 111 110 A H S S- 0 0 6 -3,-0.5 29,-0.9 1,-0.3 28,-0.5 0.961 139.1 -1.4 -62.0 -54.1 18.1 14.1 18.9 112 111 A T S > S- 0 0 0 -4,-0.4 -2,-1.8 27,-0.2 3,-0.6 -0.918 78.6-118.2-124.7 165.6 21.3 12.1 19.2 113 112 A L T 3 S+ 0 0 98 -2,-0.3 -2,-0.1 -4,-0.2 -1,-0.1 0.850 113.3 39.0 -68.4 -32.5 24.8 13.3 18.6 114 113 A G T 3 S+ 0 0 21 -5,-0.1 -1,-0.2 -6,-0.1 -34,-0.2 0.309 80.6 140.1-103.7 8.2 25.4 10.8 15.8 115 114 A H < - 0 0 0 -3,-0.6 -7,-2.9 -7,-0.1 2,-0.3 -0.203 29.5-172.4 -54.9 136.6 22.0 10.8 14.1 116 115 A V E -H 107 0B 4 -63,-2.5 2,-0.4 -9,-0.3 -9,-0.2 -0.911 15.1-143.5-127.8 160.8 22.2 10.7 10.4 117 116 A C E -H 106 0B 0 -11,-2.6 -11,-2.2 -2,-0.3 2,-0.5 -0.927 9.9-144.2-119.5 149.1 19.7 11.0 7.6 118 117 A Y E -HI 105 125B 0 7,-2.1 7,-3.3 -2,-0.4 2,-0.4 -0.949 18.3-173.2-114.0 132.4 19.7 9.1 4.3 119 118 A F E +HI 104 124B 27 -15,-2.7 -15,-3.6 -2,-0.5 2,-0.3 -0.986 21.7 159.3-131.6 127.4 18.6 10.8 1.2 120 119 A S E > - I 0 123B 11 3,-2.4 3,-2.4 -2,-0.4 -17,-0.1 -0.841 67.0 -69.0-140.5 103.8 18.0 9.4 -2.2 121 120 A R T 3 S+ 0 0 156 1,-0.4 -19,-0.1 -2,-0.3 39,-0.1 0.013 120.7 5.4 -44.8 128.2 15.8 11.8 -4.0 122 121 A P T 3 S+ 0 0 32 0, 0.0 39,-3.3 0, 0.0 -1,-0.4 -0.987 115.1 85.0 -94.0 2.9 13.0 12.0 -3.2 123 122 A Y E < -Ij 120 161B 26 -3,-2.4 -3,-2.4 37,-0.2 2,-0.5 -0.491 47.9-178.4 -77.3 126.3 13.3 9.7 -0.2 124 123 A L E -Ij 119 162B 0 37,-2.8 39,-3.1 -2,-0.3 2,-0.9 -0.970 10.7-166.7-120.6 116.1 14.5 11.2 3.1 125 124 A F E +Ij 118 163B 0 -7,-3.3 -7,-2.1 -2,-0.5 39,-0.2 -0.874 20.1 163.3 -98.8 102.2 14.9 8.9 6.0 126 125 A C E >> - 0 0 0 -2,-0.9 3,-2.9 37,-0.7 4,-0.7 0.176 22.6-162.0-112.1 16.1 15.3 11.3 8.8 127 126 A G E 34 - j 0 164B 2 36,-0.6 38,-2.7 1,-0.3 39,-0.4 -0.102 69.7 -19.1 49.5-117.9 14.6 9.0 11.7 128 127 A D T 34 S+ 0 0 4 36,-0.2 -1,-0.3 37,-0.1 8,-0.1 0.098 117.7 88.6-109.3 18.8 13.8 11.1 14.7 129 128 A T T <4 S+ 0 0 0 -3,-2.9 7,-2.1 1,-0.3 2,-0.4 0.943 98.3 19.2 -80.7 -51.0 15.3 14.4 13.5 130 129 A L E < -L 135 0C 0 -4,-0.7 -1,-0.3 5,-0.3 2,-0.3 -0.962 68.6-177.1-119.6 135.7 12.3 15.7 11.7 131 130 A F E > -L 134 0C 5 3,-1.6 3,-1.7 -2,-0.4 2,-0.5 -0.852 46.9 -83.2-118.1 163.7 8.7 14.6 12.3 132 131 A S T 3 S- 0 0 0 34,-0.4 40,-0.2 -2,-0.3 41,-0.2 -0.567 120.0 -0.3 -67.2 122.3 5.7 15.8 10.5 133 132 A G T 3 S+ 0 0 1 -2,-0.5 83,-0.4 1,-0.2 -1,-0.3 0.452 138.5 33.8 78.2 1.2 4.8 19.0 12.3 134 133 A G E < -L 131 0C 0 -3,-1.7 -3,-1.6 81,-0.1 2,-0.3 -0.745 70.0-122.0-156.2-158.7 7.7 18.6 14.7 135 134 A C E -L 130 0C 4 -5,-0.3 -5,-0.3 -2,-0.2 -6,-0.2 -0.964 43.3 -69.2-156.8 168.5 11.2 17.4 