==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-MAR-08 3CL7 . COMPND 2 MOLECULE: PUUE ALLANTOINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR I.RAMAZZINA,L.CENDRON,C.FOLLI,R.BERNI,D.MONTEVERDI, . 604 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27055.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 68 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.7 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 . 0 0.0 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-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 . 1 0.2 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 . 47 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 190 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 2 0 2 0 2 2 0 4 2 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 0 6 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 3 A V 0 0 175 0, 0.0 2,-2.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.1 33.0 -16.1 -35.8 2 4 A D + 0 0 171 2,-0.1 0, 0.0 1,-0.0 0, 0.0 -0.370 360.0 178.0 -76.1 63.2 34.3 -12.5 -36.2 3 5 A Y - 0 0 114 -2,-2.7 -1,-0.0 1,-0.1 0, 0.0 -0.601 28.3-146.5 -78.7 116.6 31.2 -11.2 -34.4 4 6 A P S S+ 0 0 127 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.276 74.2 79.3 -71.4 10.3 31.3 -7.4 -34.0 5 7 A R S S- 0 0 156 3,-0.0 2,-0.8 0, 0.0 -2,-0.1 -0.928 71.0-140.4-116.3 147.3 29.4 -7.5 -30.6 6 8 A D + 0 0 94 -2,-0.4 0, 0.0 1,-0.1 0, 0.0 -0.863 26.2 169.3-104.5 93.0 30.8 -8.3 -27.2 7 9 A L S S+ 0 0 122 -2,-0.8 -1,-0.1 1,-0.1 0, 0.0 0.502 76.1 49.4 -74.3 -9.5 28.1 -10.4 -25.5 8 10 A I > + 0 0 134 1,-0.1 3,-2.4 -3,-0.1 -1,-0.1 0.846 68.3 158.8-104.5 -44.7 30.6 -11.3 -22.7 9 11 A G T 3 S- 0 0 43 1,-0.3 -1,-0.1 180,-0.0 -2,-0.1 -0.278 79.5 -9.1 57.2-126.7 32.2 -8.1 -21.4 10 12 A Y T > S- 0 0 66 1,-0.2 3,-1.7 2,-0.0 -1,-0.3 0.520 88.2-159.9 -78.0 -8.1 33.5 -8.6 -17.9 11 13 A G T < - 0 0 46 -3,-2.4 -1,-0.2 1,-0.2 -3,-0.0 -0.274 64.0 -26.0 54.8-143.0 31.9 -12.0 -17.5 12 14 A S T 3 S+ 0 0 129 1,-0.2 -1,-0.2 2,-0.0 -2,-0.0 0.390 131.4 74.4 -83.9 8.2 31.6 -13.1 -13.9 13 15 A N < + 0 0 134 -3,-1.7 -1,-0.2 2,-0.0 -2,-0.0 -0.634 59.6 172.4-124.6 74.3 34.5 -10.9 -12.9 14 16 A P - 0 0 45 0, 0.0 2,-0.0 0, 0.0 -5,-0.0 -0.591 35.5-109.9 -78.8 144.5 33.6 -7.2 -12.9 15 17 A P - 0 0 32 0, 0.0 284,-0.0 0, 0.0 -5,-0.0 -0.310 25.9-110.9 -70.1 151.6 36.3 -4.7 -11.5 16 18 A H - 0 0 69 1,-0.1 234,-0.1 2,-0.1 232,-0.1 -0.752 22.8-154.6 -79.7 122.8 35.9 -2.9 -8.2 17 19 A P - 0 0 0 0, 0.0 -1,-0.1 0, 0.0 233,-0.1 0.714 15.8-146.2 -67.5 -24.1 35.4 0.8 -9.2 18 20 A H - 0 0 107 1,-0.1 4,-0.1 5,-0.1 3,-0.1 0.917 21.7-157.5 47.9 54.2 36.8 2.1 -5.8 19 21 A W >> - 0 0 5 4,-0.4 3,-0.7 1,-0.1 4,-0.5 -0.171 27.1 -88.0 -55.2 146.9 34.4 5.1 -5.8 20 22 A P G >4 S+ 0 0 38 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 -0.205 114.8 27.4 -52.9 149.4 35.4 8.0 -3.7 21 23 A G G 34 S- 0 0 44 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.782 128.4 -80.8 66.5 27.7 34.4 7.9 0.0 22 24 A K G <4 S- 0 0 127 -3,-0.7 -1,-0.3 1,-0.2 -3,-0.1 0.844 72.0-165.8 45.7 44.6 34.4 4.1 -0.3 23 25 A A << - 0 0 3 -3,-1.0 -4,-0.4 -4,-0.5 260,-0.2 -0.300 26.8-153.3 -68.2 139.6 30.9 4.4 -1.9 24 26 A R S S+ 0 0 67 258,-2.3 226,-0.7 1,-0.2 2,-0.3 0.621 84.4 16.4 -82.2 -12.7 28.8 1.2 -2.3 25 27 A I E -ab 250 283A 0 257,-1.1 259,-2.4 224,-0.2 2,-0.5 -0.993 66.2-140.4-155.3 148.6 27.1 2.8 -5.3 26 28 A A E -ab 251 284A 0 224,-1.7 226,-1.8 -2,-0.3 2,-0.5 -0.976 19.4-156.7-111.3 129.0 27.6 5.6 -7.7 27 29 A L E -ab 252 285A 0 257,-2.8 259,-2.4 -2,-0.5 2,-0.6 -0.951 7.2-170.4-107.7 122.8 24.5 7.6 -8.7 28 30 A S E -ab 253 286A 0 224,-2.4 226,-2.6 -2,-0.5 2,-0.5 -0.889 4.7-165.9-108.8 98.4 24.5 9.5 -12.0 29 31 A F E -a 254 0A 2 -2,-0.6 67,-1.5 257,-0.5 2,-0.4 -0.722 12.0-166.0 -78.9 130.8 21.4 11.8 -12.3 30 32 A V E -ac 255 96A 0 224,-2.9 226,-1.1 -2,-0.5 2,-0.6 -0.966 12.4-162.5-124.7 132.6 21.1 12.9 -15.9 31 33 A L E -ac 256 97A 0 65,-2.2 67,-2.2 -2,-0.4 2,-0.3 -0.960 14.2-146.9-116.1 112.9 18.9 15.7 -17.2 32 34 A N E -ac 257 98A 1 224,-3.2 226,-0.9 -2,-0.6 2,-0.5 -0.556 6.8-163.1 -72.7 138.1 18.2 15.7 -20.9 33 35 A Y E + c 0 99A 2 65,-3.3 67,-2.9 -2,-0.3 71,-0.2 -0.832 38.9 132.1-125.6 97.7 17.8 19.1 -22.6 34 36 A E >> + 0 0 2 -2,-0.5 3,-2.5 65,-0.2 4,-0.5 0.494 26.7 121.1-119.3 -18.0 16.1 18.5 -26.0 35 37 A E T 34 S+ 0 0 2 1,-0.3 71,-0.1 2,-0.2 65,-0.0 -0.398 81.9 23.5 -65.2 119.5 13.3 21.0 -26.1 36 38 A G T 34 S+ 0 0 18 -2,-0.2 -1,-0.3 3,-0.1 -2,-0.0 0.232 116.4 67.8 108.1 -9.5 13.8 23.3 -29.1 37 39 A G T <4 S+ 0 0 0 -3,-2.5 91,-2.1 90,-0.1 -2,-0.2 0.414 75.5 105.9-117.7 -4.1 15.8 20.6 -30.9 38 40 A E S < S- 0 0 11 -4,-0.5 91,-0.1 1,-0.2 5,-0.1 0.011 85.3 -55.3 -72.3 178.7 13.2 18.0 -31.6 39 41 A R S S+ 0 0 39 89,-0.4 10,-1.0 9,-0.1 2,-0.3 -0.306 72.2 141.3 -58.6 133.9 11.5 17.1 -34.8 40 42 A N > > - 0 0 9 8,-0.2 5,-2.1 -3,-0.1 3,-1.5 -0.855 57.2-131.1-170.7 135.2 9.8 20.1 -36.5 41 43 A I G > 5S+ 0 0 59 23,-0.4 3,-2.0 1,-0.3 24,-0.1 0.863 111.2 66.4 -59.9 -30.5 9.3 21.4 -40.0 42 44 A L G 3 5S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 -3,-0.1 0.793 100.5 49.4 -54.8 -28.4 10.5 24.7 -38.6 43 45 A H G < 5S- 0 0 33 -3,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.366 130.7 -95.7 -95.6 3.8 13.8 23.0 -38.0 44 46 A G T < 5S+ 0 0 68 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.541 80.2 140.3 92.9 8.3 13.9 21.7 -41.5 45 47 A D < - 0 0 29 -5,-2.1 -1,-0.3 1,-0.1 3,-0.0 -0.418 58.3-128.3 -80.6 161.5 12.5 18.3 -40.7 46 48 A K S S+ 0 0 148 -2,-0.1 17,-3.2 16,-0.1 2,-0.3 0.543 86.1 16.4 -84.2 -7.0 10.0 16.5 -43.0 47 