==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-12 4DNO . COMPND 2 MOLECULE: PUTATIVE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR C.D.BAHL,Y.R.PATANKAR,D.R.MADDEN . 1181 4 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38415.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 808 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 10.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 48 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 198 16.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 347 29.4 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+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 9 3 14 1 0 1 0 11 8 1 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 4 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 PARALLEL BRIDGES PER LADDER . 2 2 0 0 4 0 4 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 . 2 0 0 0 0 0 4 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 25 A A 0 0 131 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 137.3 16.1 0.2 -8.2 2 26 A E - 0 0 89 1,-0.1 4,-0.0 4,-0.0 10,-0.0 -0.983 360.0-155.6-125.5 128.3 15.2 2.1 -11.4 3 27 A E S S+ 0 0 51 -2,-0.4 -1,-0.1 1,-0.1 198,-0.1 0.818 86.1 25.3 -67.9 -31.5 15.3 5.9 -11.9 4 28 A F S S- 0 0 3 197,-0.0 2,-0.3 194,-0.0 -1,-0.1 -0.963 95.3 -93.6-134.5 151.1 12.6 5.8 -14.6 5 29 A P - 0 0 26 0, 0.0 960,-0.1 0, 0.0 -2,-0.0 -0.447 38.0-131.9 -67.8 124.7 9.8 3.3 -15.5 6 30 A V - 0 0 39 -2,-0.3 3,-0.1 1,-0.1 6,-0.1 -0.542 26.2-110.0 -75.5 137.7 10.7 0.6 -18.0 7 31 A P > - 0 0 17 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.365 47.7 -83.8 -63.6 149.1 8.3 0.1 -20.9 8 32 A N T 3 S+ 0 0 134 1,-0.3 3,-0.1 -2,-0.0 963,-0.0 -0.278 117.9 21.7 -53.1 132.8 6.3 -3.2 -20.8 9 33 A G T 3 S+ 0 0 67 1,-0.3 19,-0.4 -3,-0.1 2,-0.3 0.496 102.3 107.1 87.0 3.7 8.4 -5.9 -22.3 10 34 A F < - 0 0 27 -3,-2.0 2,-0.4 17,-0.1 -1,-0.3 -0.795 57.4-141.7-110.5 156.5 11.7 -4.2 -21.8 11 35 A E E -A 26 0A 105 15,-2.6 15,-2.2 -2,-0.3 2,-0.5 -0.949 5.9-141.0-119.0 141.5 14.5 -5.0 -19.4 12 36 A S E +A 25 0A 30 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.867 41.9 153.3 -92.5 128.8 16.7 -2.7 -17.4 13 37 A A E -A 24 0A 16 11,-2.6 11,-2.5 -2,-0.5 2,-0.3 -0.903 34.9-129.1-148.4 173.4 20.2 -4.2 -17.2 14 38 A Y E -A 23 0A 100 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.973 11.9-167.7-130.5 147.7 23.9 -3.4 -16.9 15 39 A R E -A 22 0A 105 7,-2.4 7,-2.8 -2,-0.3 2,-0.4 -0.989 20.3-133.5-137.3 127.8 27.0 -4.4 -18.9 16 40 A E E -A 21 0A 88 -2,-0.4 2,-0.4 5,-0.3 5,-0.3 -0.652 27.9-180.0 -76.6 124.5 30.6 -3.9 -17.9 17 41 A V E > -A 20 0A 7 3,-3.0 3,-1.7 -2,-0.4 68,-0.1 -0.977 69.2 -21.3-132.9 119.9 32.6 -2.4 -20.7 18 42 A D T 3 S- 0 0 82 -2,-0.4 56,-0.2 1,-0.3 -1,-0.1 0.879 130.1 -49.0 44.3 45.2 36.3 -1.6 -20.3 19 43 A G T 3 S+ 0 0 27 1,-0.2 2,-0.5 54,-0.1 -1,-0.3 0.558 118.2 113.5 80.0 8.9 35.8 -1.6 -16.5 20 44 A V E < -A 17 0A 0 -3,-1.7 -3,-3.0 