==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-SEP-02 1MO4 . COMPND 2 MOLECULE: RECA; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR S.DATTA,N.GANESH,N.R.CHANDRA,TB STRUCTURAL GENOMICS CONSORTI . 324 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16576.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 234 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 11.4 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 1 1 0 0 0 2 0 0 2 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 1 A M 0 0 137 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 135.6 62.6 43.7 26.2 2 2 A T + 0 0 150 2,-0.0 0, 0.0 0, 0.0 0, 0.0 0.151 360.0 138.2 -78.1 21.8 62.1 40.2 25.0 3 3 A Q + 0 0 118 1,-0.1 0, 0.0 2,-0.1 0, 0.0 0.026 12.3 142.5 -61.1 172.6 58.3 41.0 24.7 4 4 A T S > S+ 0 0 71 0, 0.0 4,-0.6 0, 0.0 -1,-0.1 0.012 70.3 26.2-174.9 -61.9 56.1 40.0 21.8 5 5 A P H >> S+ 0 0 98 0, 0.0 3,-1.2 0, 0.0 4,-1.0 0.955 115.8 54.0 -85.4 -58.2 52.5 39.0 22.5 6 6 A D H 3> S+ 0 0 96 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.654 99.7 71.2 -49.5 -16.9 51.6 40.9 25.7 7 7 A R H 3> S+ 0 0 27 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.974 94.4 48.9 -65.1 -56.1 52.8 43.9 23.7 8 8 A E H X S+ 0 0 38 -4,-2.5 4,-2.1 1,-0.2 3,-0.7 0.963 108.9 49.0 -46.3 -65.4 46.2 51.9 25.4 15 15 A V H 3X S+ 0 0 39 -4,-2.6 4,-3.3 1,-0.3 5,-0.3 0.870 107.7 56.7 -38.5 -54.1 44.2 52.6 22.2 16 16 A A H 3X S+ 0 0 46 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.3 0.887 108.2 45.1 -48.1 -51.6 41.0 51.8 24.1 17 17 A Q H X S+ 0 0 67 -4,-2.1 4,-2.1 -5,-0.2 3,-0.7 0.964 111.4 48.1 -64.7 -53.4 42.7 57.1 24.3 19 19 A E H 3X S+ 0 0 55 -4,-3.3 4,-2.1 1,-0.2 -2,-0.2 0.873 108.5 58.9 -53.9 -39.1 39.6 56.4 22.1 20 20 A K H 3< S+ 0 0 171 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.805 115.0 30.4 -62.7 -36.3 37.5 56.7 25.3 21 21 A S H << S+ 0 0 88 -4,-1.3 -1,-0.2 -3,-0.7 -2,-0.2 0.631 132.0 30.0-101.5 -15.1 38.5 60.2 26.3 22 22 A Y H < S- 0 0 190 -4,-2.1 -3,-0.2 1,-0.2 -2,-0.2 0.555 116.9 -78.8-119.7 -14.6 39.2 61.8 22.9 23 23 A G >< - 0 0 31 -4,-2.1 3,-1.8 -5,-0.4 4,-0.3 -0.314 40.0 -81.8 127.9 151.4 36.9 60.0 20.5 24 24 A K T 3 S+ 0 0 176 1,-0.3 -5,-0.1 2,-0.1 -1,-0.1 0.318 126.2 43.3 -68.4 7.9 36.4 56.9 18.4 25 25 A G T 3 S+ 0 0 10 -6,-0.2 -1,-0.3 -3,-0.1 221,-0.1 0.269 77.7 108.8-132.8 6.5 38.7 58.1 15.7 26 26 A S S < S+ 0 0 33 -3,-1.8 2,-0.4 1,-0.2 -2,-0.1 0.835 90.5 18.2 -53.6 -39.9 41.5 59.6 