==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAR-08 3CN9 . COMPND 2 MOLECULE: CARBOXYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.LAMBA,A.PESARESI . 428 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17917.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 74.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 58 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 4.7 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 . 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 . 35 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 2 0 2 2 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 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 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 2 A S 0 0 112 0, 0.0 47,-0.5 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 148.3 40.1 37.0 10.9 2 3 A E - 0 0 151 1,-0.1 2,-0.1 45,-0.1 44,-0.0 -0.358 360.0 -81.9 -81.4 167.8 38.0 39.7 9.2 3 4 A P - 0 0 31 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.386 37.1-118.7 -72.1 146.8 34.2 39.5 8.8 4 5 A L E -A 46 0A 30 42,-2.6 42,-2.9 -2,-0.1 2,-0.5 -0.716 34.8-156.0 -81.4 132.1 32.6 37.5 6.0 5 6 A I E -A 45 0A 88 -2,-0.4 2,-0.9 40,-0.2 40,-0.2 -0.946 17.6-168.5-121.0 119.3 30.6 40.1 4.0 6 7 A L E -A 44 0A 21 38,-2.9 38,-2.1 -2,-0.5 -2,-0.0 -0.823 23.1-159.1-102.6 96.5 27.6 39.2 1.8 7 8 A D - 0 0 97 -2,-0.9 35,-0.1 36,-0.2 38,-0.0 -0.119 4.2-153.7 -70.3 170.8 27.0 42.3 -0.2 8 9 A A > - 0 0 11 33,-0.1 3,-1.2 35,-0.0 2,-0.2 -0.966 30.1 -91.9-142.2 153.0 23.8 43.2 -1.9 9 10 A P T 3 S- 0 0 96 0, 0.0 3,-0.1 0, 0.0 34,-0.0 -0.514 109.4 -7.5 -69.4 131.8 23.0 45.4 -5.0 10 11 A N T 3 S- 0 0 159 -2,-0.2 31,-0.0 1,-0.1 0, 0.0 0.901 94.5-150.9 47.0 45.6 22.3 49.0 -4.0 11 12 A A < + 0 0 22 -3,-1.2 31,-0.2 1,-0.1 -1,-0.1 -0.175 30.2 170.1 -48.2 129.9 22.4 47.8 -0.4 12 13 A D + 0 0 71 29,-2.7 90,-0.4 -3,-0.1 2,-0.3 0.237 63.2 36.4-127.8 11.4 20.2 50.0 1.8 13 14 A A E -b 42 0A 0 28,-1.0 30,-2.8 88,-0.1 2,-0.4 -0.973 63.9-151.6-155.5 160.5 20.3 47.9 5.0 14 15 A C E -bc 43 106A 1 91,-2.3 93,-2.5 -2,-0.3 2,-0.5 -0.994 3.1-161.4-145.0 134.8 22.7 45.8 6.9 15 16 A I E -bc 44 107A 0 28,-2.9 30,-2.7 -2,-0.4 2,-0.7 -0.974 8.0-160.0-115.3 124.7 22.4 42.8 9.3 16 17 A I E -bc 45 108A 0 91,-2.2 93,-2.8 -2,-0.5 2,-0.5 -0.923 14.9-169.9-106.9 113.3 25.4 42.0 11.5 17 18 A W E - c 0 109A 2 28,-2.3 2,-0.4 -2,-0.7 