51,-0.0 2,-0.8 -0.960 62.7-138.5-118.0 123.2 32.8 0.7 -16.7 21 45 A K E -A 16 0A 82 -2,-0.5 50,-2.7 -5,-0.3 2,-0.4 -0.712 23.2-164.7 -83.5 109.9 29.3 -0.5 -15.8 22 46 A L E -A 15 0A 0 -7,-2.8 -7,-2.4 -2,-0.8 2,-0.3 -0.810 9.0-143.3 -95.9 133.9 26.9 0.9 -18.3 23 47 A H E +A 14 0A 0 -2,-0.4 40,-2.4 40,-0.3 2,-0.3 -0.690 28.7 165.0 -90.3 146.0 23.1 0.9 -17.6 24 48 A Y E -AB 13 62A 17 -11,-2.5 -11,-2.6 -2,-0.3 2,-0.4 -0.985 32.7-136.3-152.3 163.0 20.8 0.2 -20.6 25 49 A V E -AB 12 61A 0 36,-1.5 36,-2.5 -2,-0.3 2,-0.3 -0.989 31.2-179.1-120.5 136.2 17.1 -0.7 -21.4 26 50 A K E +AB 11 60A 42 -15,-2.2 -15,-2.6 -2,-0.4 2,-0.3 -0.961 12.9 135.5-138.9 150.5 16.6 -3.3 -24.0 27 51 A G E + B 0 59A 8 32,-1.8 32,-4.0 -2,-0.3 -17,-0.1 -0.967 31.6 60.3-176.9 173.0 13.7 -5.0 -25.8 28 52 A G E - B 0 58A 31 -19,-0.4 2,-0.3 -2,-0.3 30,-0.3 -0.222 64.6 -97.7 87.8 179.5 12.4 -6.2 -29.1 29 53 A Q + 0 0 132 25,-0.9 268,-0.3 28,-0.6 -2,-0.0 -0.970 69.0 36.3-140.7 153.2 13.7 -8.6 -31.7 30 54 A G S S+ 0 0 34 -2,-0.3 28,-0.4 27,-0.2 27,-0.2 -0.631 95.7 10.8 106.1-164.6 15.7 -8.3 -35.0 31 55 A P S S- 0 0 53 0, 0.0 27,-2.2 0, 0.0 2,-0.3 -0.097 84.6-104.8 -49.4 146.0 18.4 -6.0 -36.2 32 56 A L E -c 58 0A 5 66,-0.3 68,-2.7 25,-0.2 2,-0.4 -0.566 33.5-175.2 -82.8 136.6 19.9 -3.8 -33.4 33 57 A V E -cd 59 100A 0 25,-2.5 27,-2.7 -2,-0.3 2,-0.5 -0.995 8.8-158.9-125.1 127.0 19.2 -0.1 -33.0 34 58 A M E -cd 60 101A 0 66,-2.4 68,-2.4 -2,-0.4 2,-0.5 -0.907 3.4-161.8-105.3 130.7 21.0 1.9 -30.3 35 59 A L E - d 0 102A 0 25,-2.5 2,-0.5 -2,-0.5 68,-0.2 -0.953 5.8-162.6-114.1 123.5 19.4 5.1 -29.1 36 60 A V E - d 0 103A 0 66,-3.0 68,-2.1 -2,-0.5 71,-0.2 -0.934 6.5-150.1-119.2 116.3 21.7 7.6 -27.3 37 61 A H - 0 0 0 25,-0.6 2,-0.2 -2,-0.5 6,-0.1 0.025 11.7-136.6 -74.4-179.8 20.3 10.4 -25.1 38 62 A G > - 0 0 1 4,-0.2 3,-1.6 1,-0.2 67,-0.1 -0.509 39.5 -38.4-127.1-165.5 21.8 13.8 -24.4 39 63 A F T 3 S+ 0 0 1 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 -0.286 119.6 21.3 -62.9 138.9 22.4 16.4 -21.7 40 64 A G T 3 S+ 0 0 3 1,-0.3 -1,-0.2 158,-0.1 2,-0.2 0.263 120.1 59.7 91.8 -9.2 19.7 16.9 -19.0 41 65 A Q < - 0 0 5 -3,-1.6 -1,-0.3 160,-0.1 2,-0.2 -0.583 62.2-143.6-139.1-168.9 18.2 13.4 -19.7 42 66 A T > - 0 0 2 -2,-0.2 3,-1.9 -3,-0.1 4,-0.3 -0.749 57.4 -61.7-146.7-171.6 18.7 9.7 -19.8 43 67 A W G > S+ 0 0 0 1,-0.3 3,-2.5 -2,-0.2 4,-0.2 0.817 119.0 81.3 -48.6 -29.8 17.6 6.6 -21.8 44 68 A Y G > S+ 0 0 18 1,-0.3 3,-2.3 2,-0.2 -1,-0.3 0.735 71.3 73.0 -56.8 -26.9 14.1 7.6 -20.7 45 69 A E G < S+ 0 0 2 -3,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.781 98.3 51.1 -58.4 -23.5 13.7 10.3 -23.4 46 70 A W G <> S+ 0 0 0 -3,-2.5 4,-2.5 -4,-0.3 3,-0.5 0.409 78.2 106.5 -89.6 1.2 13.4 7.4 -25.9 47 71 A H T <4 S+ 0 0 20 -3,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.730 79.8 45.2 -64.9 -26.0 10.7 5.6 -23.9 48 72 A Q T > S+ 0 0 27 -3,-0.4 4,-0.6 -4,-0.2 -1,-0.3 0.819 116.9 45.9 -82.3 -33.2 7.7 6.5 -26.2 49 73 A L H > S+ 0 0 2 -3,-0.5 4,-2.2 -4,-0.2 3,-0.2 0.829 100.4 70.1 -73.5 -33.8 9.7 5.7 -29.3 50 74 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.890 94.2 50.0 -59.3 -48.4 11.1 2.4 -28.0 51 75 A P H 4 S+ 0 0 48 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.893 112.8 49.6 -59.7 -37.5 7.9 0.2 -28.0 52 76 A E H >< S+ 0 0 34 -4,-0.6 3,-1.1 -3,-0.2 4,-0.2 0.948 114.0 43.6 -63.4 -49.7 7.2 1.2 -31.5 53 77 A L H >X S+ 0 0 1 -4,-2.2 4,-2.3 1,-0.2 3,-2.1 0.851 102.6 67.5 -63.7 -35.7 10.7 0.4 -32.8 54 78 A A T 3< S+ 0 0 15 -4,-2.7 -25,-0.9 1,-0.3 -1,-0.2 0.619 85.4 71.1 -65.2 -12.1 10.8 -2.9 -30.8 55 79 A K T <4 S+ 0 0 118 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.721 119.6 16.2 -73.0 -19.4 8.1 -4.3 -33.1 56 80 A R T <4 S+ 0 0 89 -3,-2.1 241,-3.1 -4,-0.2 2,-0.3 0.516 128.9 39.7-126.7 -18.9 10.8 -4.4 -35.9 57 81 A F S < S- 0 0 1 -4,-2.3 2,-0.6 -27,-0.2 -28,-0.6 -0.908 76.5-110.6-133.4 157.3 14.1 -4.1 -34.1 58 82 A T E -Bc 28 32A 23 -27,-2.2 -25,-2.5 -28,-0.4 2,-0.5 -0.832 47.9-153.7 -76.7 122.5 16.0 -5.1 -31.1 59 83 A V E -Bc 27 33A 0 -32,-4.0 -32,-1.8 -2,-0.6 2,-0.4 -0.892 18.9-179.0-109.8 130.4 16.2 -1.8 -29.2 60 84 A I E -Bc 26 34A 0 -27,-2.7 -25,-2.5 -2,-0.5 -34,-0.2 -0.991 5.0-176.5-126.4 135.5 18.9 -0.7 -26.8 61 85 A A E -B 25 0A 0 -36,-2.5 -36,-1.5 -2,-0.4 2,-0.2 -0.899 13.0-168.5-129.9 98.9 19.0 2.6 -24.9 62 86 A P E -B 24 0A 1 0, 0.0 -25,-0.6 0, 0.0 2,-0.4 -0.527 23.6-120.3 -86.5 156.6 22.1 3.1 -22.7 63 87 A D - 0 0 0 -40,-2.4 -40,-0.3 -2,-0.2 3,-0.1 -0.801 39.8-109.2 -84.5 133.4 22.7 5.8 -20.1 64 88 A L > - 0 0 1 -2,-0.4 3,-2.7 1,-0.2 6,-0.4 -0.315 52.3 -77.0 -58.7 144.9 25.8 7.9 -21.1 65 89 A P T 3 S+ 0 0 0 0, 0.0 6,-0.2 0, 0.0 -1,-0.2 -0.217 120.8 9.8 -49.0 126.3 28.8 7.2 -18.8 66 90 A G T 3 S+ 0 0 0 5,-0.8 144,-0.2 4,-0.8 2,-0.2 0.133 114.5 92.4 92.2 -19.3 28.2 9.0 -15.5 67 91 A L S X S- 0 0 5 -3,-2.7 3,-2.4 4,-0.2 -1,-0.3 -0.648 88.9 -5.2-105.0 163.3 24.6 9.9 -16.3 68 92 A G T 3 S- 0 0 1 1,-0.3 136,-0.1 -2,-0.2 -26,-0.0 -0.320 131.7 -30.7 55.3-132.2 21.5 8.0 -15.5 69 93 A Q T 3 S+ 0 0 28 2,-0.1 2,-0.4 138,-0.0 -1,-0.3 0.148 110.7 112.4-102.6 17.4 22.5 4.7 -13.9 70 94 A S < - 0 0 1 -3,-2.4 -4,-0.8 -6,-0.4 -48,-0.2 -0.747 68.9-117.9 -92.5 137.0 25.8 4.4 -15.8 71 95 A E - 0 0 78 -50,-2.7 -5,-0.8 -2,-0.4 -4,-0.2 -0.299 40.3 -92.6 -62.0 153.9 29.2 4.7 -14.0 72 96 A P - 0 0 50 0, 0.0 -6,-0.2 0, 0.0 -51,-0.1 -0.241 50.8 -92.5 -61.1 156.6 31.5 7.5 -15.1 73 97 A P - 0 0 16 0, 0.0 4,-0.1 0, 0.0 9,-0.1 -0.403 23.5-150.1 -74.4 151.7 34.1 6.8 -17.8 74 98 A K S S+ 0 0 157 -56,-0.2 3,-0.1 2,-0.1 -55,-0.1 0.760 93.3 40.6 -89.9 -30.6 37.5 5.6 -16.7 75 99 A T S S- 0 0 90 1,-0.3 2,-0.3 6,-0.1 7,-0.1 0.972 117.6 -76.6 -79.1 -69.9 39.4 7.1 -19.7 76 100 A G - 0 0 13 2,-0.1 -1,-0.3 3,-0.0 -2,-0.1 -0.981 29.7 -95.5-178.6-175.8 37.8 10.5 -20.3 77 101 A Y S S+ 0 0 32 -2,-0.3 140,-0.2 136,-0.1 144,-0.1 0.310 72.0 118.4-107.3 7.6 34.8 12.5 -21.6 78 102 A S S > S- 0 0 0 1,-0.1 4,-2.5 138,-0.1 5,-0.3 -0.375 78.3-106.1 -71.7 158.4 36.0 13.4 -25.0 79 103 A G H > S+ 0 0 1 138,-0.3 4,-2.6 1,-0.2 5,-0.2 0.897 119.0 48.5 -48.0 -48.6 33.9 12.2 -28.0 80 104 A E H > S+ 0 0 52 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.866 112.0 47.9 -66.4 -39.0 36.5 9.6 -29.0 81 105 A Q H >> S+ 0 0 57 -3,-0.3 4,-0.7 1,-0.2 3,-0.5 0.928 115.9 43.0 -67.6 -46.3 37.0 8.2 -25.5 82 106 A V H >X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 3,-0.7 0.883 104.1 64.5 -68.7 -37.7 33.3 7.9 -24.8 83 107 A A H 3X S+ 0 0 2 -4,-2.6 4,-3.0 -5,-0.3 5,-0.2 0.802 93.4 64.6 -57.2 -28.5 32.4 6.5 -28.2 84 108 A V H X S+ 0 0 0 -4,-2.3 4,-1.0 -5,-0.2 3,-0.8 0.970 111.2 47.0 -58.5 -52.7 28.4 -2.1 -25.9 90 114 A A H >X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.3 3,-1.0 0.925 110.3 52.9 -56.3 -47.0 26.5 -2.1 -29.2 91 115 A R H 3< S+ 0 0 68 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.746 96.7 67.3 -66.1 -23.0 28.8 -4.8 -30.6 92 116 A Q H << S+ 0 0 82 -4,-1.4 -1,-0.3 -3,-0.8 -2,-0.2 0.898 113.4 31.9 -55.6 -41.3 28.2 -7.0 -27.6 93 117 A F H << S+ 0 0 62 -4,-1.0 -2,-0.2 -3,-1.0 -1,-0.2 0.613 131.8 34.0 -95.9 -17.2 24.6 -7.4 -28.8 94 118 A S < + 0 0 14 -4,-1.5 3,-0.4 -5,-0.2 -1,-0.2 -0.465 67.8 148.5-135.4 65.4 25.4 -7.2 -32.6 95 119 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.751 77.0 35.3 -71.3 -24.5 28.8 -8.8 -33.1 96 120 A D S S+ 0 0 135 -3,-0.1 -5,-0.0 2,-0.1 -2,-0.0 0.357 115.3 48.7-115.7 1.3 28.2 -10.1 -36.6 97 121 A R S S- 0 0 178 -3,-0.4 26,-0.1 -6,-0.1 -1,-0.1 -0.988 82.5-103.7-143.3 149.1 26.0 -7.5 -38.2 98 122 A P - 0 0 65 0, 0.0 -66,-0.3 0, 0.0 2,-0.3 -0.341 39.3-149.3 -66.2 157.7 26.0 -3.7 -38.6 99 123 A F E - e 0 122A 2 22,-3.4 24,-2.6 -68,-0.1 25,-0.4 -0.827 10.9-111.6-124.5 165.7 23.5 -1.8 -36.3 100 124 A D E -d 33 0A 9 -68,-2.7 -66,-2.4 -2,-0.3 2,-0.4 -0.639 27.1-152.5 -93.5 156.9 21.5 1.4 -36.6 101 125 A L E -de 34 125A 0 23,-2.1 25,-2.7 -2,-0.2 2,-0.4 -0.995 15.1-179.2-136.0 133.4 22.2 4.5 -34.5 102 126 A V E +de 35 126A 0 -68,-2.4 -66,-3.0 -2,-0.4 2,-0.4 -1.000 15.8 177.4-127.4 126.9 19.9 7.4 -33.2 103 127 A A E -de 36 127A 0 23,-2.6 25,-2.2 -2,-0.4 2,-0.4 -0.991 13.9-162.9-136.8 144.4 21.5 10.2 -31.2 104 128 A H E > - e 0 128A 0 -68,-2.1 3,-2.4 -2,-0.4 25,-0.2 -0.962 59.1 -36.7-124.1 133.5 20.3 13.4 -29.6 105 129 A D T >> S+ 0 0 12 23,-2.3 3,-1.9 -2,-0.4 4,-0.7 -0.223 134.9 5.8 60.1-128.8 22.3 16.4 -28.4 106 130 A I H 3> S+ 0 0 0 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.625 117.4 78.3 -71.3 -9.0 25.6 15.2 -26.8 107 131 A G H <4 S+ 0 0 0 -3,-2.4 -1,-0.3 -71,-0.2 4,-0.3 0.845 92.6 54.6 -57.0 -34.0 24.8 11.6 -27.8 108 132 A I H X> S+ 0 0 0 -3,-1.9 4,-2.6 2,-0.2 3,-1.6 0.950 106.2 48.6 -61.2 -53.4 26.0 12.9 -31.2 109 133 A W H 3< S+ 0 0 5 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.2 0.894 112.5 50.1 -51.9 -43.5 29.3 14.0 -29.7 110 134 A N T 3< S+ 0 0 