==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-07 3B40 . COMPND 2 MOLECULE: PROBABLE DIPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR J.B.BONANNO,Y.PATSKOVSKY,M.DICKEY,K.T.BAIN,M.MENDOZA,R.FONG, . 400 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15926.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 2.0 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 21 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 142 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.8 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 2 1 2 1 2 0 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 5 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 38 A Y 0 0 108 0, 0.0 370,-0.0 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 142.4 57.4 88.6 33.2 2 39 A P > - 0 0 68 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.280 360.0-116.9 -52.7 153.1 59.3 90.6 30.5 3 40 A R H > S+ 0 0 207 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.849 115.0 62.0 -63.5 -34.2 57.0 93.1 28.7 4 41 A K H > S+ 0 0 158 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.888 108.1 42.3 -57.6 -41.5 57.6 91.2 25.5 5 42 A V H > S+ 0 0 11 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.929 114.6 49.8 -71.1 -46.5 56.0 88.1 27.0 6 43 A M H X S+ 0 0 76 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.875 112.4 48.9 -57.3 -43.5 53.1 90.0 28.7 7 44 A Q H X S+ 0 0 98 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.894 110.1 50.5 -64.3 -44.4 52.4 91.8 25.4 8 45 A H H X S+ 0 0 72 -4,-1.7 4,-2.0 -5,-0.3 -2,-0.2 0.921 110.3 50.1 -58.4 -43.8 52.4 88.5 23.6 9 46 A A H X S+ 0 0 2 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.932 112.8 47.0 -61.2 -46.2 50.0 87.1 26.2 10 47 A E H X S+ 0 0 59 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.941 110.2 51.7 -64.2 -44.8 47.7 90.1 25.7 11 48 A E H >< S+ 0 0 80 -4,-2.9 3,-0.6 1,-0.2 4,-0.3 0.896 110.4 49.6 -57.3 -40.3 47.8 90.0 21.9 12 49 A L H >X S+ 0 0 15 -4,-2.0 4,-2.5 1,-0.2 3,-1.8 0.920 107.9 52.5 -68.1 -41.3 46.8 86.3 22.0 13 50 A H H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.555 96.6 67.3 -76.5 -7.0 43.9 86.9 24.4 14 51 A E T << S+ 0 0 90 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.625 118.8 24.5 -68.3 -20.4 42.5 89.5 22.0 15 52 A R T <4 S+ 0 0 173 -3,-1.8 -2,-0.2 -4,-0.3 2,-0.2 0.709 108.0 73.2-119.1 -36.5 42.0 86.6 19.7 16 53 A I S < S- 0 0 26 -4,-2.5 2,-0.3 1,-0.0 39,-0.0 -0.545 71.4-117.6 -94.9 156.8 41.6 83.2 21.6 17 54 A L - 0 0 50 -2,-0.2 2,-0.4 366,-0.1 371,-0.2 -0.692 26.6-161.3 -83.2 146.5 38.8 81.8 23.6 