93,-0.2 -0.911 6.4-158.1-114.3 119.7 25.1 38.4 12.7 18 19 A L E - c 0 110A 0 91,-2.7 93,-2.2 -2,-0.5 96,-0.1 -0.815 10.2-139.6-102.6 132.6 27.3 36.9 15.4 19 20 A H - 0 0 3 28,-0.5 95,-0.1 -2,-0.4 3,-0.1 -0.155 28.1-100.4 -75.0 174.4 28.0 33.2 15.8 20 21 A G > - 0 0 5 1,-0.2 3,-2.1 93,-0.2 29,-0.1 -0.252 57.6 -45.2 -92.5-179.7 28.1 31.3 19.1 21 22 A L T 3 S- 0 0 61 1,-0.3 -1,-0.2 -2,-0.1 43,-0.2 -0.142 123.7 -0.7 -48.7 130.7 30.9 30.1 21.4 22 23 A G T 3 S+ 0 0 29 41,-3.1 -1,-0.3 1,-0.2 42,-0.1 0.310 103.7 127.2 71.3 -5.2 33.7 28.3 19.6 23 24 A A < - 0 0 20 -3,-2.1 2,-0.3 40,-0.1 26,-0.3 -0.095 56.5-112.3 -82.9 179.9 32.1 28.7 16.1 24 25 A D > - 0 0 68 -3,-0.1 3,-2.3 24,-0.1 4,-0.3 -0.835 23.1-118.7-111.0 148.3 33.3 30.0 12.8 25 26 A R G > S+ 0 0 70 -2,-0.3 3,-0.5 1,-0.3 -21,-0.1 0.721 114.2 61.4 -55.5 -24.0 32.1 33.1 10.9 26 27 A T G > S+ 0 0 66 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.615 77.6 93.4 -80.6 -11.1 30.9 30.9 8.0 27 28 A D G < S+ 0 0 92 -3,-2.3 4,-0.2 1,-0.3 -1,-0.2 0.856 94.3 33.6 -45.1 -48.6 28.5 29.1 10.4 28 29 A F G <> S+ 0 0 12 -3,-0.5 4,-2.8 -4,-0.3 -1,-0.3 0.272 86.3 104.4 -97.5 11.3 25.7 31.4 9.4 29 30 A K H <> S+ 0 0 64 -3,-1.8 4,-2.7 1,-0.2 5,-0.2 0.923 82.8 48.5 -59.2 -46.4 26.6 32.0 5.8 30 31 A P H > S+ 0 0 88 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.898 112.7 49.9 -62.0 -36.3 23.8 29.6 4.5 31 32 A V H > S+ 0 0 17 -4,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.935 111.1 48.8 -64.2 -46.8 21.3 31.4 6.8 32 33 A A H X S+ 0 0 1 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.885 111.4 48.9 -60.4 -44.9 22.4 34.8 5.5 33 34 A E H X S+ 0 0 98 -4,-2.7 4,-0.9 2,-0.2 -1,-0.2 0.894 110.4 51.7 -64.8 -37.9 22.1 33.7 1.9 34 35 A A H >X S+ 0 0 40 -4,-2.2 4,-0.9 1,-0.2 3,-0.8 0.933 112.4 45.7 -63.4 -44.3 18.7 32.3 2.5 35 36 A L H 3X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.802 101.8 64.7 -70.3 -28.1 17.6 35.6 4.1 36 37 A Q H 3< S+ 0 0 40 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.798 96.9 58.6 -65.7 -23.8 19.2 37.6 1.3 37 38 A M H << S+ 0 0 157 -4,-0.9 -1,-0.2 -3,-0.8 -2,-0.2 0.899 110.7 41.9 -67.1 -40.2 16.5 35.9 -0.9 38 39 A V H < S+ 0 0 59 -4,-0.9 -2,-0.2 1,-0.3 -1,-0.2 0.848 127.2 32.6 -71.8 -36.4 14.0 37.5 1.4 39 40 A L >< + 0 0 8 -4,-2.5 3,-1.7 3,-0.1 -1,-0.3 -0.743 67.5 178.1-125.8 82.5 15.8 40.8 1.6 40 41 A P T 3 S+ 0 0 93 