17.8 27 27 A V S S+ 0 0 61 -4,-0.3 2,-0.3 -12,-0.1 -1,-0.2 -0.997 74.0 156.8-137.0 140.9 43.8 56.8 16.8 28 28 A M - 0 0 58 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.962 38.6-117.0-154.4 167.9 43.7 54.4 13.8 29 29 A R > - 0 0 128 -2,-0.3 3,-1.5 1,-0.1 221,-0.1 -0.928 30.5-124.6-109.4 134.5 45.8 52.2 11.7 30 30 A L T 3 S+ 0 0 105 -2,-0.4 -1,-0.1 1,-0.3 220,-0.1 0.769 113.3 46.3 -50.3 -24.6 45.9 53.2 8.0 31 31 A G T 3 S+ 0 0 71 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.657 79.9 127.2 -94.1 -16.8 44.8 49.7 7.3 32 32 A D S < S- 0 0 74 -3,-1.5 2,-0.5 1,-0.1 218,-0.3 -0.029 72.1-104.8 -41.3 140.3 42.0 49.3 9.9 33 33 A E - 0 0 182 1,-0.1 -1,-0.1 216,-0.1 -2,-0.1 -0.612 47.6-108.6 -73.6 123.2 38.7 48.1 8.3 34 34 A A - 0 0 35 -2,-0.5 215,-0.1 -3,-0.1 2,-0.1 -0.029 26.7-117.4 -52.7 152.0 36.5 51.2 8.2 35 35 A R - 0 0 99 213,-0.6 -1,-0.1 -3,-0.1 213,-0.0 -0.406 21.9-138.6 -85.5 167.1 33.5 51.7 10.5 36 36 A Q - 0 0 107 -2,-0.1 2,-0.1 19,-0.0 18,-0.1 -0.902 14.3-168.4-136.8 109.3 29.9 52.0 9.2 37 37 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.356 29.0-120.6 -86.1 172.1 27.3 54.5 10.5 38 38 A I S S+ 0 0 177 1,-0.1 2,-0.4 -2,-0.1 0, 0.0 0.933 95.0 47.9 -77.6 -49.1 23.6 54.4 9.6 39 39 A S + 0 0 59 2,-0.0 20,-0.5 20,-0.0 2,-0.3 -0.821 64.2 146.7-102.1 133.8 23.3 57.8 8.1 40 40 A V E -A 58 0A 30 -2,-0.4 15,-0.0 18,-0.1 16,-0.0 -0.975 41.0-124.7-156.8 149.8 25.7 59.1 5.5 41 41 A I E -A 57 0A 2 16,-2.4 16,-3.0 -2,-0.3 43,-0.1 -0.888 25.5-132.3-107.9 111.6 25.4 61.5 2.5 42 42 A P - 0 0 48 0, 0.0 41,-0.2 0, 0.0 42,-0.2 -0.225 5.8-144.1 -55.1 148.2 26.6 60.1 -0.8 43 43 A T - 0 0 0 2,-0.1 37,-0.2 40,-0.1 36,-0.1 0.543 43.9-108.6 -91.2 -10.2 28.9 62.5 -2.7 44 44 A G S S+ 0 0 19 35,-0.1 2,-0.3 36,-0.1 3,-0.1 0.527 98.5 83.8 95.5 7.5 27.4 61.4 -5.9 45 45 A S >> - 0 0 0 1,-0.1 4,-2.0 225,-0.1 3,-1.4 -0.766 66.4-152.0-145.4 92.2 30.5 59.5 -7.1 46 46 A I H 3> S+ 0 0 12 1,-0.3 4,-2.5 -2,-0.3 -1,-0.1 0.771 96.8 62.1 -30.1 -42.6 30.9 56.0 -5.8 47 47 A A H 34 S+ 0 0 12 1,-0.2 -1,-0.3 2,-0.2 5,-0.1 0.930 109.0 36.5 -54.2 -55.7 34.6 56.5 -6.1 48 48 A L H X> S+ 0 0 0 -3,-1.4 3,-1.1 1,-0.2 4,-1.0 0.790 113.4 61.0 -68.8 -29.4 34.8 59.4 -3.6 49 49 A D H 3< S+ 0 0 11 -4,-2.0 6,-1.1 1,-0.3 7,-0.8 0.906 107.5 43.4 -64.2 -42.1 32.2 57.7 -1.5 50 50 A V T 3< S+ 0 0 45 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.1 -0.299 110.3 55.8-100.6 47.7 34.4 54.7 -1.0 51 51 A A T <4 S+ 0 0 9 -3,-1.1 