15.3 136 135 A G - 0 0 0 -7,-2.1 2,-0.1 -2,-0.3 -7,-0.1 -0.291 50.8-107.8 -64.7 144.8 13.1 15.1 17.6 137 136 A R - 0 0 114 1,-0.1 2,-1.8 112,-0.1 3,-0.2 -0.481 38.2-111.6 -63.9 144.9 13.4 15.8 21.2 138 137 A L + 0 0 36 1,-0.2 -27,-0.2 -2,-0.1 -1,-0.1 -0.529 53.4 156.2 -87.4 78.1 17.0 16.9 22.0 139 138 A F S S+ 0 0 123 -2,-1.8 -1,-0.2 -28,-0.5 -28,-0.2 0.863 81.1 0.8 -68.4 -35.0 18.2 14.0 24.0 140 139 A E S S+ 0 0 77 -30,-1.1 -29,-0.2 -29,-0.9 -28,-0.2 0.684 116.6 67.1-125.6 -34.6 21.9 14.5 23.2 141 140 A G S S- 0 0 11 -31,-3.0 -28,-0.1 1,-0.1 -27,-0.0 -0.318 76.3-104.0 -94.7 175.8 22.4 17.5 21.0 142 141 A T > - 0 0 67 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.543 30.4-111.3 -92.8 161.9 22.0 21.2 21.4 143 142 A P H > S+ 0 0 49 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.876 121.1 57.9 -56.3 -37.0 19.2 23.3 20.0 144 143 A S H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.917 106.7 47.5 -60.3 -42.9 21.9 24.8 17.7 145 144 A Q H > S+ 0 0 64 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.948 113.5 46.0 -64.0 -48.0 22.7 21.4 16.4 146 145 A M H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.908 111.4 53.2 -63.1 -38.3 19.1 20.5 15.8 147 146 A Y H X S+ 0 0 12 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.939 111.1 45.7 -61.1 -46.3 18.5 23.8 14.2 148 147 A Q H X S+ 0 0 87 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.917 113.1 51.7 -58.7 -43.8 21.4 23.3 11.8 149 148 A S H X S+ 0 0 0 -4,-2.9 4,-2.3 -40,-0.4 -2,-0.2 0.903 109.5 48.5 -62.2 -42.3 20.1 19.8 11.2 150 149 A L H X S+ 0 0 3 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.859 109.0 53.3 -68.5 -34.1 16.7 21.0 10.4 151 150 A M H X S+ 0 0 77 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.884 107.2 52.7 -67.1 -35.7 18.1 23.6 8.0 152 151 A K H >< S+ 0 0 67 -4,-2.2 3,-0.6 2,-0.2 4,-0.2 0.958 113.4 42.9 -61.7 -47.8 20.0 20.9 6.2 153 152 A I H >< S+ 0 0 0 -4,-2.3 3,-2.1 1,-0.2 -2,-0.2 0.930 111.0 55.2 -63.4 -42.8 16.7 18.9 5.8 154 153 A N H 3< S+ 0 0 49 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.713 98.4 64.4 -64.8 -18.9 14.8 22.1 4.9 155 154 A S T << S+ 0 0 95 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.535 82.5 103.7 -81.5 -6.5 17.4 22.7 2.1 156 155 A L S < S- 0 0 23 -3,-2.1 -3,-0.0 -4,-0.2 -32,-0.0 -0.236 87.5 -73.9 -73.2 165.8 16.3 19.5 0.4 157 156 A P > - 0 0 40 0, 0.0 3,-2.0 0, 0.0 51,-0.2 -0.169 40.1-113.5 -63.5 155.3 14.1 19.6 -2.7 158 157 A D T 3 S+ 0 0 75 1,-0.3 51,-2.5 50,-0.1 52,-0.3 0.808 115.1 57.8 -54.2 -33.3 10.4 20.4 -2.4 159 158 A D T 3 S+ 0 