1 -4,-2.2 -1,-0.3 1,-0.2 -24,-0.2 0.423 119.1 34.5 -84.3 2.9 29.7 10.7 -28.0 111 135 A T T X> S+ 0 0 0 -3,-1.6 4,-2.2 -4,-0.3 3,-0.8 0.655 91.3 82.7-124.6 -29.8 29.0 8.6 -31.2 112 136 A Y H 3X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.888 91.9 52.7 -48.9 -47.4 30.4 10.4 -34.2 113 137 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.857 110.6 45.8 -62.8 -34.2 34.0 9.1 -33.7 114 138 A M H <> S+ 0 0 4 -3,-0.8 4,-1.2 2,-0.2 -2,-0.2 0.849 113.2 52.0 -75.6 -29.0 32.9 5.4 -33.5 115 139 A V H < S+ 0 0 0 -4,-2.2 3,-0.4 2,-0.2 7,-0.2 0.950 113.5 41.9 -66.4 -49.4 30.7 5.9 -36.5 116 140 A V H < S+ 0 0 10 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.832 118.8 46.4 -70.8 -28.9 33.5 7.4 -38.6 117 141 A K H < S+ 0 0 99 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.625 123.9 31.7 -87.9 -13.8 36.0 4.9 -37.4 118 142 A N >< + 0 0 49 -4,-1.2 3,-2.4 -3,-0.4 4,-0.5 -0.300 68.4 156.6-135.9 52.0 33.8 1.8 -37.8 119 143 A Q G > S+ 0 0 43 -3,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.806 72.4 59.3 -54.2 -33.5 31.6 2.7 -40.8 120 144 A A G 3 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.1 -5,-0.1 0.735 99.2 59.1 -67.4 -21.6 30.9 -0.9 -41.6 121 145 A D G < S+ 0 0 24 -3,-2.4 -22,-3.4 -6,-0.2 2,-0.6 0.597 95.1 74.1 -80.6 -12.2 29.4 -1.4 -38.2 122 146 A I E < +e 99 0A 4 -3,-1.2 -22,-0.2 -4,-0.5 3,-0.1 -0.892 51.7 178.1-113.2 110.2 26.7 1.3 -38.8 123 147 A A E S- 0 0 37 -24,-2.6 2,-0.3 -2,-0.6 -23,-0.2 0.970 72.4 -6.2 -73.9 -54.1 23.8 0.5 -41.2 124 148 A R E - 0 0 31 -25,-0.4 -23,-2.1 111,-0.1 2,-0.4 -0.970 66.1-149.6-144.9 156.0 21.9 3.7 -40.9 125 149 A L E -ef 101 237A 0 111,-2.0 113,-2.4 -2,-0.3 2,-0.4 -0.983 9.4-171.8-137.9 135.5 22.2 6.8 -38.8 126 150 A V E -ef 102 238A 0 -25,-2.7 -23,-2.6 -2,-0.4 2,-0.4 -0.981 10.9-177.2-128.5 118.8 19.9 9.5 -37.3 127 151 A Y E -ef 103 239A 1 111,-2.5 113,-2.2 -2,-0.4 2,-0.4 -0.946 5.5-178.4-114.4 137.4 21.3 12.6 -35.6 128 152 A M E -ef 104 240A 0 -25,-2.2 -23,-2.3 -2,-0.4 113,-0.2 -0.989 47.0 -4.6-141.3 135.4 19.2 15.3 -34.0 129 153 A Q S S+ 0 0 2 111,-1.5 -1,-0.1 -2,-0.4 112,-0.1 0.906 97.2 67.4 61.3 56.6 19.6 18.6 -32.2 130 154 A A S S- 0 0 5 -26,-0.1 2,-0.1 -3,-0.1 -1,-0.0 -0.663 75.1-105.9 175.8 147.8 23.3 19.5 -31.7 131 155 A P - 0 0 2 0, 0.0 -22,-0.1 0, 0.0 121,-0.1 -0.488 36.9-113.0 -72.3 144.7 26.3 20.4 -33.8 132 156 A I - 0 0 1 -2,-0.1 2,-0.6 120,-0.1 5,-0.2 -0.587 52.6 -93.2 -61.0 135.9 29.0 17.8 -34.3 133 157 A P S S+ 0 0 0 0, 0.0 2,-0.3 0, 0.0 92,-0.1 -0.481 80.7 116.6 -65.8 114.9 31.9 19.3 -32.4 134 158 A D S > S- 0 0 13 -2,-0.6 3,-1.9 91,-0.1 4,-0.3 -0.890 82.5 -65.7-155.3-173.0 33.9 21.2 -35.0 135 159 A A G > S+ 0 0 67 1,-0.3 3,-1.4 -2,-0.3 4,-0.1 0.685 117.9 75.6 -56.7 -21.6 35.0 24.8 -35.7 136 160 A R G > S+ 0 0 96 1,-0.3 3,-2.1 2,-0.2 4,-0.3 0.825 81.5 67.9 -62.0 -31.1 31.4 25.8 -36.4 137 161 A I G X S+ 0 0 0 -3,-1.9 3,-0.6 1,-0.3 -1,-0.3 0.703 91.4 61.9 -64.7 -18.2 30.6 25.8 -32.6 138 162 A Y G < S+ 0 0 45 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.446 96.4 61.7 -84.2 -1.4 32.9 28.9 -32.3 139 163 A R G < S+ 0 0 193 -3,-2.1 -1,-0.2 -4,-0.1 -2,-0.2 0.475 75.1 107.4-103.0 -6.2 30.6 30.8 -34.6 140 164 A F S < S- 0 0 27 -3,-0.6 300,-3.1 -4,-0.3 301,-0.4 -0.529 75.8-110.4 -70.3 141.8 27.4 30.6 -32.4 141 165 A P B -H 439 0B 43 0, 0.0 10,-0.4 0, 0.0 3,-0.1 -0.408 7.9-143.5 -76.1 148.3 26.6 34.0 -30.8 142 166 A A S S+ 0 0 0 296,-2.8 311,-0.4 1,-0.2 2,-0.3 0.708 89.0 14.7 -75.5 -22.7 26.8 34.6 -27.0 143 167 A F S S- 0 0 11 295,-0.5 2,-0.3 292,-0.2 -1,-0.2 -0.991 72.8-149.8-157.1 141.2 23.7 36.8 -27.1 144 168 A T - 0 0 30 -2,-0.3 5,-0.1 3,-0.2 3,-0.1 -0.836 21.2-131.7-124.3 159.4 20.9 37.4 -29.6 145 169 A A S S+ 0 0 49 -2,-0.3 2,-0.4 1,-0.2 728,-0.2 0.838 97.6 25.2 -72.2 -34.0 18.6 40.2 -30.6 146 170 A Q S S- 0 0 76 725,-0.1 -1,-0.2 726,-0.1 2,-0.2 -0.997 122.6 -7.5-140.9 130.0 15.5 38.1 -30.4 147 171 A G S S- 0 0 13 -2,-0.4 2,-0.4 723,-0.4 -3,-0.2 -0.539 99.5 -54.5 78.8-153.5 14.9 34.9 -28.4 148 172 A E - 0 0 30 -2,-0.2 98,-0.2 34,-0.1 2,-0.1 -0.949 50.6 -94.7-130.8 146.5 17.8 33.4 -26.6 149 173 A S - 0 0 2 -2,-0.4 3,-0.4 -7,-0.2 4,-0.2 -0.368 33.9-148.6 -53.8 122.5 21.4 32.3 -27.4 150 174 A L S S+ 0 0 46 1,-0.2 3,-0.2 -2,-0.1 -1,-0.1 0.859 85.0 24.2 -63.8 -41.7 21.1 28.6 -28.0 151 175 A V S > S+ 0 0 7 -10,-0.4 3,-1.8 1,-0.2 4,-0.4 0.072 72.6 116.6-126.7 28.7 24.6 27.5 -26.8 152 176 A W T >> S+ 0 0 10 -3,-0.4 4,-1.6 1,-0.3 3,-1.0 0.788 72.4 74.9 -61.0 -23.8 25.9 30.0 -24.3 153 177 A H H 3> S+ 0 0 9 1,-0.2 4,-3.1 -3,-0.2 5,-0.3 0.753 77.6 74.4 -61.9 -21.4 25.7 27.1 -21.9 154 178 A F H <> S+ 0 0 5 -3,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.938 103.2 38.4 -53.9 -47.7 28.8 25.7 -23.6 155 179 A S H <> S+ 0 0 0 -3,-1.0 4,-1.5 285,-0.5 291,-0.2 0.918 115.6 52.6 -71.1 -44.5 30.9 28.3 -21.8 156 180 A F H < S+ 0 0 0 -4,-1.6 8,-0.5 1,-0.2 3,-0.5 0.953 115.7 40.1 -51.7 -54.3 29.0 28.1 -18.6 157 181 A F H < S+ 0 0 0 -4,-3.1 59,-0.3 1,-0.2 -1,-0.2 0.783 117.8 47.6 -70.9 -30.7 29.4 24.3 -18.4 158 182 A A H < S+ 0 0 12 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.610 85.6 120.0 -86.3 -13.2 33.0 24.3 -19.6 159 183 A A < - 0 0 1 -4,-1.5 4,-0.5 -3,-0.5 5,-0.3 -0.146 63.7-111.5 -58.6 149.1 34.2 27.1 -17.2 160 184 A D S > S+ 0 0 126 1,-0.2 3,-1.5 2,-0.2 4,-0.1 0.042 91.7 49.8 -66.5 178.1 37.0 26.4 -14.7 161 185 A D T 3 S- 0 0 101 1,-0.3 -1,-0.2 2,-0.1 5,-0.1 0.720 122.5 -81.3 65.9 19.7 36.7 26.2 -10.9 162 186 A R T 3> S+ 0 0 131 -3,-0.3 4,-2.3 -4,-0.1 -1,-0.3 0.903 76.3 168.6 48.5 42.9 33.8 23.8 -11.3 163 187 A L H <> + 0 0 0 -3,-1.5 4,-2.1 -4,-0.5 5,-0.2 0.939 66.8 44.3 -51.8 -54.2 31.7 27.0 -11.8 164 188 A A H > S+ 0 0 0 -8,-0.5 4,-2.3 -5,-0.3 5,-0.2 0.914 115.1 44.8 -63.0 -46.9 28.6 25.2 -13.0 165 189 A E H > S+ 0 0 7 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 112.8 53.3 -64.9 -36.0 28.4 22.4 -10.4 