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.599 81.2 45.8 -64.1 -12.5 17.5 41.5 -1.7 41 42 A S T 3 S+ 0 0 31 -33,-0.1 -29,-2.7 -30,-0.1 -28,-1.0 0.139 90.2 104.1-114.8 19.1 18.9 44.9 -0.8 42 43 A T E < - b 0 13A 1 -3,-1.7 -28,-0.2 -31,-0.2 2,-0.2 -0.892 59.1-147.6-106.8 126.5 20.2 43.9 2.7 43 44 A R E - b 0 14A 32 -30,-2.8 -28,-2.9 -2,-0.5 2,-0.4 -0.588 11.2-148.4 -85.9 149.0 24.0 43.4 3.3 44 45 A F E -Ab 6 15A 0 -38,-2.1 -38,-2.9 -2,-0.2 2,-0.5 -0.982 9.7-168.7-123.0 135.2 25.1 40.7 5.8 45 46 A I E -Ab 5 16A 1 -30,-2.7 -28,-2.3 -2,-0.4 -40,-0.2 -0.990 1.6-173.6-125.0 120.9 28.2 40.9 7.9 46 47 A L E -A 4 0A 2 -42,-2.9 -42,-2.6 -2,-0.5 -28,-0.1 -0.864 13.9-161.5-116.8 94.1 29.3 37.9 9.9 47 48 A P - 0 0 9 0, 0.0 -28,-0.5 0, 0.0 2,-0.5 -0.260 15.4-122.0 -72.8 163.3 32.3 38.7 12.1 48 49 A Q - 0 0 26 -47,-0.5 -24,-0.1 -30,-0.1 3,-0.1 -0.906 19.8-129.0-107.8 127.7 34.7 36.1 13.6 49 50 A A - 0 0 1 -2,-0.5 16,-0.1 -26,-0.3 -24,-0.1 -0.560 34.3-110.6 -71.7 140.9 35.1 36.0 17.4 50 51 A P - 0 0 51 0, 0.0 14,-2.5 0, 0.0 2,-0.7 -0.302 32.3-101.2 -70.0 157.0 38.8 36.1 18.4 51 52 A S E +G 63 0B 86 12,-0.3 2,-0.3 10,-0.1 10,-0.1 -0.731 60.1 152.0 -83.4 116.4 40.4 33.0 19.8 52 53 A Q E -G 62 0B 46 10,-2.5 10,-2.5 -2,-0.7 2,-0.2 -0.901 49.1 -82.4-138.1 169.1 40.7 33.4 23.6 53 54 A A E -G 61 0B 44 -2,-0.3 2,-0.6 8,-0.3 8,-0.2 -0.507 34.2-155.9 -76.3 139.8 40.8 31.3 26.7 54 55 A V > > - 0 0 0 6,-2.0 5,-1.8 -2,-0.2 3,-1.2 -0.955 0.9-161.7-119.7 106.4 37.4 30.2 28.1 55 56 A T G >>5S+ 0 0 66 -2,-0.6 3,-2.9 1,-0.2 4,-0.6 0.954 84.1 59.4 -51.6 -61.6 37.5 29.4 31.8 56 57 A V G 345S+ 0 0 24 12,-2.9 -1,-0.2 1,-0.3 13,-0.1 0.650 105.9 52.3 -48.7 -16.2 34.4 27.2 32.1 57 58 A N G <45S- 0 0 74 -3,-1.2 -1,-0.3 11,-0.2 -2,-0.2 0.540 134.3 -77.8-100.2 -6.4 35.9 24.8 29.6 58 59 A G T <45S- 0 0 64 -3,-2.9 -3,-0.2 -4,-0.4 -2,-0.2 0.404 74.8 -75.1 122.3 6.0 39.2 24.2 31.2 59 60 A G S < S- 0 0 17 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.545 71.7-156.4 -71.5 149.2 25.4 32.0 37.6 74 75 A A T 3 S+ 0 0 16 1,-0.3 -5,-0.1 -2,-0.1 -2,-0.1 0.745 92.5 69.7 -65.5 -22.1 25.0 32.8 34.0 75 76 A R T 3 S+ 0 0 79 1,-0.1 2,-1.9 66,-0.1 -1,-0.3 0.619 70.9 100.7 -70.9 -12.1 25.9 36.3 35.1 76 77 A A < + 0 0 28 -3,-1.8 -7,-2.4 -6,-0.1 -6,-0.7 -0.483 55.5 125.9 -79.7 79.7 29.5 35.2 35.8 77 78 A I B S-H 68 0C 15 -2,-1.9 2,-1.0 -9,-0.2 -9,-0.2 -0.772 71.6 -98.5-128.8 172.2 31.3 36.5 