0 69 49,-0.2 -1,-0.3 48,-0.1 -3,-0.0 0.401 75.6 135.1 -85.2 4.9 9.5 17.0 -3.5 160 159 A T < - 0 0 0 -3,-2.0 48,-3.0 47,-0.1 2,-0.8 -0.283 53.0-137.3 -55.8 129.2 11.4 15.3 -0.7 161 160 A L E -jK 123 207B 39 -39,-3.3 -37,-2.8 46,-0.2 2,-0.9 -0.838 13.7-143.4 -92.1 111.8 9.4 12.6 0.9 162 161 A I E -jK 124 206B 0 44,-3.7 44,-1.3 -2,-0.8 2,-0.8 -0.675 20.6-178.9 -78.9 106.0 9.9 12.9 4.7 163 162 A C E +j 125 0B 1 -39,-3.1 -37,-0.7 -2,-0.9 -36,-0.6 -0.753 14.6 169.9-109.8 78.9 10.0 9.3 6.0 164 163 A C E -j 127 0B 0 -2,-0.8 -36,-0.2 -39,-0.2 -33,-0.1 -0.415 39.2-116.2 -90.2 172.0 10.5 9.9 9.6 165 164 A A S S+ 0 0 3 -38,-2.7 -151,-2.5 -35,-0.2 2,-0.4 0.626 79.8 61.6 -90.2 -16.4 10.2 7.2 12.2 166 165 A H B -B 13 0A 4 -39,-0.4 2,-2.0 -153,-0.2 -34,-0.4 -0.930 66.4-133.2-128.9 142.9 7.2 8.1 14.4 167 166 A E + 0 0 17 -155,-2.8 4,-0.2 -2,-0.4 -154,-0.1 -0.552 65.8 124.5 -80.1 70.1 3.5 8.7 14.2 168 167 A Y > + 0 0 80 -2,-2.0 4,-2.7 1,-0.1 -1,-0.2 0.309 33.3 107.6-108.5 3.6 3.8 11.9 16.2 169 168 A T H > S+ 0 0 0 -3,-0.2 4,-2.7 1,-0.2 5,-0.2 0.891 76.0 47.6 -58.9 -49.5 2.1 14.1 13.6 170 169 A L H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.941 115.8 44.5 -59.6 -48.4 -1.2 14.6 15.4 171 170 A A H > S+ 0 0 53 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.890 112.7 54.4 -61.5 -39.0 0.4 15.5 18.7 172 171 A N H X S+ 0 0 2 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.912 109.7 45.4 -61.3 -42.4 2.9 17.7 16.8 173 172 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -1,-0.2 0.873 108.1 56.3 -73.5 -35.0 0.1 19.6 15.1 174 173 A K H X S+ 0 0 96 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.927 110.0 47.4 -59.2 -42.0 -1.8 20.0 18.4 175 174 A F H >X S+ 0 0 2 -4,-2.3 3,-1.3 1,-0.2 4,-0.6 0.946 109.5 53.2 -61.1 -45.6 1.4 21.6 19.7 176 175 A A H >X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.3 3,-1.5 0.892 105.3 54.1 -58.0 -39.3 1.6 23.7 16.6 177 176 A L H 3< S+ 0 0 27 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.688 98.4 63.6 -70.9 -17.0 -1.9 25.0 17.1 178 177 A S H << S+ 0 0 46 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.676 114.3 34.1 -75.7 -15.8 -1.0 26.0 20.6 179 178 A I H << S+ 0 0 3 -3,-1.5 -2,-0.2 -4,-0.6 -3,-0.1 0.840 136.6 18.7-102.0 -52.9 1.5 28.4 19.0 180 179 A L S >< S+ 0 0 13 -4,-2.8 3,-1.9 1,-0.1 -2,-0.2 -0.662 70.1 169.9-120.0 74.3 -0.3 29.5 15.8 181 180 A P T 3 S+ 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.722 78.7 43.6 -59.6 -24.0 -3.9 28.6 16.5 182 181 A H T 3 S+ 0 0 173 -3,-0.1 2,-0.3 4,-0.0 -5,-0.1 0.290 76.3 132.4-109.7 10.3 -5.1 30.5 13.5 183 182 A D <> - 0 0 15 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 -0.468 49.6-147.7 -66.6 125.8 -2.6 29.4 10.9 184 183 A S H > S+ 0 0 82 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.910 94.1 46.1 -63.3 -45.0 -4.5 28.3 7.8 185 184 A F H > S+ 0 0 87 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.927 114.0 47.2 -65.1 -45.9 -2.0 25.7 6.8 186 185 A I H > S+ 0 0 0 27,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.912 112.8 49.6 -65.9 -39.6 -1.6 24.1 10.2 187 186 A N H X S+ 0 0 63 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.922 111.2 48.9 -64.3 -41.8 -5.4 24.1 10.7 188 187 A E H X S+ 0 0 98 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.926 113.6 47.2 -61.5 -43.9 -5.9 22.4 7.3 189 188 A Y H X S+ 0 0 30 -4,-2.6 4,-3.5 2,-0.2 5,-0.3 0.902 107.6 55.5 -66.2 -41.0 -3.3 19.9 8.2 190 189 A Y H X S+ 0 0 52 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.932 108.4 49.5 -54.8 -46.5 -4.8 19.3 11.6 191 190 A R H X S+ 0 0 140 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.943 114.0 44.5 -58.9 -47.8 -8.0 18.4 10.0 192 191 A K H X S+ 0 0 105 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.933 115.4 47.3 -63.4 -45.1 -6.4 16.1 7.5 193 192 A V H X S+ 0 0 0 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.884 108.2 55.1 -68.2 -38.0 -4.3 14.4 10.2 194 193 A K H X S+ 0 0 80 -4,-2.9 4,-2.8 -5,-0.3 -1,-0.2 0.917 108.8 48.6 -60.2 -41.7 -7.1 14.0 12.6 195 194 A E H X S+ 0 0 109 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.918 111.8 48.8 -69.0 -39.4 -9.1 12.1 10.0 196 195 A L H <>S+ 0 0 55 -4,-2.2 5,-3.0 1,-0.2 -1,-0.2 0.955 114.9 44.9 -59.9 -48.4 -6.2 9.9 9.1 197 196 A R H ><5S+ 0 0 81 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.892 108.5 54.4 -68.6 -39.3 -5.6 9.1 12.8 198 197 A V H 3<5S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.860 110.6 48.8 -61.8 -31.9 -9.2 8.5 13.6 199 198 A K T 3<5S- 0 0 130 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.316 119.3-115.3 -86.4 6.5 -9.2 6.0 10.8 200 199 A K T < 5 + 0 0 183 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.861 69.0 143.6 61.1 37.7 -6.0 4.4 12.2 201 200 A Q < - 0 0 79 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.1 -0.837 52.8-109.8-109.0 145.8 -4.1 5.5 9.1 202 201 A M - 0 0 53 -2,-0.4 -1,-0.1 1,-0.1 -35,-0.0 -0.307 11.9-147.2 -72.8 159.4 -0.6 6.7 9.1 203 202 A T + 0 0 9 -7,-0.0 -1,-0.1 -71,-0.0 -10,-0.0 0.299 54.0 136.9-107.4 7.6 0.3 10.3 8.4 204 203 A L + 0 0 9 2,-0.1 2,-0.2 -41,-0.0 -41,-0.1 -0.839 32.8 34.1-124.2 156.9 3.6 9.6 6.7 