18 55 A S - 0 0 0 -2,-0.3 38,-1.1 35,-0.2 37,-0.7 -0.970 8.1-176.3-132.5 142.1 39.5 81.0 27.3 19 56 A F E -a 56 0A 0 367,-1.4 2,-0.5 -2,-0.4 327,-0.3 -0.997 15.4-157.7-146.5 131.7 37.4 78.7 29.5 20 57 A D E -a 57 0A 0 36,-1.3 38,-2.5 -2,-0.4 327,-0.2 -0.964 7.4-159.0-115.6 113.3 37.7 77.8 33.1 21 58 A S E S+ 0 0 2 325,-1.1 2,-0.2 -2,-0.5 326,-0.1 0.382 75.7 45.0 -78.1 4.2 36.0 74.5 33.9 22 59 A R E + 0 0 7 324,-0.1 327,-2.0 2,-0.0 328,-0.9 -0.639 56.0 138.4-158.2 95.2 35.5 75.2 37.6 23 60 A I E -ab 59 350A 0 35,-1.7 37,-0.8 326,-0.2 2,-0.3 -0.998 42.0-131.1-129.3 134.0 34.3 78.3 39.4 24 61 A T - 0 0 15 326,-2.4 20,-0.1 -2,-0.4 37,-0.1 -0.641 11.4-132.8 -85.2 142.2 31.9 78.1 42.3 25 62 A V - 0 0 4 35,-0.4 2,-0.1 -2,-0.3 37,-0.1 -0.883 22.7-135.2 -91.0 114.8 28.8 80.2 42.5 26 63 A P > - 0 0 28 0, 0.0 3,-2.2 0, 0.0 326,-0.0 -0.461 18.2-122.6 -65.6 138.8 28.6 81.9 46.0 27 64 A L T 3 S+ 0 0 81 1,-0.3 64,-0.0 -2,-0.1 -2,-0.0 0.721 112.3 46.2 -60.7 -20.2 25.0 81.6 47.4 28 65 A D T > S+ 0 0 85 3,-0.1 3,-1.8 5,-0.0 -1,-0.3 0.165 80.0 138.7-104.6 16.6 24.8 85.4 47.7 29 66 A F T < + 0 0 10 -3,-2.2 6,-0.2 1,-0.3 3,-0.1 -0.443 69.9 26.1 -67.3 132.7 26.2 86.2 44.3 30 67 A G T 3 S+ 0 0 45 4,-3.4 -1,-0.3 1,-0.4 5,-0.3 0.488 100.2 113.3 90.7 5.2 24.3 89.0 42.7 31 68 A T B X S-J 34 0B 65 -3,-1.8 3,-2.5 3,-0.6 -1,-0.4 -0.525 83.4 -66.5-101.8 171.5 23.2 90.5 46.0 32 69 A T T 3 S+ 0 0 136 1,-0.3 -1,-0.1 -2,-0.2 0, 0.0 -0.397 128.5 22.3 -58.3 128.0 24.2 93.9 47.6 33 70 A G T 3 S+ 0 0 50 -2,-0.1 -1,-0.3 -3,-0.1 -4,-0.1 0.103 128.1 53.0 97.5 -18.7 27.9 93.7 48.4 34 71 A N B < S+J 31 0B 12 -3,-2.5 -4,-3.4 -6,-0.2 -3,-0.6 -0.278 71.7 165.0-145.8 51.1 28.4 90.9 45.8 35 72 A E > - 0 0 46 -5,-0.3 3,-0.9 -6,-0.2 5,-0.3 -0.399 38.2-134.8 -75.6 149.5 27.0 92.1 42.4 36 73 A V T 3 S+ 0 0 6 1,-0.2 10,-3.6 9,-0.1 11,-0.3 0.775 102.6 50.4 -75.9 -25.5 27.8 90.3 39.2 37 74 A D T 3 S+ 0 0 64 8,-0.2 2,-0.3 9,-0.2 -1,-0.2 0.117 100.6 79.1-102.3 21.2 28.5 93.5 37.2 38 75 A K S < S- 0 0 116 -3,-0.9 2,-2.0 9,-0.0 9,-0.3 -0.892 91.9-103.1-126.6 159.0 30.9 95.1 39.7 39 76 A D + 0 0 98 -2,-0.3 -3,-0.1 8,-0.1 -2,-0.1 -0.567 68.9 172.0 -76.5 79.0 34.6 94.7 40.7 40 77 A G - 0 0 20 -2,-2.0 -6,-0.1 -5,-0.3 5,-0.1 0.134 48.2 -88.1 -90.2-166.5 33.5 92.7 43.8 41 78 A P S S+ 0 0 102 0, 0.0 -7,-0.1 0, 0.0 2,-0.1 0.508 96.8 79.6 -81.3 -8.4 34.9 90.7 46.7 42 79 A G S S- 0 0 17 2,-0.2 3,-0.1 1,-0.1 308,-0.0 -0.239 89.1-109.5 -94.8-174.8 34.8 87.3 44.9 43 80 A Q S S+ 0 0 42 1,-0.2 319,-2.0 318,-0.1 2,-0.4 0.496 99.7 49.6 -95.7 -3.9 37.1 85.7 42.3 44 81 A L + 0 0 7 317,-0.2 