32.7 78 79 A D > - 0 0 48 -11,-2.0 4,-1.9 -2,-0.3 -11,-0.2 -0.814 35.8-172.1 -92.0 101.2 34.2 38.7 31.8 79 80 A E H > S+ 0 0 57 -2,-1.0 4,-2.3 1,-0.2 -1,-0.2 0.767 79.9 60.3 -69.5 -23.6 32.4 42.0 31.1 80 81 A D H > S+ 0 0 131 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.923 107.3 44.6 -69.2 -42.4 35.5 43.7 29.8 81 82 A Q H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 111.6 54.8 -65.8 -39.2 35.8 41.1 27.1 82 83 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.925 109.9 46.5 -59.0 -43.2 32.1 41.4 26.4 83 84 A N H X S+ 0 0 26 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.854 108.1 55.0 -68.6 -33.3 32.5 45.2 26.0 84 85 A A H X S+ 0 0 55 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.931 111.4 46.1 -63.8 -43.8 35.5 44.7 23.7 85 86 A S H X S+ 0 0 2 -4,-2.5 4,-2.0 -20,-0.4 3,-0.3 0.932 110.4 52.2 -62.8 -45.0 33.3 42.5 21.5 86 87 A A H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.893 107.9 53.3 -57.8 -40.1 30.5 45.0 21.7 87 88 A D H X S+ 0 0 70 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.841 104.4 54.5 -64.6 -32.6 33.0 47.6 20.5 88 89 A Q H X S+ 0 0 93 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.2 0.901 110.8 46.1 -66.4 -38.1 33.9 45.4 17.6 89 90 A V H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.913 110.4 52.9 -68.7 -41.8 30.2 45.4 16.7 90 91 A I H X S+ 0 0 24 -4,-2.6 4,-3.3 1,-0.2 -2,-0.2 0.883 105.3 55.0 -62.8 -35.7 30.0 49.2 17.2 91 92 A A H X S+ 0 0 57 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.915 109.4 47.2 -63.8 -40.5 32.9 49.7 14.8 92 93 A L H X S+ 0 0 25 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.916 113.1 48.5 -67.5 -40.9 31.0 47.7 12.1 93 94 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.946 110.9 50.7 -62.1 -47.5 27.8 49.7 12.8 94 95 A D H X S+ 0 0 78 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.911 108.9 52.2 -57.1 -42.4 29.8 53.0 12.6 95 96 A E H X S+ 0 0 90 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.911 109.3 48.8 -61.5 -42.7 31.3 51.9 9.3 96 97 A Q H <>S+ 0 0 3 -4,-2.0 5,-2.4 2,-0.2 -1,-0.2 0.885 111.0 49.7 -65.9 -39.8 27.9 51.1 7.8 97 98 A R H ><5S+ 0 0 97 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.918 107.2 54.5 -66.3 -39.1 26.4 54.5 8.9 98 99 A A H 3<5S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.4 55.4 -63.2 -26.0 29.5 56.3 7.4 99 100 A K T 3<5S- 0 0 122 