166 190 A T H < S+ 0 0 31 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.908 115.1 38.8 -68.7 -40.3 29.2 24.8 -7.6 167 191 A L H < S+ 0 0 0 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.845 121.1 44.4 -76.6 -32.0 26.3 27.1 -8.6 168 192 A I H >< S+ 0 0 0 -4,-2.3 3,-2.9 -5,-0.2 7,-0.2 0.747 81.0 110.1 -91.3 -24.5 23.9 24.4 -9.5 169 193 A A T 3< S+ 0 0 48 -4,-2.3 34,-0.0 1,-0.3 -4,-0.0 -0.239 92.2 14.2 -50.1 133.9 24.4 22.0 -6.5 170 194 A G T 3 S+ 0 0 70 33,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.312 124.0 66.3 79.1 -9.9 21.2 22.1 -4.4 171 195 A K <> + 0 0 45 -3,-2.9 4,-2.8 1,-0.1 5,-0.2 0.043 59.1 121.8-126.9 23.6 19.4 23.9 -7.2 172 196 A E H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.838 74.9 49.6 -59.1 -38.1 19.3 21.1 -9.7 173 197 A R H > S+ 0 0 59 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 113.0 46.1 -72.1 -44.1 15.5 20.9 -10.0 174 198 A F H > S+ 0 0 58 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.940 115.7 46.7 -57.8 -49.3 15.2 24.7 -10.5 175 199 A F H X S+ 0 0 4 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.929 109.9 51.1 -67.7 -45.1 18.0 24.8 -13.1 176 200 A L H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.911 108.7 51.2 -60.2 -43.4 16.9 21.8 -15.1 177 201 A E H X S+ 0 0 41 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.934 113.5 46.2 -59.0 -43.4 13.3 23.1 -15.5 178 202 A H H X S+ 0 0 6 -4,-1.9 4,-2.8 -5,-0.2 -2,-0.2 0.950 114.1 46.8 -61.5 -49.5 14.8 26.4 -16.7 179 203 A F H X S+ 0 0 9 -4,-2.9 4,-0.8 2,-0.2 -2,-0.2 0.921 116.6 44.0 -60.4 -46.8 17.2 24.8 -19.1 180 204 A I H >< S+ 0 0 0 -4,-2.9 3,-1.1 -5,-0.2 93,-0.2 0.975 117.6 42.6 -64.6 -54.4 14.7 22.5 -20.6 181 205 A K H >< S+ 0 0 27 -4,-2.5 3,-1.8 -5,-0.3 -2,-0.2 0.881 109.9 56.4 -65.3 -36.0 11.8 25.0 -21.0 182 206 A S H 3< S+ 0 0 9 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.716 111.5 45.8 -67.4 -18.8 14.1 27.8 -22.3 183 207 A H T << S+ 0 0 13 -3,-1.1 90,-2.5 -4,-0.8 91,-0.3 0.161 102.7 91.5-104.4 18.7 15.1 25.3 -25.0 184 208 A A < - 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0 0 4 -7,-0.5 3,-0.5 -295,-0.1 4,-0.2 -0.347 20.2-105.3 -88.0 170.6 34.1 33.4 -24.0 448 174 B L S S+ 0 0 54 1,-0.2 3,-0.2 2,-0.1 -8,-0.1 0.859 109.7 22.9 -61.8 -43.7 34.2 37.1 -23.0 449 175 B V S > S+ 0 0 7 -10,-0.4 3,-1.7 1,-0.1 4,-0.4 0.071 74.1 116.5-125.2 27.0 30.5 37.8 -23.0 450 176 B W T >> S+ 0 0 6 -3,-0.5 4,-1.5 1,-0.3 3,-0.9 0.763 72.3 75.0 -60.6 -19.5 28.6 34.6 -22.5 451 177 B H H 3> S+ 0 0 10 1,-0.2 4,-2.9 -3,-0.2 5,-0.3 0.737 77.1 72.8 -67.1 -21.3 27.5 36.3 -19.3 452 178 B F H <> S+ 0 0 5 -3,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.929 104.7 39.3 -53.7 -45.0 25.2 38.6 -21.3 453 179 B S H <> S+ 0 0 4 -3,-0.9 4,-1.2 -4,-0.4 -2,-0.2 0.880 114.5 51.8 -75.9 -39.7 22.9 35.6 -21.7 454 180 B F H < S+ 0 0 0 -4,-1.5 8,-0.4 1,-0.2 3,-0.3 0.955 116.8 40.2 -58.8 -50.2 23.3 34.2 -18.2 455 181 B F H < S+ 0 0 0 -4,-2.9 59,-0.3 1,-0.2 -2,-0.2 0.785 114.5 51.8 -71.8 -32.0 22.4 37.6 -16.7 456 182 B A H < S+ 0 0 20 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.685 85.4 114.1 -77.7 -17.6 19.6 38.4 -19.2 457 183 B A < - 0 0 2 -4,-1.2 5,-0.4 -3,-0.3 4,-0.3 -0.178 62.6-130.1 -57.9 145.8 17.9 35.0 -18.6 458 184 B D S > S+ 0 0 2 1,-0.2 3,-1.7 2,-0.2 325,-0.1 0.052 82.2 67.0 -82.5-164.8 14.5 35.0 -16.9 459 185 B D T 3 S- 0 0 37 323,-0.4 -1,-0.2 1,-0.3 5,-0.1 0.720 122.0 -84.3 62.1 19.6 13.2 33.0 -13.9 460 186 B R T 3> S+ 0 0 90 -3,-0.2 4,-2.7 -4,-0.1 -1,-0.3 0.898 77.3 167.6 46.2 41.9 15.8 35.0 -11.9 461 187 B L H <> + 0 0 0 -3,-1.7 4,-2.5 -4,-0.3 5,-0.2 0.919 68.0 43.2 -51.9 -51.4 18.2 32.4 -13.2 462 188 B A H > S+ 0 0 0 -8,-0.4 4,-2.3 -5,-0.4 5,-0.3 0.949 115.5 46.1 -66.1 -49.4 21.3 34.4 -12.1 463 189 B E H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.905 114.6 50.3 -56.1 -41.2 20.1 35.5 -8.7 464 190 B T H < S+ 0 0 48 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.929 115.6 39.5 -71.0 -42.1 18.9 32.0 -8.0 465 191 B L H < S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.801 120.4 45.2 -72.7 -28.7 22.1 30.2 -8.9 466 192 B I H >< S+ 0 0 0 -4,-2.3 3,-2.7 -5,-0.2 7,-0.2 0.759 82.1 106.9 -94.2 -25.0 24.4 32.8 -7.3 467 193 B A T 3< S+ 0 0 46 -4,-2.2 34,-0.0 -5,-0.3 -4,-0.0 -0.312 91.7 17.1 -55.4 129.6 22.7 33.4 -4.0 468 194 B G T 3 S+ 0 0 62 33,-0.1 -1,-0.3 -2,-0.0 4,-0.1 0.283 126.0 61.4 88.6 -10.1 24.7 31.8 -1.2 469 195 B K <> + 0 0 84 -3,-2.7 4,-2.7 2,-0.1 5,-0.2 -0.069 63.2 125.3-134.4 29.7 27.6 31.7 -3.6 470 196 B E H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.907 76.5 43.9 -63.9 -46.5 28.1 35.4 -4.2 471 197 B R H > S+ 0 0 60 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.941 114.3 51.3 -63.5 -47.9 31.7 35.6 -3.3 472 198 B F H > S+ 0 0 57 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.919 113.6 43.7 -54.5 -47.9 32.5 32.4 -5.2 473 199 B F H X S+ 0 0 2 -4,-2.7 4,-2.9 -7,-0.2 5,-0.2 0.954 114.2 48.6 -67.2 -48.0 30.9 33.7 -8.4 474 200 B L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.912 109.7 52.7 -59.3 -42.8 32.3 37.2 -8.2 475 201 B E H X S+ 0 0 52 -4,-2.8 4,-2.3 -5,-0.2 -1,-0.2 0.915 113.0 44.4 -59.6 -42.2 35.8 35.9 -7.6 476 202 B H H X S+ 0 0 8 -4,-1.8 4,-2.5 -5,-0.2 -2,-0.2 0.899 113.3 50.3 -69.9 -40.2 35.5 33.6 -10.7 477 203 B F H X S+ 0 0 8 -4,-2.9 4,-0.6 2,-0.2 -2,-0.2 0.899 113.1 46.5 -62.1 -43.2 34.0 36.4 -12.8 478 204 B I H >< S+ 0 0 0 -4,-2.9 3,-1.2 -5,-0.2 93,-0.2 0.971 116.1 43.4 -63.8 -51.8 36.7 38.8 -11.9 479 205 B K H >< S+ 0 0 66 -4,-2.3 3,-1.4 1,-0.3 -2,-0.2 0.860 108.5 57.5 -68.5 -33.8 39.6 36.4 -12.4 480 206 B S H 3< S+ 0 0 21 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.665 113.6 41.2 -69.6 -14.3 38.1 35.0 -15.7 481 207 B H T << S+ 0 0 7 -3,-1.2 90,-2.7 -4,-0.6 91,-0.4 0.161 104.5 89.3-115.8 17.8 38.2 38.6 -17.1 482 208 B A < - 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