2,-0.3 318,-0.1 -1,-0.2 -0.982 58.4 129.9-137.5 130.8 34.6 86.1 39.5 45 82 A D > - 0 0 4 -2,-0.4 4,-2.1 -3,-0.1 -8,-0.2 -0.941 64.3 -97.1-158.1 175.3 32.5 89.1 38.2 46 83 A L H > S+ 0 0 20 -10,-3.6 4,-1.9 -2,-0.3 -9,-0.2 0.832 121.1 52.5 -69.3 -30.1 31.8 90.7 34.8 47 84 A V H > S+ 0 0 57 -11,-0.3 4,-2.1 -9,-0.3 -1,-0.2 0.946 111.1 44.1 -65.7 -51.5 34.4 93.4 35.4 48 85 A K H > S+ 0 0 8 -10,-0.3 4,-2.3 1,-0.2 5,-0.2 0.923 115.3 50.3 -61.9 -40.6 37.3 91.0 36.3 49 86 A A H X>S+ 0 0 3 -4,-2.1 5,-1.8 1,-0.2 4,-1.4 0.862 109.5 49.2 -68.8 -39.3 36.4 88.7 33.3 50 87 A G H <5S+ 0 0 50 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.877 112.2 49.8 -62.1 -42.3 36.3 91.6 30.8 51 88 A R H <5S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.888 117.9 37.9 -62.9 -46.2 39.7 92.8 32.1 52 89 A G H <5S- 0 0 0 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.680 106.9-126.1 -79.0 -19.4 41.2 89.3 31.8 53 90 A R T <5 + 0 0 115 -4,-1.4 2,-0.5 1,-0.2 -3,-0.2 0.791 44.6 170.1 71.6 28.6 39.4 88.5 28.6 54 91 A L < - 0 0 8 -5,-1.8 -1,-0.2 -6,-0.2 -35,-0.1 -0.657 21.1-160.1 -68.0 122.7 37.9 85.2 30.1 55 92 A S - 0 0 21 -37,-0.7 67,-2.9 -2,-0.5 2,-0.3 0.807 57.9 -37.5 -77.1 -34.8 35.3 84.1 27.5 56 93 A G E -ac 19 122A 0 -38,-1.1 -36,-1.3 65,-0.2 2,-0.3 -0.986 49.5-145.6-175.9 178.9 33.4 81.8 29.9 57 94 A A E -ac 20 123A 0 65,-1.8 67,-2.7 -2,-0.3 2,-0.7 -0.987 28.4-106.6-159.8 154.5 33.4 79.3 32.7 58 95 A A E - c 0 124A 1 -38,-2.5 -35,-1.7 -2,-0.3 2,-0.5 -0.825 35.3-168.6 -91.1 116.5 31.5 76.2 34.0 59 96 A L E -ac 23 125A 0 65,-2.4 67,-2.2 -2,-0.7 2,-0.3 -0.953 16.7-134.6-110.1 123.3 29.4 77.3 37.0 60 97 A A E - c 0 126A 3 -37,-0.8 2,-0.8 -2,-0.5 -35,-0.4 -0.555 11.3-136.6 -92.6 135.3 28.0 74.4 38.9 61 98 A I E + c 0 127A 0 65,-3.0 67,-1.8 -2,-0.3 2,-0.4 -0.795 49.8 175.8 -72.1 109.6 24.6 73.7 40.3 62 99 A F E + c 0 128A 15 -2,-0.8 2,-0.3 22,-0.3 26,-0.2 -0.961 23.8 160.6-131.8 137.3 25.9 72.4 43.6 63 100 A G + 0 0 0 65,-0.7 68,-0.2 -2,-0.4 18,-0.1 -0.962 9.1 162.4-143.5 157.3 24.5 71.3 47.0 64 101 A W - 0 0 31 -2,-0.3 2,-2.3 67,-0.1 20,-0.1 -0.941 55.4 -72.1-158.6 175.7 26.0 69.2 49.8 65 102 A P - 0 0 6 0, 0.0 13,-0.1 0, 0.0 12,-0.1 -0.416 58.1-159.0 -79.2 65.6 25.4 68.3 53.5 66 103 A E + 0 0 75 -2,-2.3 14,-0.0 11,-0.2 15,-0.0 -0.170 21.2 177.2 -44.3 124.0 26.6 71.7 54.8 67 104 A M 0 0 9 3,-0.1 4,-1.3 6,-0.1 -1,-0.1 0.600 360.0 360.0-103.3 -17.9 27.7 71.7 58.4 68 105 A W 0 0 155 2,-0.2 3,-0.0 3,-0.0 -2,-0.0 0.324 360.0 360.0-100.2 360.0 28.8 75.3 58.8 69 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 70 111 A P 0 0 33 0, 