202,-0.3 -2,-0.3 -1,-0.2 0.203 99.7 59.2-143.4 -23.9 37.5 56.8 -0.4 52 52 A L S < S- 0 0 1 -4,-1.0 2,-0.7 -3,-0.3 -2,-0.2 0.653 105.5-137.8 -81.4 -18.3 35.7 58.6 2.4 53 53 A G S S+ 0 0 24 -4,-0.4 -1,-0.1 -5,-0.1 -4,-0.1 -0.290 89.4 67.0 94.2 -50.6 35.4 55.2 3.9 54 54 A I S S- 0 0 9 -2,-0.7 -4,-0.1 2,-0.4 -1,-0.1 0.185 113.2-105.2 -90.7 15.5 31.8 55.4 5.2 55 55 A G S S+ 0 0 25 -6,-1.1 2,-0.3 1,-0.1 -5,-0.2 0.811 89.6 0.8 66.8 33.3 30.3 55.5 1.7 56 56 A G S S- 0 0 0 -7,-0.8 -2,-0.4 -8,-0.2 -1,-0.1 -0.979 105.5 -32.7 153.6-161.5 29.5 59.2 1.8 57 57 A L E -A 41 0A 0 -16,-3.0 -16,-2.4 -2,-0.3 2,-0.1 -0.765 58.9-116.0 -96.6 138.1 29.7 62.2 4.0 58 58 A P E > -A 40 0A 3 0, 0.0 3,-0.5 0, 0.0 2,-0.2 -0.362 29.7-125.1 -67.8 144.5 29.5 62.0 7.8 59 59 A R T 3 S+ 0 0 63 -20,-0.5 125,-0.3 1,-0.2 124,-0.1 -0.551 85.6 19.0 -91.9 158.9 26.5 63.7 9.5 60 60 A G T 3 S+ 0 0 5 123,-1.0 2,-0.3 80,-0.3 125,-0.3 0.746 103.2 111.6 57.0 25.9 26.7 66.2 12.3 61 61 A R S < S- 0 0 93 -3,-0.5 125,-1.8 122,-0.2 2,-0.7 -0.900 73.1-115.5-127.5 155.4 30.3 66.9 11.4 62 62 A V E -b 186 0B 2 153,-0.3 155,-1.9 -2,-0.3 156,-1.0 -0.828 32.7-166.0 -94.0 117.9 32.1 69.8 9.8 63 63 A I E -bc 187 218B 0 123,-3.5 125,-2.6 -2,-0.7 2,-0.5 -0.854 3.7-156.4-104.1 138.0 33.5 69.0 6.4 64 64 A E E -bc 188 219B 0 154,-2.7 156,-3.4 -2,-0.4 2,-0.6 -0.959 7.6-172.5-117.2 129.7 36.1 71.1 4.6 65 65 A I E +bc 189 220B 0 123,-2.4 125,-3.0 -2,-0.5 2,-0.2 -0.962 18.7 166.3-121.0 112.0 36.5 71.1 0.9 66 66 A Y E +bc 190 221B 6 154,-2.6 156,-2.7 -2,-0.6 125,-0.2 -0.723 13.1 101.0-120.3 171.7 39.5 73.2 -0.3 67 67 A G - 0 0 0 123,-0.9 125,-0.4 -2,-0.2 126,-0.3 -0.800 64.8 -36.6 141.8 176.7 41.5 73.6 -3.5 68 68 A P S > S- 0 0 28 0, 0.0 3,-1.0 0, 0.0 2,-0.5 0.087 71.7 -79.8 -60.7 174.0 42.0 75.8 -6.6 69 69 A E T 3 S+ 0 0 146 1,-0.3 122,-0.0 125,-0.2 154,-0.0 -0.696 117.8 15.5 -81.1 127.6 39.3 77.7 -8.4 70 70 A S T 3 S+ 0 0 88 -2,-0.5 -1,-0.3 -3,-0.1 153,-0.1 0.760 87.1 120.1 80.5 28.9 37.5 75.4 -10.8 71 71 A S S < S- 0 0 5 -3,-1.0 152,-0.2 151,-0.1 154,-0.1 0.894 89.0 -95.9 -84.8 -48.0 38.7 72.2 -9.2 72 72 A G S >> S+ 0 0 10 -4,-0.4 4,-1.6 150,-0.2 3,-1.3 0.154 81.0 128.8 156.0 -25.6 35.3 70.9 -8.4 73 73 A K H 3> S+ 0 0 4 1,-0.3 4,-2.8 -5,-0.2 5,-0.2 0.707 77.8 47.0 -20.0 -70.1 34.4 71.8 -4.8 74 74 A T H 3> S+ 0 0 43 2,-0.2 4,-4.5 1,-0.2 5,-0.3 0.889 113.5 48.8 -48.1 -48.9 31.1 73.5 -5.4 75 75 A T H <> S+ 0 0 13 -3,-1.3 4,-2.9 2,-0.2 5,-0.3 0.982 112.3 47.7 -55.2 -60.4 29.9 70.7 -7.6 76 76 A V H X S+ 0 0 0 -4,-1.6 4,-2.0 1,-0.2 -1,-0.2 0.859 117.0 46.7 -45.7 -40.7 30.9 68.1 -5.1 77 77 A A H X S+ 0 0 0 -4,-2.8 4,-1.7 -5,-0.3 -2,-0.2 0.970 109.7 49.3 -68.7 -56.9 29.1 70.3 -2.6 78 78 A L H X S+ 0 0 2 -4,-4.5 4,-3.1 1,-0.2 -2,-0.2 0.811 112.0 51.6 -55.0 -30.9 26.0 70.8 -4.5 79 79 A H H X S+ 0 0 21 -4,-2.9 4,-2.8 -5,-0.3 5,-0.3 0.939 105.1 52.6 -70.6 -47.6 25.9 67.1 -5.1 80 80 A A H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.3 -2,-0.2 0.818 114.8 47.6 -55.4 -26.4 26.2 66.4 -1.4 81 81 A V H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -2,-0.3 0.954 108.9 48.7 -77.2 -55.5 23.3 68.8 -1.3 82 82 A A H X S+ 0 0 8 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.808 114.1 48.9 -55.0 -34.5 21.1 67.2 -4.0 83 83 A N H X S+ 0 0 51 -4,-2.8 4,-1.4 2,-0.2 3,-0.2 0.959 110.6 46.7 -71.7 -53.6 21.6 63.8 -2.4 84 84 A A H <>S+ 0 0 6 -4,-1.4 5,-1.2 -5,-0.3 -2,-0.2 0.784 114.4 53.6 -58.6 -23.5 20.7 64.9 1.1 85 85 A Q H ><5S+ 0 0 22 -4,-1.8 3,-1.4 3,-0.2 -1,-0.2 0.873 98.1 59.9 -79.6 -39.6 17.8 66.6 -0.6 86 86 A A H 3<5S+ 0 0 88 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.863 98.8 59.3 -56.4 -40.1 16.5 63.5 -2.4 87 87 A A T 3<5S- 0 0 90 -4,-1.4 -1,-0.3 1,-0.1 -2,-0.1 0.021 130.0 -96.5 -80.8 29.3 16.0 61.7 0.9 88 88 A G T < 5S+ 0 0 73 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.784 79.5 143.6 62.9 29.0 13.6 64.5 1.9 89 89 A G < - 0 0 8 -5,-1.2 2,-0.4 -6,-0.2 -1,-0.2 -0.718 47.2-125.5 -98.5 152.9 16.3 66.5 3.8 90 90 A V - 0 0 52 48,-0.4 50,-2.9 -2,-0.3 51,-0.9 -0.845 24.9-165.8-102.6 132.9 16.4 70.3 3.8 91 91 A A E -d 141 0B 1 -2,-0.4 25,-2.1 23,-0.3 2,-0.3 -0.866 6.7-160.2-118.7 151.7 19.5 72.2 2.8 92 92 A A E -de 142 116B 1 49,-1.5 51,-2.4 -2,-0.3 2,-0.4 -0.909 4.7-155.4-126.0 154.7 20.7 75.8 3.2 93 93 A F E -de 143 117B 2 23,-3.2 25,-1.8 -2,-0.3 2,-0.7 -0.856 5.2-156.0-135.9 97.7 23.4 77.7 1.3 94 94 A I E -de 144 118B 0 49,-1.7 51,-2.2 -2,-0.4 2,-0.6 -0.645 19.9-154.4 -75.6 112.8 25.0 80.6 3.0 95 95 A D E +d 145 0B 7 23,-4.3 51,-0.1 -2,-0.7 49,-0.1 -0.793 34.1 155.3 -97.7 122.2 26.3 82.7 0.1 96 96 A A S S+ 0 0 26 49,-0.6 -1,-0.1 -2,-0.6 23,-0.1 0.302 80.7 39.6-121.4 5.8 29.3 85.1 0.5 97 97 A E S S- 0 0 76 48,-0.0 -2,-0.1 0, 0.0 49,-0.1 0.538 90.1-136.1-127.5 -19.1 30.5 85.3 -3.1 98 98 A H + 0 0 128 47,-0.1 -3,-0.0 1,-0.1 21,-0.0 0.937 63.6 124.3 63.2 48.9 27.3 85.4 -5.1 99 99 A A + 0 0 76 2,-0.0 2,-0.1 46,-0.0 -1,-0.1 0.215 26.8 126.9-125.1 