49 A E B S-J 62 0B 28 15,-0.3 15,-0.2 16,-0.2 -7,-0.1 -0.971 82.2 -89.9-159.4 164.2 7.6 15.9 -40.1 48 50 A S - 0 0 5 13,-1.7 -8,-0.2 -2,-0.3 2,-0.2 -0.323 49.4 -91.0 -78.8 166.5 6.5 16.8 -36.6 49 51 A E + 0 0 3 -10,-1.0 -1,-0.1 11,-0.1 10,-0.1 -0.490 42.1 162.6 -76.5 144.4 7.7 15.1 -33.3 50 52 A A + 0 0 16 -2,-0.2 3,-0.3 8,-0.1 8,-0.2 0.500 41.8 102.8-133.8 -13.9 5.9 12.2 -31.8 51 53 A F S S+ 0 0 61 1,-0.2 4,-0.1 169,-0.0 169,-0.1 -0.520 84.4 0.1 -81.9 137.1 8.4 10.6 -29.3 52 54 A L S S+ 0 0 7 -2,-0.2 2,-0.3 167,-0.2 -1,-0.2 0.935 90.3 111.6 55.9 71.3 8.1 11.2 -25.5 53 55 A S S S- 0 0 4 166,-0.4 -1,-0.2 -3,-0.3 5,-0.1 -0.931 81.3 -91.6-151.1 176.7 5.1 13.4 -24.7 54 56 A E S S+ 0 0 69 -2,-0.3 2,-2.2 1,-0.2 3,-0.2 0.689 108.8 86.2 -62.1 -23.1 1.7 13.2 -23.0 55 57 A M > + 0 0 59 1,-0.2 3,-2.4 -4,-0.1 -1,-0.2 -0.545 64.5 178.7 -81.5 73.8 0.3 12.4 -26.4 56 58 A V T 3 S+ 0 0 95 -2,-2.2 -1,-0.2 1,-0.3 165,-0.1 0.734 73.2 41.0 -55.6 -31.0 1.1 8.8 -25.8 57 59 A S T 3 S+ 0 0 105 -3,-0.2 -1,-0.3 163,-0.1 -2,-0.1 0.197 84.1 140.6-106.7 19.0 -0.3 7.6 -29.2 58 60 A A < - 0 0 20 -3,-2.4 -8,-0.1 -8,-0.2 -5,-0.0 -0.210 34.0-158.3 -59.2 147.3 1.0 10.4 -31.4 59 61 A Q - 0 0 139 -10,-0.1 -11,-0.1 -8,-0.0 -2,-0.0 -0.937 32.0 -95.7-120.3 150.8 2.4 9.8 -34.9 60 62 A P - 0 0 37 0, 0.0 2,-0.6 0, 0.0 -11,-0.1 -0.356 36.3-137.9 -63.5 143.1 4.7 12.1 -36.8 61 63 A L > - 0 0 71 3,-0.2 -13,-1.7 -12,-0.1 3,-1.3 -0.935 16.2-129.1-109.0 119.3 2.8 14.4 -39.2 62 64 A Q B 3 S-J 47 0B 107 -2,-0.6 -15,-0.3 1,-0.3 3,-0.1 -0.468 85.7 -8.5 -72.6 132.7 4.4 14.9 -42.6 63 65 A G T 3 S+ 0 0 50 -17,-3.2 2,-0.3 -2,-0.2 -1,-0.3 0.664 117.1 108.1 56.7 18.7 4.9 18.5 -43.7 64 66 A E < - 0 0 116 -3,-1.3 -23,-0.4 -18,-0.2 2,-0.4 -0.842 66.7-129.2-123.9 159.0 2.8 19.6 -40.7 65 67 A R - 0 0 102 -2,-0.3 2,-0.8 -25,-0.1 3,-0.1 -0.916 15.5-150.5 -99.6 134.0 3.2 21.3 -37.4 66 68 A N > - 0 0 22 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 -0.896 11.6-169.6-103.6 100.5 1.6 19.6 -34.4 67 69 A M H > S+ 0 0 110 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.921 82.5 49.6 -63.3 -45.9 0.8 22.4 -32.2 68 70 A S H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.932 111.4 50.7 -56.3 -47.7 -0.1 20.4 -29.1 69 71 A M H > S+ 0 0 2 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.905 110.6 49.3 -57.2 -44.9 3.1 18.4 -29.4 70 72 A E H X S+ 0 0 12 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.918 110.8 50.1 -58.2 -46.3 5.1 21.7 -29.6 71 73 A S H X S+ 0 0 70 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.842 106.6 54.0 -64.6 -37.7 3.3 23.1 -26.6 72 74 A L H X S+ 0 0 36 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.887 110.1 48.6 -64.4 -37.1 4.0 20.0 -24.5 73 75 A Y H >X S+ 0 0 1 -4,-1.8 4,-1.2 -5,-0.2 3,-0.9 0.909 105.0 58.1 -66.5 -40.2 