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.410 128.6 -98.5 -85.3 0.5 28.6 54.4 4.1 100 101 A G T < 5S+ 0 0 63 -3,-2.0 2,-0.5 1,-0.3 -3,-0.2 0.490 74.9 141.3 99.8 0.0 25.1 55.8 4.2 101 102 A I < - 0 0 11 -5,-2.4 -1,-0.3 1,-0.1 -88,-0.1 -0.679 55.7-118.6 -78.1 127.8 23.1 53.0 5.7 102 103 A A > - 0 0 43 -2,-0.5 3,-1.9 -90,-0.4 29,-0.1 -0.362 11.3-128.3 -65.4 143.9 20.4 54.4 8.1 103 104 A A G > S+ 0 0 5 1,-0.3 3,-1.7 2,-0.2 28,-1.0 0.858 111.2 63.3 -59.9 -34.7 20.8 53.3 11.7 104 105 A E G 3 S+ 0 0 116 1,-0.3 -1,-0.3 26,-0.2 26,-0.1 0.631 103.5 49.3 -63.0 -16.1 17.1 52.4 11.5 105 106 A R G < S+ 0 0 55 -3,-1.9 -91,-2.3 109,-0.0 2,-0.5 0.003 88.3 94.0-116.0 27.7 18.0 49.8 8.8 106 107 A I E < -c 14 0A 0 -3,-1.7 25,-2.3 -93,-0.2 26,-0.7 -0.987 54.8-174.4-118.3 120.0 20.9 48.2 10.7 107 108 A I E -cd 15 132A 1 -93,-2.5 -91,-2.2 -2,-0.5 2,-0.3 -0.953 13.4-145.2-120.8 135.8 19.8 45.1 12.6 108 109 A L E -cd 16 133A 0 24,-2.2 26,-2.4 -2,-0.4 2,-0.3 -0.750 17.8-177.5 -98.9 147.7 22.0 43.0 14.9 109 110 A A E +cd 17 134A 0 -93,-2.8 -91,-2.7 -2,-0.3 2,-0.3 -0.986 3.6 173.7-143.0 147.7 21.6 39.2 15.2 110 111 A G E -cd 18 135A 0 24,-1.8 26,-2.7 -2,-0.3 2,-0.5 -0.979 23.3-143.6-158.3 145.0 23.3 36.6 17.4 111 112 A F E > S- d 0 136A 23 -93,-2.2 3,-1.8 -2,-0.3 26,-0.2 -0.950 70.3 -47.0-109.7 130.1 23.1 32.9 18.3 112 113 A S T >> S+ 0 0 11 24,-2.7 4,-1.8 -2,-0.5 3,-1.1 -0.189 137.6 13.4 46.9-121.2 23.8 32.0 21.9 113 114 A Q H 3> S+ 0 0 2 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.900 132.6 53.1 -49.4 -42.2 27.0 33.8 23.1 114 115 A G H <> S+ 0 0 0 -3,-1.8 4,-2.2 1,-0.2 -1,-0.3 0.848 105.3 55.2 -62.7 -32.4 26.8 36.0 20.0 115 116 A G H <> S+ 0 0 0 -3,-1.1 4,-2.3 21,-0.2 5,-0.2 0.876 103.4 53.5 -67.8 -36.7 23.2 36.8 21.0 116 117 A A H X S+ 0 0 1 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.884 109.1 51.5 -64.6 -36.1 24.3 38.0 24.4 117 118 A V H X S+ 0 0 0 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.961 111.6 43.6 -65.8 -52.0 26.8 40.4 22.7 118 119 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.864 112.8 51.8 -65.7 -34.6 24.2 41.9 20.3 119 120 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.3 0.934 113.6 45.9 -64.5 -41.9 21.6 42.3 23.0 120 121 A H H X>S+ 0 0 4 -4,-1.9 4,-2.5 -5,-0.2 5,-1.3 0.932 112.7 50.7 -64.0 -44.6 24.3 44.1 25.2 121 122 A T H X>S+ 0 0 0 -4,-2.9 5,-3.0 1,-0.2 4,-0.7 0.956 116.5 38.6 -58.3 -53.8 25.4 46.2 22.3 122 123 A A H <5S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.835 129.7 26.9 -67.9 -36.5 21.9 47.5 21.3 123 124 A F H <5S+ 0 0 7 -4,-2.3 24,-0.4 -5,-0.2 -2,-0.2 0.582 129.7 28.9-109.6 -10.2 20.5 47.9 24.8 124 125 A R H <5S+ 0 0 74 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.606 128.5 15.5-120.4 -20.1 23.3 48.6 27.2 125 126 A R T < + 0 0 14 32,-0.3 3,-2.0 -2,-0.3 4,-0.1 -0.640 20.1 175.3-143.4 80.4 21.4 38.5 28.3 141 142 A P G > S+ 0 0 14 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.820 80.9 57.8 -55.7 -35.0 23.4 38.4 31.6 142 143 A T G > S+ 0 0 2 1,-0.2 3,-1.4 -26,-0.1 -67,-0.0 0.409 78.1 91.7 -79.8 4.0 24.0 42.1 31.6 143 144 A F G X + 0 0 15 -3,-2.0 3,-1.5 1,-0.3 -1,-0.2 0.549 63.6 84.4 -75.9 -1.2 20.2 42.9 31.5 144 145 A D G < S+ 0 0 92 -3,-0.9 -1,-0.3 1,-0.3 -2,-0.1 0.828 97.5 40.2 -65.0 -28.8 20.3 42.9 35.3 145 146 A D G < S+ 0 0 89 -3,-1.4 -1,-0.3 2,-0.0 2,-0.2 -0.012 83.8 148.1-107.3 27.4 21.4 46.6 34.8 146 147 A L < + 0 0 13 -3,-1.5 2,-0.1 1,-0.1 -22,-0.1 -0.457 12.0 163.8 -63.8 127.2 19.0 47.3 32.0 147 148 A A - 0 0 83 -24,-0.4 2,-0.2 -2,-0.2 -1,-0.1 -0.556 16.4-168.3-150.7 79.0 18.0 51.0 32.2 148 149 A L - 0 0 21 -2,-0.1 2,-0.2 4,-0.1 -24,-0.0 -0.428 12.4-150.1 -78.9 142.6 16.4 52.2 29.0 149 150 A D > - 0 0 70 -2,-0.2 4,-0.8 1,-0.0 3,-0.5 -0.419 44.0 -91.8 -93.3 175.6 15.7 55.8 27.9 150 151 A E T >4 S+ 0 0 128 1,-0.2 3,-0.7 2,-0.2 4,-0.5 0.877 121.7 59.7 -60.1 -39.3 12.7 56.4 25.6 151 152 A R G >4 S+ 0 0 104 1,-0.2 3,-0.9 2,-0.2 -1,-0.2 0.853 104.0 49.0 -61.3 -35.1 14.8 56.2 22.4 152 153 A H G >4 S+ 0 0 22 -3,-0.5 3,-1.4 1,-0.2 -1,-0.2 0.710 96.2 71.5 -79.3 -15.6 16.0 52.6 23.0 153 154 A K G << S+ 0 0 60 -4,-0.8 33,-0.6 -3,-0.7 -1,-0.2 0.728 86.5 68.5 -70.6 -16.7 12.5 51.4 23.8 154 155 A R G < S+ 0 0 220 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.566 73.4 104.4 -77.5 -9.3 11.8 51.9 20.0 155 156 A I < - 0 0 0 -3,-1.4 31,-0.2 -4,-0.1 -23,-0.1 -0.626 66.8-141.8 -78.2 113.0 14.1 49.0 19.1 156 157 A P - 0 0 15 0, 0.0 -23,-2.0 0, 0.0 2,-0.4 -0.428 18.4-164.7 -75.4 148.0 12.1 45.9 18.1 157 158 A V E -ef 133 187A 0 29,-2.0 31,-1.8 -25,-0.2 2,-0.5 -0.994 15.1-161.0-136.5 139.5 13.3 42.4 19.1 158 159 A L E -ef 134 188A 2 -25,-2.3 -23,-2.7 -2,-0.4 2,-0.5 -0.985 13.0-159.8-118.7 123.7 12.5 38.9 18.1 159 160 A H E -ef 135 189A 3 29,-2.4 31,-2.0 -2,-0.5 2,-0.4 -0.895 9.9-175.3-104.8 130.1 13.6 36.1 20.6 160 161 A L E +ef 136 190A 1 -25,-2.9 -23,-3.4 -2,-0.5 -22,-0.4 -0.970 8.6 162.9-127.0 142.0 13.9 32.5 19.3 161 162 A H E - f 0 191A 2 29,-1.8 31,-1.7 -2,-0.4 2,-0.5 -0.992 38.4-120.8-158.7 145.7 14.7 29.4 21.3 162 163 A G E > - f 0 192A 0 -2,-0.3 3,-1.7 29,-0.2 33,-0.1 -0.773 22.7-143.4 -85.7 129.9 14.5 25.6 21.1 163 164 A S T 3 S+ 0 0 54 29,-2.9 32,-0.1 -2,-0.5 -1,-0.1 0.701 101.7 50.7 -68.1 -14.5 12.3 24.3 23.9 164 165 A Q T 3 S+ 0 0 107 30,-2.6 32,-0.3 28,-0.5 -1,-0.3 0.248 77.5 148.3-103.9 11.5 14.6 21.3 24.3 165 166 A D < - 0 0 0 -3,-1.7 30,-0.1 30,-0.4 -28,-0.0 -0.239 24.0-177.7 -53.3 118.4 17.8 23.4 24.5 166 167 A D S S+ 0 0 108 3,-0.1 -1,-0.2 -2,-0.1 3,-0.1 0.220 77.8 46.2-103.8 16.2 20.4 21.6 26.7 167 168 A V S S+ 0 0 91 1,-0.4 2,-0.6 119,-0.0 -1,-0.1 0.684 119.9 27.1-118.2 -57.0 23.1 24.3 26.4 168 169 A V S S- 0 0 11 119,-0.0 -1,-0.4 -31,-0.0 -3,-0.1 -0.955 92.7-121.4-111.5 115.3 21.3 27.7 27.0 169 170 A D >> - 0 0 13 -2,-0.6 4,-1.9 1,-0.2 3,-1.5 -0.310 9.7-134.2 -58.7 129.7 18.2 27.2 29.1 170 171 A P H 3> S+ 0 0 21 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.790 108.0 61.5 -54.4 -27.9 15.0 28.3 27.3 171 172 A A H 3> S+ 0 0 34 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.836 101.7 48.9 -70.1 -32.2 14.2 30.0 30.6 172 173 A L H <> S+ 0 0 29 -3,-1.5 4,-1.3 2,-0.2 -32,-0.3 0.871 110.7 52.1 -73.8 -35.2 17.3 32.2 30.4 173 174 A G H >X S+ 0 0 3 -4,-1.9 4,-1.6 1,-0.2 3,-0.6 0.947 110.7 46.9 -62.7 -44.9 16.2 33.0 26.9 174 175 A R H 3X S+ 0 0 94 -4,-2.6 4,-3.2 1,-0.2 -1,-0.2 0.838 104.7 61.9 -65.6 -31.7 12.8 34.0 28.1 175 176 A A H 3X S+ 0 0 39 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.832 102.8 49.6 -63.6 -33.7 14.3 36.1 30.9 176 177 A A H <>S+ 0 0 0 -4,-1.7 5,-2.0 2,-0.2 3,-0.9 0.908 113.1 53.0 -73.4 -42.3 13.0 44.2 27.8 181 182 A Q H ><5S+ 0 0 105 -4,-2.4 3,-2.2 1,-0.3 -2,-0.2 0.944 104.2 56.2 -57.5 -45.9 9.3 43.7 27.9 182 183 A A H 3<5S+ 0 0 85 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.776 106.5 52.8 -59.0 -24.0 9.2 45.0 31.4 183 184 A Q T <<5S- 0 0 60 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.213 125.8 -95.0-100.9 20.6 10.9 48.2 30.1 184 185 A G T < 5S+ 0 0 51 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.698 74.2 145.7 81.8 21.4 8.5 48.9 27.3 185 186 A V < - 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