205 204 A P - 0 0 47 0, 0.0 2,-0.3 0, 0.0 -42,-0.2 0.581 67.2-173.1 -82.2 173.0 5.4 10.2 4.5 206 205 A V E -K 162 0B 16 -44,-1.3 -44,-3.7 -2,-0.2 2,-0.4 -0.914 26.8-111.5-127.7 155.5 4.9 13.8 3.8 207 206 A I E >> -K 161 0B 71 -2,-0.3 4,-3.0 -46,-0.2 3,-1.2 -0.745 21.4-133.9 -91.0 132.6 6.3 16.0 1.1 208 207 A L H 3> S+ 0 0 0 -48,-3.0 4,-2.7 -2,-0.4 5,-0.2 0.862 103.2 61.7 -55.7 -40.1 8.7 18.6 2.3 209 208 A K H 34 S+ 0 0 103 -51,-2.5 -1,-0.3 1,-0.2 4,-0.2 0.863 115.9 33.6 -53.2 -37.8 7.1 21.4 0.3 210 209 A N H X> S+ 0 0 78 -3,-1.2 3,-1.5 -52,-0.3 4,-0.8 0.869 112.8 60.6 -85.5 -41.0 4.0 20.9 2.4 211 210 A E H >X S+ 0 0 2 -4,-3.0 4,-1.4 1,-0.3 3,-1.3 0.886 99.0 56.6 -54.7 -41.4 5.7 19.9 5.6 212 211 A R H 3< S+ 0 0 59 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.692 101.0 59.2 -72.3 -13.1 7.5 23.2 5.8 213 212 A K H <4 S+ 0 0 78 -3,-1.5 -1,-0.3 -5,-0.2 -27,-0.2 0.746 118.3 28.8 -79.1 -24.2 4.2 25.0 5.7 214 213 A I H << S+ 0 0 8 -3,-1.3 2,-0.8 -4,-0.8 -2,-0.2 0.425 98.5 90.6-118.5 -1.2 2.9 23.2 8.8 215 214 A N >< - 0 0 0 -4,-1.4 3,-2.3 -5,-0.2 4,-0.3 -0.849 54.7-164.0-103.4 106.9 6.1 22.5 10.8 216 215 A L G > S+ 0 0 1 -2,-0.8 3,-1.3 -83,-0.4 6,-0.2 0.806 90.1 62.6 -60.1 -26.2 6.9 25.3 13.1 217 216 A F G 3 S+ 0 0 3 1,-0.3 -1,-0.3 2,-0.2 3,-0.2 0.590 106.1 45.3 -77.5 -9.1 10.4 24.0 13.5 218 217 A L G < S+ 0 0 18 -3,-2.3 -1,-0.3 -7,-0.2 -2,-0.2 0.267 106.5 63.0-105.6 5.1 10.9 24.7 9.8 219 218 A R X + 0 0 21 -3,-1.3 3,-2.1 -4,-0.3 6,-0.2 0.015 58.4 126.8-118.8 26.8 9.3 28.1 10.1 220 219 A T T 3 S+ 0 0 5 1,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.796 81.5 42.1 -57.0 -30.6 11.8 29.7 12.4 221 220 A E T 3 S+ 0 0 118 -3,-0.2 2,-0.3 4,-0.1 -1,-0.3 0.353 86.1 121.7-100.9 8.1 12.2 32.6 10.1 222 221 A D <> - 0 0 44 -3,-2.1 4,-3.0 -6,-0.2 5,-0.2 -0.555 62.9-138.1 -72.7 129.8 8.5 32.9 9.3 223 222 A I H > S+ 0 0 105 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.879 102.0 53.4 -54.0 -44.6 7.1 36.4 10.1 224 223 A D H > S+ 0 0 91 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.911 113.2 42.3 -60.4 -44.4 3.9 35.0 11.6 225 224 A L H > S+ 0 0 2 -6,-0.2 4,-2.7 2,-0.2 5,-0.2 0.923 114.7 50.4 -69.5 -43.8 5.8 32.6 14.0 226 225 A I H X S+ 0 0 27 -4,-3.0 4,-3.0 1,-0.2 -2,-0.2 0.940 109.6 51.7 -59.4 -45.2 8.4 35.3 14.8 227 226 A N H X S+ 0 0 86 -4,-3.2 4,-0.5 -5,-0.2 -1,-0.2 0.877 110.5 49.1 -59.3 -38.6 5.6 37.7 15.6 228 227 A E H >< S+ 0 0 40 -4,-1.7 3,-1.3 -5,-0.2 4,-0.3 0.949 112.7 45.3 -66.1 -49.1 4.0 35.2 17.9 229 228 A I H >X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.3 