7.7 20.5 -25.4 74 76 A E H 3X S+ 0 0 86 -4,-2.2 4,-2.9 1,-0.3 5,-0.4 0.829 95.1 65.3 -61.3 -30.2 7.5 24.1 -24.4 75 77 A Y H 3X>S+ 0 0 41 -4,-1.6 5,-2.8 1,-0.2 4,-2.2 0.922 99.9 53.9 -53.9 -40.3 6.4 23.0 -21.0 76 78 A G H <<>S+ 0 0 0 -3,-0.9 5,-2.2 -4,-0.8 -2,-0.2 0.913 117.4 32.2 -61.9 -46.4 9.9 21.5 -20.6 77 79 A S H <5S+ 0 0 22 -4,-1.2 -1,-0.2 3,-0.2 -2,-0.2 0.810 124.0 44.5 -85.8 -30.1 11.9 24.6 -21.5 78 80 A R H <5S- 0 0 190 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.912 136.5 -6.0 -77.3 -48.3 9.5 27.2 -20.0 79 81 A A T X5S+ 0 0 34 -4,-2.2 4,-1.4 -5,-0.4 -3,-0.2 0.723 121.9 60.6-121.2 -44.0 8.6 25.6 -16.6 80 82 A G H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.868 111.4 51.3 -65.2 -40.0 13.7 25.5 -13.5 83 85 A R H X S+ 0 0 85 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.889 113.2 45.8 -64.3 -39.5 11.7 23.3 -11.1 84 86 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.894 111.1 51.4 -68.6 -44.1 14.1 20.4 -11.7 85 87 A L H X S+ 0 0 19 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.878 109.1 51.9 -63.9 -37.1 17.2 22.5 -11.4 86 88 A K H X S+ 0 0 131 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.835 107.1 53.5 -64.8 -34.6 15.9 23.9 -8.1 87 89 A L H X S+ 0 0 11 -4,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.952 111.1 44.2 -69.5 -46.9 15.3 20.4 -6.8 88 90 A F H <>S+ 0 0 0 -4,-2.3 5,-2.2 1,-0.2 4,-0.5 0.903 112.7 52.6 -63.5 -38.1 18.9 19.2 -7.5 89 91 A K H ><5S+ 0 0 153 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.900 104.4 58.3 -63.6 -36.8 20.3 22.5 -6.1 90 92 A A H 3<5S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.795 113.4 36.2 -65.6 -28.9 18.2 21.9 -2.9 91 93 A F T 3<5S- 0 0 54 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.358 109.6-120.8-105.0 7.1 19.9 18.5 -2.2 92 94 A D T < 5 + 0 0 95 -3,-1.0 -3,-0.2 -4,-0.5 -4,-0.1 0.841 60.3 150.7 56.5 39.2 23.3 19.7 -3.5 93 95 A I < - 0 0 3 -5,-2.2 -1,-0.2 -6,-0.2 2,-0.1 -0.880 39.7-134.4-103.0 127.9 23.3 16.9 -6.1 94 96 A P - 0 0 34 0, 0.0 -65,-0.4 0, 0.0 2,-0.3 -0.466 18.7-145.4 -79.4 152.5 25.3 17.6 -9.4 95 97 A L - 0 0 0 -2,-0.1 25,-2.3 19,-0.1 2,-0.5 -0.833 13.5-144.0-113.6 151.9 23.9 16.9 -12.8 96 98 A T E -cd 30 120A 0 -67,-1.5 -65,-2.2 -2,-0.3 2,-0.6 -0.985 27.8-147.5-101.3 123.0 25.2 15.7 -16.1 97 99 A I E -cd 31 121A 0 23,-3.5 25,-2.5 -2,-0.5 2,-1.4 -0.783 8.3-152.2 -93.8 119.8 23.2 17.6 -18.7 98 100 A F E -cd 32 122A 0 -67,-2.2 -65,-3.3 -2,-0.6 2,-0.5 -0.722 31.4-172.3 -88.9 86.0 22.5 15.7 -22.0 99 101 A A E -cd 33 123A 0 23,-2.5 25,-2.2 -2,-1.4 2,-0.4 -0.747 21.5-144.4 -96.8 121.7 22.2 18.9 -24.0 100 102 A V > - 0 0 0 -67,-2.9 4,-2.4 -2,-0.5 26,-0.2 -0.677 19.0-134.6 -81.1 132.6 21.1 18.9 -27.6 101 103 A A H > S+ 0 0 0 24,-2.8 4,-2.4 -2,-0.4 25,-0.2 0.908 102.3 47.6 -63.8 -46.2 