0.0 2,-0.5 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 146.8 29.1 72.3 63.0 71 112 A H - 0 0 119 -4,-1.3 3,-0.1 -3,-0.0 -3,-0.0 -0.937 360.0-125.6-114.4 130.4 25.9 70.1 62.7 72 113 A K - 0 0 58 -2,-0.5 2,-0.1 1,-0.1 99,-0.1 -0.463 41.6 -92.1 -68.0 145.0 26.1 66.5 61.7 73 114 A P - 0 0 44 0, 0.0 -1,-0.1 0, 0.0 -6,-0.1 -0.407 43.3-175.3 -60.0 133.0 23.9 65.6 58.6 74 115 A T > - 0 0 78 -2,-0.1 3,-1.6 -3,-0.1 4,-0.3 -0.647 47.1 -93.2-114.5 175.2 20.4 64.4 59.3 75 116 A P T > S+ 0 0 123 0, 0.0 3,-1.3 0, 0.0 4,-0.4 0.822 123.4 65.8 -65.7 -23.4 18.0 63.2 56.6 76 117 A G T 3> S+ 0 0 49 1,-0.3 4,-1.3 2,-0.2 3,-0.2 0.595 82.9 78.6 -69.8 -13.0 16.6 66.8 56.2 77 118 A F H <> S+ 0 0 38 -3,-1.6 4,-2.3 1,-0.2 -1,-0.3 0.767 81.9 64.1 -66.2 -29.6 20.0 67.8 55.0 78 119 A V H <> S+ 0 0 33 -3,-1.3 4,-1.6 -4,-0.3 -1,-0.2 0.915 102.9 47.8 -61.2 -43.2 19.2 66.4 51.5 79 120 A D H > S+ 0 0 75 -4,-0.4 4,-1.8 -3,-0.2 -1,-0.2 0.866 110.1 52.5 -68.2 -35.1 16.4 68.9 51.0 80 121 A E H X S+ 0 0 106 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.919 106.1 53.1 -62.1 -44.5 18.6 71.7 52.2 81 122 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.859 107.1 53.8 -59.3 -35.1 21.2 70.6 49.6 82 123 A R H X S+ 0 0 90 -4,-1.6 4,-2.4 2,-0.2 -1,-0.2 0.867 105.3 52.5 -66.6 -39.4 18.4 70.9 47.0 83 124 A H H X S+ 0 0 84 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.885 105.9 54.3 -60.4 -39.6 17.7 74.4 48.1 84 125 A Q H X S+ 0 0 16 -4,-2.0 4,-1.9 2,-0.2 -22,-0.3 0.896 110.2 47.6 -60.2 -41.2 21.4 75.2 47.6 85 126 A Q H X S+ 0 0 4 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.915 111.4 49.5 -66.2 -45.0 21.0 73.9 43.9 86 127 A E H X S+ 0 0 75 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.894 109.2 52.0 -64.4 -41.3 17.8 75.8 43.3 87 128 A I H X S+ 0 0 77 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.935 109.8 49.4 -55.5 -48.8 19.5 79.1 44.6 88 129 A R H X S+ 0 0 20 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.897 109.7 51.8 -63.5 -38.4 22.4 78.6 42.2 89 130 A Y H X S+ 0 0 43 -4,-2.3 4,-2.2 1,-0.2 5,-0.3 0.891 109.2 49.5 -60.9 -43.3 20.1 78.0 39.3 90 131 A K H X S+ 0 0 152 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.871 108.9 53.5 -67.3 -35.5 18.2 81.2 40.0 91 132 A I H X S+ 0 0 22 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.936 111.9 44.8 -58.9 -47.5 21.5 83.1 40.2 92 133 A L H X S+ 0 0 0 -4,-2.0 4,-1.3 2,-0.2 3,-0.3 0.927 117.3 40.5 -69.0 -50.4 22.6 81.9 36.7 93 134 A T H X S+ 0 0 40 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.826 113.8 57.7 -68.8 -28.2 19.4 82.3 34.8 94 135 