3,-2.5 0.917 106.4 61.8 -61.8 -40.0 7.2 34.4 19.8 230 229 A N H 3< S+ 0 0 61 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.670 88.4 72.5 -57.1 -20.2 7.8 38.2 20.0 231 230 A K T << S+ 0 0 149 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.675 116.8 17.8 -69.0 -15.3 4.6 38.4 22.0 232 231 A E T <4 S+ 0 0 128 -3,-2.5 2,-0.3 1,-0.4 -2,-0.2 0.624 132.9 11.0-129.6 -29.9 6.4 36.8 24.9 233 232 A T < - 0 0 43 -4,-2.5 2,-0.8 2,-0.1 -1,-0.4 -0.982 59.8-131.6-156.6 144.4 10.2 37.0 24.3 234 233 A I + 0 0 103 -2,-0.3 2,-0.5 -3,-0.1 -4,-0.1 -0.870 33.2 166.4-100.7 107.0 12.5 38.8 22.0 235 234 A L - 0 0 46 -2,-0.8 6,-0.1 1,-0.2 -5,-0.1 -0.923 16.8-175.7-125.8 105.5 15.1 36.4 20.6 236 235 A Q + 0 0 155 -2,-0.5 -1,-0.2 4,-0.1 5,-0.0 0.923 65.2 81.6 -64.6 -44.5 17.1 37.7 17.6 237 236 A Q S > S- 0 0 128 1,-0.1 4,-1.8 2,-0.1 3,-0.4 -0.439 71.8-146.1 -70.7 128.4 18.9 34.3 17.1 238 237 A P H > S+ 0 0 29 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.911 102.1 56.5 -57.4 -44.1 16.9 31.7 15.1 239 238 A E H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.857 105.8 52.5 -55.1 -37.1 18.5 28.9 17.2 240 239 A A H > S+ 0 0 27 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.897 112.0 43.1 -68.5 -41.4 17.2 30.7 20.3 241 240 A R H X S+ 0 0 11 -4,-1.8 4,-2.8 2,-0.2 -2,-0.2 0.884 114.7 49.8 -73.1 -37.7 13.6 30.8 18.9 242 241 A F H X S+ 0 0 0 -4,-3.4 4,-2.9 2,-0.2 -2,-0.2 0.939 112.1 49.4 -60.4 -45.1 13.9 27.3 17.7 243 242 A A H X S+ 0 0 27 -4,-2.7 4,-2.7 -5,-0.3 -2,-0.2 0.898 110.1 51.2 -59.1 -41.1 15.2 26.4 21.2 244 243 A W H X S+ 0 0 49 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.947 112.6 44.6 -61.6 -49.2 12.2 28.3 22.7 245 244 A L H X S+ 0 0 1 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.884 113.3 51.2 -63.1 -40.2 9.8 26.4 20.5 246 245 A R H X S+ 0 0 10 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.905 109.9 49.8 -65.9 -39.4 11.5 23.1 21.3 247 246 A S H X S+ 0 0 68 -4,-2.7 4,-1.2 2,-0.2 -2,-0.2 0.918 110.6 50.3 -63.9 -42.2 11.4 23.9 25.0 248 247 A K H X S+ 0 0 66 -4,-2.5 4,-0.9 1,-0.2 3,-0.5 0.906 111.1 48.6 -60.5 -41.1 7.7 24.6 24.6 249 248 A K H >< S+ 0 0 38 -4,-2.4 3,-0.5 1,-0.2 -1,-0.2 0.882 102.3 64.2 -68.1 -36.1 7.2 21.3 22.8 250 249 A D H 3< S+ 0 0 51 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.832 115.4 28.9 -53.1 -38.0 9.2 19.5 25.5 251 250 A T H 3< 0 0 118 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.454 360.0 360.0-107.8 -2.3 6.5 20.4 28.1 252 251 A F << 0 0 147 -4,-0.9 -2,-0.1 -3,-0.5 -3,-0.1 0.924 360.0 360.0 -62.6 360.0 3.4 20.6 26.0