23.0 21.7 -29.4 102 104 A M H > S+ 0 0 13 24,-2.4 4,-1.4 23,-0.3 -1,-0.2 0.881 112.0 51.2 -60.4 -38.1 20.1 23.2 -31.3 103 105 A A H > S+ 0 0 0 23,-0.2 4,-0.9 2,-0.2 -2,-0.2 0.919 110.7 49.1 -62.0 -41.8 18.0 23.2 -28.1 104 106 A A H >< S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 7,-0.2 0.883 105.9 56.9 -66.6 -38.0 20.8 25.0 -26.2 105 107 A Q H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.865 107.0 50.1 -60.0 -35.3 21.1 27.5 -29.0 106 108 A R H 3< S+ 0 0 138 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.712 123.0 29.6 -79.1 -20.0 17.4 28.4 -28.6 107 109 A H XX + 0 0 52 -4,-0.9 4,-1.3 -3,-0.5 3,-0.5 -0.470 65.3 156.6-137.0 69.5 17.8 28.8 -24.8 108 110 A P H 3> S+ 0 0 37 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.792 70.6 63.8 -64.8 -30.0 21.3 30.0 -24.0 109 111 A D H 3> S+ 0 0 95 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.882 103.7 45.6 -65.2 -39.9 20.3 31.6 -20.6 110 112 A V H <> S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.880 112.8 51.3 -70.7 -36.6 19.3 28.2 -19.1 111 113 A I H X S+ 0 0 0 -4,-1.3 4,-2.4 -7,-0.2 -2,-0.2 0.944 110.7 48.6 -63.1 -47.8 22.5 26.6 -20.4 112 114 A R H X S+ 0 0 126 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.936 110.5 51.9 -57.9 -45.2 24.5 29.4 -18.8 113 115 A A H X S+ 0 0 40 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.896 108.8 50.5 -54.2 -46.9 22.6 28.9 -15.6 114 116 A M H <>S+ 0 0 0 -4,-2.3 5,-2.1 2,-0.2 4,-0.5 0.905 111.4 47.3 -60.5 -44.6 23.3 25.2 -15.6 115 117 A V H ><5S+ 0 0 54 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.925 110.0 52.1 -64.2 -43.0 27.0 25.8 -16.1 116 118 A A H 3<5S+ 0 0 77 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.794 104.9 57.7 -63.2 -26.4 27.1 28.4 -13.4 117 119 A A T 3<5S- 0 0 46 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.615 121.3-111.1 -77.2 -14.5 25.4 25.8 -11.1 118 120 A G T < 5 + 0 0 15 -3,-1.5 -3,-0.2 -4,-0.5 2,-0.2 0.547 66.7 147.3 95.9 10.4 28.4 23.5 -11.8 119 121 A H < - 0 0 16 -5,-2.1 2,-0.4 -25,-0.1 -1,-0.3 -0.504 50.9-114.1 -76.2 145.5 26.5 20.9 -13.9 120 122 A E E -d 96 0A 14 -25,-2.3 -23,-3.5 -2,-0.2 2,-0.9 -0.665 18.9-141.2 -81.4 131.3 28.4 19.2 -16.6 121 123 A I E -d 97 0A 20 -2,-0.4 38,-0.4 -25,-0.2 2,-0.3 -0.844 23.9-175.1 -94.4 106.5 27.3 19.9 -20.2 122 124 A C E -d 98 0A 0 -25,-2.5 -23,-2.5 -2,-0.9 2,-0.4 -0.785 30.7-106.5 -97.7 142.4 27.5 16.6 -22.1 123 125 A S E +de 99 161A 0 37,-2.1 39,-2.3 -2,-0.3 -23,-0.2 -0.578 32.0 178.0 -72.1 126.5 26.7 16.5 -25.9 124 126 A H - 0 0 3 -25,-2.2 -24,-0.2 1,-0.4 -1,-0.1 0.001 59.0 -87.1-114.2 23.1 23.4 15.0 -26.8 125 127 A G - 0 0 0 -26,-0.3 -24,-2.8 1,-0.1 -1,-0.4 -0.109 39.6 -81.2 97.2 165.1 23.9 15.7 -30.5 126 128 A Y S S+ 0 0 50 -26,-0.2 -24,-2.4 -25,-0.2 2,-0.3 0.925 113.0 16.9 -69.4 -46.2 23.2 18.6 -32.9 127 129 A R S S- 0 0 13 -26,-0.1 2,-1.2 -25,-0.1 -89,-0.2 -0.895 76.8-119.5-124.4 154.3 19.6 17.6 -33.3 128 130 A W S S+ 0 0 10 -91,-2.1 -89,-0.4 -2,-0.3 2,-0.3 -0.679 73.6 109.3 -93.9 83.6 17.1 15.4 -31.4 129 131 A I S S- 0 0 23 -2,-1.2 2,-0.5 -91,-0.1 36,-0.3 -0.884 76.8 -78.5-146.9 171.7 16.4 13.0 -34.2 130 132 A D - 0 0 81 -2,-0.3 3,-0.3 1,-0.1 36,-0.2 -0.687 30.6-173.6 -83.8 122.2 17.0 9.4 -35.3 131 133 A Y > + 0 0 6 34,-3.1 3,-1.4 -2,-0.5 36,-0.2 0.497 55.0 108.9 -93.7 -2.3 20.4 8.9 -36.8 132 134 A Q T 3 S+ 0 0 90 33,-0.5 -1,-0.2 1,-0.3 37,-0.1 0.816 90.5 25.2 -40.9 -49.2 19.7 5.3 -37.8 133 135 A Y T 3 S+ 0 0 207 -3,-0.3 -1,-0.3 34,-0.1 2,-0.1 0.407 90.4 122.4-104.5 1.3 19.6 6.0 -41.6 134 136 A M < - 0 0 33 -3,-1.4 -3,-0.0 1,-0.1 33,-0.0 -0.436 67.4-108.0 -72.0 138.3 21.7 9.1 -41.9 135 137 A D > - 0 0 97 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.235 27.6-117.5 -56.2 148.6 24.7 9.0 -44.3 136 138 A E H > S+ 0 0 62 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.892 111.7 57.8 -60.7 -40.4 28.1 9.0 -42.5 137 139 A A H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.895 110.1 41.8 -55.9 -50.2 29.1 12.3 -44.0 138 140 A Q H > S+ 0 0 76 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 113.1 52.2 -69.6 -37.7 26.1 14.2 -42.6 139 141 A E H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 110.2 49.3 -65.1 -43.4 26.2 12.6 -39.1 140 142 A R H X S+ 0 0 112 -4,-2.6 4,-2.6 -5,-0.2 5,-0.2 0.912 111.1 50.5 -56.9 -43.6 29.9 13.4 -38.8 141 143 A E H X S+ 0 0 123 -4,-1.6 4,-1.8 -5,-0.2 -2,-0.2 0.892 109.5 49.6 -63.9 -41.5 29.0 17.0 -39.8 142 144 A H H X S+ 0 0 17 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.928 111.1 52.5 -58.1 -44.6 26.2 17.2 -37.3 143 145 A M H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.949 108.7 45.7 -60.9 -52.3 28.7 15.9 -34.7 144 146 A L H X S+ 0 0 89 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.865 114.7 51.6 -60.8 -33.4 31.4 18.5 -35.3 145 147 A E H X S+ 0 0 60 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.916 104.7 53.6 -68.2 -45.6 28.7 21.2 -35.3 146 148 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.918 110.2 50.1 -54.4 -42.1 27.3 20.1 -32.0 147 149 A I H X S+ 0 0 16 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.944 110.0 49.3 -59.7 -48.9 30.8 20.4 -30.6 148 150 A R H X S+ 0 0 97 -4,-2.1 4,-2.0 1,-0.2 5,-0.2 0.950 112.4 47.9 -56.4 -52.6 31.3 23.9 -32.1 149 151 A I H X S+ 0 0 4 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.922 113.1 45.5 -55.7 -50.7 27.9 25.1 -30.7 150 152 A L H X S+ 0 0 1 -4,-2.3 4,-3.4 -5,-0.2 6,-0.5 0.865 109.5 55.1 -68.9 -33.9 28.4 23.8 -27.1 151 153 A T H X S+ 0 0 45 -4,-2.1 4,-3.4 -5,-0.2 -1,-0.2 0.943 113.5 41.4 -62.0 -46.8 32.0 25.1 -26.8 152 154 A E H < S+ 0 0 