A G H X S+ 0 0 6 -4,-1.5 4,-2.6 -5,-0.3 -2,-0.2 0.812 100.4 55.9 -69.6 -30.7 19.0 85.6 36.7 95 136 A M H X S+ 0 0 7 -4,-1.5 4,-2.0 -3,-0.3 -1,-0.2 0.882 110.6 45.1 -66.8 -40.9 22.4 86.9 35.4 96 137 A V H < S+ 0 0 45 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.862 113.6 50.6 -70.1 -39.3 21.2 86.3 31.8 97 138 A R H < S+ 0 0 174 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.946 119.4 35.0 -61.1 -50.2 17.8 88.0 32.6 98 139 A D H < S+ 0 0 95 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.776 129.5 33.0 -77.7 -28.4 19.4 91.1 34.2 99 140 A F >X + 0 0 43 -4,-2.0 4,-1.9 -5,-0.2 3,-1.8 -0.420 65.6 154.1-128.2 56.1 22.4 91.3 31.9 100 141 A P T 34 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.742 77.1 48.9 -63.1 -27.5 21.4 90.0 28.4 101 142 A N T 34 S+ 0 0 135 1,-0.1 3,-0.1 19,-0.0 -5,-0.1 0.523 120.6 38.6 -83.1 -6.7 24.0 92.0 26.4 102 143 A Q T <4 S+ 0 0 93 -3,-1.8 19,-2.9 1,-0.3 2,-0.3 0.668 116.7 32.0-116.6 -24.1 26.7 90.8 28.8 103 144 A V E < +d 121 0A 2 -4,-1.9 2,-0.3 17,-0.3 -1,-0.3 -0.996 51.6 168.6-141.1 140.9 26.0 87.2 29.7 104 145 A G E -d 122 0A 6 17,-2.6 19,-3.1 -2,-0.3 2,-0.5 -0.970 32.2-117.3-139.8 168.7 24.5 84.0 28.2 105 146 A I E -d 123 0A 12 -2,-0.3 2,-0.5 17,-0.2 19,-0.2 -0.908 26.6-140.7-103.4 128.4 24.3 80.3 28.9 106 147 A A - 0 0 0 17,-3.0 19,-0.5 -2,-0.5 43,-0.1 -0.798 18.6-177.9 -88.1 123.4 25.9 77.9 26.4 107 148 A Y S S+ 0 0 95 -2,-0.5 -1,-0.1 1,-0.1 17,-0.1 0.418 74.5 10.6 -98.4 0.4 24.0 74.7 25.6 108 149 A S S > S- 0 0 16 1,-0.1 4,-2.3 290,-0.0 5,-0.1 -0.967 85.6 -96.6-164.1 164.8 26.7 73.4 23.2 109 150 A P H > S+ 0 0 1 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.891 124.6 58.1 -59.7 -31.0 30.2 74.2 22.1 110 151 A E H > S+ 0 0 118 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.937 105.7 46.7 -58.5 -50.8 28.6 76.1 19.2 111 152 A D H > S+ 0 0 34 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.893 109.7 55.3 -57.4 -44.9 26.6 78.4 21.5 112 153 A F H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.944 110.3 44.5 -55.1 -48.9 29.9 79.0 23.5 113 154 A R H X S+ 0 0 116 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.904 115.4 48.7 -63.7 -43.6 31.7 80.1 20.3 114 155 A R H X S+ 0 0 110 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.941 111.4 47.6 -57.4 -54.6 28.7 82.3 19.3 115 156 A L H <>S+ 0 0 6 -4,-3.3 5,-2.8 1,-0.2 4,-0.4 0.911 110.8 53.6 -56.9 -43.2 28.3 84.0 22.7 116 157 A A H ><5S+ 0 0 25 -4,-2.4 3,-0.9 -5,-0.3 -1,-0.2 0.880 108.7 48.1 -56.7 -43.5 32.0 84.6 22.7 117 158 A M H 3<5S+ 0 0 168 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.862 