15.7 28.5 82.8 -7.7 100 100 A L - 0 0 43 1,-0.1 -5,-0.0 4,-0.0 -26,-0.0 -0.447 41.4-160.1 -73.3 146.3 25.8 80.2 -7.6 101 101 A D >> - 0 0 89 1,-0.2 3,-2.0 -2,-0.1 4,-1.7 -0.750 2.2-168.3-128.8 84.9 24.1 79.2 -10.9 102 102 A P H 3> S+ 0 0 62 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.844 84.0 63.1 -36.6 -56.0 20.8 77.5 -10.1 103 103 A D H 3> S+ 0 0 125 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.843 110.2 41.0 -42.4 -40.7 20.3 76.3 -13.6 104 104 A Y H <> S+ 0 0 49 -3,-2.0 4,-1.1 2,-0.2 3,-0.3 0.953 114.4 48.9 -73.5 -52.4 23.4 74.2 -13.2 105 105 A A H <>S+ 0 0 1 -4,-1.7 5,-2.0 1,-0.2 4,-0.4 0.771 108.8 58.5 -58.8 -24.0 22.7 73.1 -9.7 106 106 A K H ><5S+ 0 0 44 -4,-3.2 3,-1.6 -5,-0.3 -1,-0.2 0.922 101.5 51.3 -71.6 -45.7 19.3 72.1 -11.0 107 107 A K H 3<5S+ 0 0 158 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.698 103.6 62.4 -64.0 -17.8 20.7 69.8 -13.6 108 108 A L T 3<5S- 0 0 17 -4,-1.1 -1,-0.3 2,-0.1 -2,-0.2 0.656 126.2 -98.7 -81.5 -17.1 22.6 68.2 -10.7 109 109 A G T < 5S+ 0 0 50 -3,-1.6 2,-0.4 -4,-0.4 -3,-0.2 0.499 74.3 143.9 111.1 9.4 19.4 67.2 -9.0 110 110 A V < - 0 0 5 -5,-2.0 2,-2.1 -8,-0.1 -1,-0.3 -0.682 51.8-135.6 -83.6 127.0 19.1 70.0 -6.5 111 111 A D > + 0 0 85 -2,-0.4 3,-0.8 1,-0.2 -5,-0.1 -0.635 30.8 178.7 -80.4 86.4 15.5 71.2 -5.8 112 112 A T G > + 0 0 40 -2,-2.1 3,-2.5 1,-0.2 -1,-0.2 0.877 68.5 70.7 -58.7 -39.4 16.6 74.8 -6.0 113 113 A D G 3 S+ 0 0 151 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.859 109.6 32.0 -46.5 -43.5 13.1 76.0 -5.4 114 114 A S G < S+ 0 0 70 -3,-0.8 2,-0.6 2,-0.1 -1,-0.3 0.135 90.6 123.1-103.8 19.4 13.2 74.8 -1.8 115 115 A L < - 0 0 19 -3,-2.5 2,-0.6 -25,-0.1 -23,-0.2 -0.723 61.4-133.6 -83.3 122.2 16.9 75.5 -1.3 116 116 A L E -e 92 0B 83 -25,-2.1 -23,-3.2 -2,-0.6 2,-0.4 -0.669 29.7-178.5 -79.1 120.1 17.4 77.9 1.5 117 117 A V E -e 93 0B 70 -2,-0.6 2,-0.4 -25,-0.2 -23,-0.2 -0.928 9.4-175.1-121.9 143.5 19.9 80.5 0.5 118 118 A S E -e 94 0B 27 -25,-1.8 -23,-4.3 -2,-0.4 -2,-0.0 -0.995 12.9-162.6-137.3 140.8 21.2 83.4 2.6 119 119 A Q - 0 0 118 -2,-0.4 -23,-0.1 -25,-0.2 -25,-0.1 -0.730 23.7-154.2-127.1 80.4 23.5 86.2 1.6 120 120 A P - 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0 0 13 -8,-2.5 4,-1.4 -2,-0.5 -8,-0.3 -0.627 22.0-174.4 -77.8 99.4 29.3 61.5 -14.0 267 271 A R H >> S+ 0 0 65 -2,-1.1 4,-2.1 2,-0.2 3,-1.1 0.965 85.4 50.8 -56.2 -55.4 27.8 58.8 -11.8 268 272 A E H >> S+ 0 0 33 1,-0.3 4,-1.9 2,-0.2 3,-0.6 0.936 