136 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.935 118.8 46.3 -64.6 -47.5 30.9 28.6 -27.7 153 155 A L H < S+ 0 0 42 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.921 127.7 26.6 -58.3 -48.3 27.8 28.3 -25.5 154 156 A T H < S- 0 0 30 -4,-3.4 -2,-0.2 2,-0.2 -3,-0.2 0.778 95.6-127.1 -91.8 -31.3 29.6 26.8 -22.6 155 157 A G S < S+ 0 0 59 -4,-3.4 2,-0.3 -5,-0.4 -4,-0.2 0.402 89.8 71.8 90.3 -2.6 33.2 28.1 -23.0 156 158 A E S S- 0 0 140 -6,-0.5 -2,-0.2 -5,-0.2 -1,-0.1 -0.977 87.0-115.7-140.9 130.1 34.4 24.5 -22.7 157 159 A R - 0 0 70 -2,-0.3 2,-0.2 1,-0.1 -36,-0.1 -0.322 41.8 -96.6 -60.1 149.0 34.1 21.8 -25.3 158 160 A P - 0 0 3 0, 0.0 -36,-0.1 0, 0.0 -1,-0.1 -0.474 29.4-167.2 -66.7 137.8 32.0 18.7 -24.4 159 161 A L S S+ 0 0 43 -38,-0.4 22,-3.2 -2,-0.2 23,-1.8 0.593 70.5 48.2-105.2 -16.3 33.9 15.7 -23.1 160 162 A G E - f 0 182A 0 -39,-0.3 -37,-2.1 20,-0.2 2,-0.3 -0.877 67.0-155.7-117.8 163.0 31.1 13.2 -23.3 161 163 A W E +ef 123 183A 7 21,-1.1 23,-1.8 -2,-0.3 24,-0.2 -0.968 14.8 169.1-130.7 146.6 28.6 12.2 -26.1 162 164 A Y + 0 0 12 -39,-2.3 3,-0.1 -2,-0.3 -2,-0.0 -0.753 7.9 167.6-156.2 117.8 25.2 10.6 -26.2 163 165 A T - 0 0 6 -2,-0.2 2,-1.0 1,-0.2 -1,-0.1 0.902 21.9-162.8 -87.8 -48.3 22.9 10.5 -29.2 164 166 A G S S+ 0 0 18 -36,-0.0 2,-2.0 -34,-0.0 -1,-0.2 -0.744 80.1 53.4 97.4 -84.5 20.3 8.0 -28.0 165 167 A R S S+ 0 0 51 -2,-1.0 -34,-3.1 -36,-0.3 -33,-0.5 -0.461 86.7 172.6 -84.9 70.8 18.7 7.0 -31.3 166 168 A T - 0 0 41 -2,-2.0 -34,-0.2 -35,-0.2 -36,-0.0 -0.245 24.0-141.7 -79.8 162.1 22.1 6.1 -32.9 167 169 A G > - 0 0 9 -36,-0.2 3,-0.7 -37,-0.0 4,-0.5 -0.552 44.4 -79.2-110.1-175.7 22.8 4.5 -36.3 168 170 A P T 3 S+ 0 0 102 0, 0.0 4,-0.2 0, 0.0 -36,-0.1 0.639 129.7 38.8 -60.3 -15.5 25.5 1.9 -37.2 169 171 A N T 3> S+ 0 0 37 -38,-0.2 4,-2.7 -37,-0.1 5,-0.3 0.571 86.4 96.1-111.5 -13.6 28.2 4.6 -37.4 170 172 A T H <> S+ 0 0 0 -3,-0.7 4,-2.1 1,-0.2 -1,-0.1 0.889 90.0 38.8 -45.0 -61.3 27.3 7.0 -34.5 171 173 A R H > S+ 0 0 48 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.862 114.3 54.6 -66.7 -35.7 29.7 5.5 -31.9 172 174 A R H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.938 108.9 48.6 -61.6 -44.9 32.5 5.0 -34.3 173 175 A L H X S+ 0 0 4 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.913 108.3 55.0 -61.6 -43.8 32.4 8.6 -35.4 174 176 A V H X S+ 0 0 1 -4,-2.1 4,-0.7 -5,-0.3 6,-0.4 0.935 111.9 42.5 -52.3 -47.4 32.4 9.8 -31.8 175 177 A M H < S+ 0 0 11 -4,-2.1 3,-0.4 1,-0.2 -1,-0.2 0.846 111.4 55.8 -76.1 -27.6 35.6 7.9 -31.0 176 178 A E H < S+ 0 0 87 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.768 93.3 70.2 -71.6 -26.0 37.2 8.9 -34.3 177 179 A E H < S- 0 0 57 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.868 91.5-149.2 -61.6 -38.9 36.7 12.6 -33.5 178 180 A G S < S+ 0 0 54 -4,-0.7 -1,-0.1 -3,-0.4 -3,-0.1 -0.004 70.2 81.0 104.8 -31.1 39.4 12.4 -30.8 179 181 A G + 0 0 28 -5,-0.1 2,-0.2 -21,-0.0 -4,-0.1 0.506 63.9 101.1-100.0 -6.3 38.4 14.8 -28.1 180 182 A F - 0 0 12 -6,-0.4 -20,-0.2 1,-0.2 -21,-0.1 -0.565 51.2-161.8 -77.2 140.2 35.7 12.9 -26.1 181 183 A L S S- 0 0 43 -22,-3.2 24,-2.0 -2,-0.2 2,-0.3 0.818 74.3 -7.8 -81.6 -37.6 36.7 11.3 -22.8 182 184 A Y E -fg 160 205A 0 -23,-1.8 -21,-1.1 22,-0.2 2,-0.3 -0.933 54.3-144.3-149.6 168.2 33.6 9.0 -22.9 183 185 A D E -fg 161 206A 0 22,-2.0 24,-3.0 -2,-0.3 -21,-0.2 -0.938 4.5-160.0-133.1 168.4 30.3 8.1 -24.6 184 186 A C + 0 0 0 -23,-1.8 2,-1.5 -2,-0.3 25,-0.6 0.207 51.8 121.7-130.0 12.1 27.0 6.8 -23.2 185 187 A D + 0 0 11 -24,-0.2 2,-0.3 23,-0.1 -14,-0.1 -0.191 60.5 78.0 -78.8 44.5 25.4 5.2 -26.3 186 188 A T - 0 0 14 -2,-1.5 23,-3.0 21,-0.2 3,-0.0 -0.955 50.4-168.6-143.2 163.3 25.1 1.7 -24.7 187 189 A Y + 0 0 100 -2,-0.3 24,-0.1 21,-0.2 -2,-0.0 -0.254 60.9 110.2-140.4 39.6 22.8 -0.0 -22.2 188 190 A D + 0 0 84 3,-0.1 2,-0.3 22,-0.0 22,-0.1 0.396 69.5 21.3-108.4 -4.9 25.0 -3.0 -21.7 189 191 A D - 0 0 51 20,-0.2 4,-0.1 -180,-0.1 -3,-0.0 -0.969 56.1-126.8-154.7 175.5 26.5 -2.9 -18.2 190 192 A D S S+ 0 0 80 -2,-0.3 61,-2.3 2,-0.1 -1,-0.1 0.290 95.5 48.4-105.2 3.2 26.4 -1.7 -14.6 191 193 A L S S- 0 0 1 59,-0.2 -3,-0.1 15,-0.0 59,-0.1 -0.972 88.6-101.2-141.6 153.4 30.0 -0.4 -14.8 192 194 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 15,-0.2 -0.307 42.0-178.9 -62.9 157.6 32.1 1.8 -17.1 193 195 A Y E -H 206 0A 33 13,-1.7 13,-3.1 -4,-0.1 2,-0.5 -0.979 32.8 -99.7-152.8 157.4 34.5 -0.1 -19.4 194 196 A W E -H 205 0A 39 -2,-0.3 11,-0.2 11,-0.2 13,-0.0 -0.662 47.6-105.8 -78.7 128.4 37.2 0.8 -22.0 195 197 A E > - 0 0 18 9,-3.1 3,-0.6 -2,-0.5 9,-0.3 -0.353 27.7-156.3 -48.7 120.2 35.8 0.5 -25.5 196 198 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.591 85.4 47.8 -77.7 -13.8 37.5 -2.7 -26.9 197 199 A N T 3 + 0 0 130 -193,-0.0 3,-0.1 3,-0.0 -2,-0.1 -0.061 65.7 145.4-125.9 38.9 37.1 -1.6 -30.5 198 200 A N X - 0 0 20 -3,-0.6 3,-0.9 1,-0.2 -26,-0.1 -0.647 33.7-160.3 -73.7 112.2 38.3 1.9 -30.8 199 201 A P T 3 S+ 0 0 78 0, 0.0 -1,-0.2 0, 0.0 -27,-0.0 0.917 93.5 62.0 -59.2 -41.5 40.0 2.3 -34.3 200 202 A T T 3 S- 0 0 66 1,-0.1 -2,-0.1 -3,-0.1 -24,-0.0 0.822 96.2-146.9 -46.0 -38.9 41.7 5.3 -32.9 201 203 A G < + 0 0 44 -3,-0.9 -1,-0.1 1,-0.3 3,-0.0 0.396 57.3 124.2 78.6 -5.6 43.4 3.1 -30.3 202 204 A K S S- 0 0 139 -27,-0.1 2,-0.4 1,-0.1 -1,-0.3 -0.425 80.1 -84.5 -74.9 157.6 43.3 5.9 -27.8 203 205 A P - 0 0 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7.1 2.3 604 303 B Y 0 0 116 1,-0.1 -5,-0.0 -5,-0.1 -96,-0.0 -0.521 360.0 360.0 -69.9 100.4 63.1 7.9 5.9 605 304 B T 0 0 165 -2,-1.0 -1,-0.1 -3,-0.1 -3,-0.0 0.179 360.0 360.0 -77.6 360.0 66.5 6.3 5.9