108.5 54.4 -65.5 -40.1 31.8 86.4 19.3 118 159 A E T 3<5S- 0 0 84 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.498 118.7-115.0 -69.0 -7.8 28.9 88.5 20.5 119 160 A G T < 5S+ 0 0 61 -3,-0.9 2,-0.5 -4,-0.4 -3,-0.2 0.753 70.7 137.2 75.5 24.7 31.0 89.6 23.5 120 161 A K < - 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0 0 4 -5,-2.4 2,-0.3 200,-0.1 -1,-0.3 -0.902 51.9-115.3-109.9 132.1 25.8 65.4 29.3 198 239 A I E -f 150 0A 2 -49,-2.5 -47,-2.9 -2,-0.4 2,-0.5 -0.517 25.9-134.0 -68.0 126.7 29.6 65.4 30.0 199 240 A I E -fg 151 220A 2 20,-0.6 22,-2.5 -2,-0.3 2,-0.5 -0.761 17.9-155.5 -81.5 126.8 30.5 63.0 32.8 200 241 A D E -fg 152 221A 6 -49,-3.3 -47,-0.9 -2,-0.5 -46,-0.4 -0.906 14.3-176.5-108.1 120.2 33.0 64.7 35.3 201 242 A V > + 0 0 2 20,-3.1 3,-1.5 -2,-0.5 21,-0.2 0.463 41.2 121.5 -98.9 -1.7 35.2 62.5 37.3 202 243 A S T 3 S+ 0 0 1 19,-0.4 -48,-0.4 1,-0.2 23,-0.1 -0.432 82.4 17.9 -61.1 135.3 37.0 65.1 39.5 203 244 A Q T 3 S+ 0 0 4 32,-0.4 -38,-2.5 1,-0.3 -37,-0.5 0.062 97.8 120.7 92.3 -21.3 36.4 64.3 43.2 204 245 A M B < S-L 164 0D 7 -3,-1.5 -1,-0.3 -40,-0.3 -40,-0.3 -0.459 70.6-102.6 -73.4 146.1 35.3 60.6 42.6 205 246 A S > - 0 0 2 -42,-2.7 4,-2.4 -25,-0.2 -40,-0.2 -0.136 34.8-106.8 -58.4 161.8 37.1 57.7 44.1 206 247 A T H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.909 119.5 49.8 -60.8 -44.6 39.6 55.7 41.9 207 248 A K H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 -26,-0.3 0.837 110.3 50.0 -63.1 -34.6 37.3 52.7 41.6 208 249 A A H > S+ 0 0 0 -28,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.910 110.1 50.7 -72.7 -41.8 34.3 54.9 40.7 209 250 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.912 108.9 52.4 -53.5 -47.1 36.4 56.6 38.0 210 251 A E H X S+ 0 0 75 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.878 111.1 46.7 -61.8 -39.6 37.4 53.2 36.7 211 252 A Q H X S+ 0 0 44 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.851 109.4 52.9 -71.6 -38.0 33.8 52.1 36.5 212 253 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 3,-0.3 0.963 110.9 48.8 -60.0 -48.0 32.8 55.4 34.8 213 254 A A H < S+ 0 0 24 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.926 112.7 46.3 -57.9 -47.1 35.5 54.7 32.2 214 255 A A H < S+ 0 0 89 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.781 121.1 39.5 -64.0 -27.4 34.4 51.1 31.6 215 256 A L H < S+ 0 0 74 -4,-1.6 2,-0.3 -3,-0.3 -2,-0.2 0.722 92.7 94.4-100.6 -24.1 30.8 52.1 31.3 216 257 A S < - 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0 0 2 -2,-0.3 11,-2.5 28,-0.2 2,-0.2 -0.868 34.5 -88.9-127.9 163.4 46.0 67.8 39.5 227 268 A P B >> -m 237 0E 1 0, 0.0 3,-1.5 0, 0.0 4,-1.5 -0.514 17.0-137.3 -74.3 144.1 48.7 64.9 39.2 228 269 A R T 34 S+ 0 0 69 9,-2.8 10,-0.1 1,-0.3 8,-0.1 0.769 100.7 76.0 -65.4 -23.7 49.8 62.7 42.1 229 270 A A T 34 S+ 0 0 60 8,-0.4 -1,-0.3 1,-0.2 3,-0.2 0.781 103.0 39.7 -57.7 -28.5 53.3 63.1 40.8 230 271 A L T <4 S+ 0 0 35 -3,-1.5 2,-0.4 1,-0.4 -2,-0.2 0.893 137.2 6.2 -82.7 -51.2 53.1 66.6 42.3 231 272 A V S < S- 0 0 1 -4,-1.5 2,-1.6 29,-0.3 -1,-0.4 -0.991 72.6-138.4-139.6 124.5 51.3 65.9 45.5 232 273 A D + 0 0 111 -2,-0.4 55,-0.5 -3,-0.2 2,-0.3 -0.632 53.9 129.7 -91.3 82.7 50.6 62.4 46.4 233 274 A I > - 0 0 3 -2,-1.6 3,-1.2 54,-0.1 -2,-0.1 -0.936 67.8-118.1-132.8 152.1 47.0 62.6 47.7 234 275 A K T 3 S+ 0 0 122 -2,-0.3 4,-0.1 1,-0.3 -68,-0.1 0.793 112.3 66.3 -62.5 -31.3 43.9 60.6 46.8 235 276 A R T 3 S+ 0 0 8 -70,-0.1 -32,-0.4 2,-0.1 -1,-0.3 0.758 95.2 73.1 -57.8 -28.3 42.2 63.8 45.5 236 277 A N S < S- 0 0 1 -3,-1.2 2,-0.3 -11,-0.1 -11,-0.0 -0.414 90.5-100.9 -88.8 165.8 44.9 63.9 42.7 237 278 A L B -m 227 0E 8 -11,-2.5 -9,-2.8 -2,-0.1 -8,-0.4 -0.671 20.4-140.3 -94.6 134.7 45.1 61.6 39.6 238 279 A S > - 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0 0 0 -5,-2.1 2,-0.4 -6,-0.2 -29,-0.2 0.168 50.6-109.4 -94.1-160.3 38.4 63.3 27.2 251 292 A V E -h 221 0A 0 -31,-1.1 -29,-2.4 139,-0.1 2,-0.7 -0.992 2.1-146.1-141.9 140.5 40.3 66.1 29.0 252 293 A I E -hi 222 344A 2 91,-2.7 93,-2.5 -2,-0.4 2,-1.1 -0.914 19.5-155.8-103.2 108.7 42.1 66.7 32.3 253 294 A Q E - i 0 345A 0 -31,-2.9 -28,-1.6 -2,-0.7 93,-0.3 -0.774 17.9-137.7 -91.8 101.9 41.5 70.3 33.3 254 295 A V E -hi 225 346A 0 91,-2.0 93,-2.1 -2,-1.1 2,-0.4 -0.408 19.2-136.1 -70.4 125.9 44.5 71.0 35.6 255 296 A V E - i 0 347A 0 -30,-1.3 2,-2.0 -2,-0.2 93,-0.2 -0.644 11.0-138.7 -98.6 134.4 43.4 72.9 38.6 256 297 A G + 0 0 0 91,-2.3 99,-3.3 -2,-0.4 -1,-0.1 -0.356 54.0 140.5 -77.6 55.5 45.1 76.0 40.2 257 298 A F >> - 0 0 39 -2,-2.0 3,-2.1 97,-0.2 4,-0.5 -0.909 46.4-148.1-103.6 107.1 44.5 74.6 43.7 258 299 A P H >> S+ 0 0 16 0, 0.0 3,-2.0 0, 0.0 4,-2.0 0.865 90.8 48.8 -49.8 -50.1 47.7 75.5 45.7 259 300 A A H 34 S+ 0 0 23 1,-0.3 5,-0.2 2,-0.2 32,-0.0 0.588 108.4 54.7 -68.3 -10.5 47.8 72.5 48.1 260 301 A Y H <4 S+ 0 0 8 -3,-2.1 -29,-0.3 -5,-0.1 -1,-0.3 0.476 114.4 42.7 -93.9 -4.2 47.2 70.0 45.3 261 302 A L H << S+ 0 0 5 -3,-2.0 -2,-0.2 -4,-0.5 -1,-0.1 0.674 118.0 36.6-113.5 -32.1 50.3 71.5 43.5 262 303 A R S < S- 0 0 83 -4,-2.0 -1,-0.3 61,-0.1 61,-0.1 -0.994 82.6-122.4-126.0 126.2 52.8 71.9 46.2 263 304 A P - 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