106.5 55.3 -45.2 -57.4 28.0 56.3 -14.7 269 273 A G H 3> S+ 0 0 2 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.773 107.4 49.7 -48.2 -33.9 31.6 57.1 -15.3 270 274 A S H <>S+ 0 0 0 -4,-1.4 6,-1.8 -5,-0.5 5,-0.9 0.925 107.5 34.1 -53.7 -52.6 33.7 48.7 -12.0 276 280 A V H ><5S+ 0 0 47 -4,-2.7 3,-2.0 1,-0.2 -1,-0.2 0.888 110.5 62.9 -72.4 -39.7 36.9 47.4 -13.7 277 281 A D T 3<5S+ 0 0 118 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.210 107.2 49.0 -70.9 19.8 39.1 48.1 -10.6 278 282 A Q T < 5S- 0 0 54 -3,-0.8 -1,-0.3 3,-0.2 -2,-0.2 0.131 110.6-115.4-143.7 17.7 36.9 45.5 -8.9 279 283 A G T < 5S+ 0 0 69 -3,-2.0 -3,-0.2 2,-0.2 -2,-0.1 0.325 92.2 105.1 63.6 -9.9 36.8 42.6 -11.4 280 284 A L S -K 287 0D 79 3,-1.9 3,-0.5 -2,-0.6 4,-0.1 -0.415 65.4 -67.3 -99.5 56.5 38.4 43.3 -23.7 285 289 A G T 3 S- 0 0 58 -2,-0.6 2,-1.9 1,-0.2 -1,-0.2 0.895 119.1 -9.1 60.4 102.6 40.4 45.9 -25.5 286 290 A A T 3 S+ 0 0 61 1,-0.1 12,-2.3 -3,-0.1 2,-0.3 -0.082 122.8 97.5 72.0 -39.2 38.3 48.9 -26.5 287 291 A W E < -KL 284 297D 95 -2,-1.9 -3,-1.9 -3,-0.5 2,-0.7 -0.612 61.9-155.3 -87.3 139.0 35.3 46.8 -25.4 288 292 A F E -KL 283 296D 31 8,-2.5 7,-1.9 -2,-0.3 8,-0.8 -0.899 18.8-176.1-114.3 101.4 33.7 47.1 -22.0 289 293 A T E -KL 282 294D 25 -7,-3.2 -7,-3.3 -2,-0.7 2,-0.4 -0.696 9.6-167.5 -99.3 150.5 32.0 43.9 -21.0 290 294 A Y E S-K 281 0D 4 3,-2.0 -9,-0.2 -2,-0.3 3,-0.1 -0.963 70.3 -27.7-140.3 120.5 29.9 43.3 -17.8 291 295 A E S S- 0 0 130 -11,-0.8 2,-0.8 -2,-0.4 3,-0.1 0.836 123.7 -51.4 43.8 43.3 28.8 39.9 -16.6 292 296 A G S S+ 0 0 58 1,-0.1 -1,-0.2 -10,-0.0 -2,-0.1 -0.789 119.3 79.8 105.7 -95.1 28.8 38.6 -20.2 293 297 A E S S- 0 0 129 -2,-0.8 -3,-2.0 -4,-0.1 -1,-0.1 -0.061 84.1-102.9 -48.7 153.9 26.9 40.8 -22.6 294 298 A Q E -L 289 0D 119 -5,-0.2 -5,-0.2 1,-0.1 -1,-0.1 -0.292 23.4-166.7 -82.6 164.5 28.7 44.0 -23.7 295 299 A L E - 0 0 10 -7,-1.9 2,-0.3 1,-0.3 -6,-0.2 0.711 57.7 -61.9-114.3 -49.0 28.4 47.7 -22.7 296 300 A G E -L 288 0D 10 -8,-0.8 -8,-2.5 9,-0.1 2,-0.8 -0.966 42.1 -87.8 172.7 172.6 30.2 49.6 -25.3 297 301 A Q E S+L 287 0D 103 -2,-0.3 4,-0.4 -10,-0.2 -10,-0.2 -0.895 97.2 8.2-105.8 104.6 33.4 50.4 -27.2 298 302 A G S > S- 0 0 30 -12,-2.3 4,-1.4 -2,-0.8 5,-0.2 -0.063 91.7 -85.9 105.4 151.7 35.2 53.2 -25.2 299 303 A K H > S+ 0 0 89 1,-0.2 4,-3.2 2,-0.2 5,-0.1 0.903 126.1 50.4 -60.7 -40.9 34.6 54.7 -21.8 300 304 A E H > S+ 0 0 110 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.961 107.3 50.3 -63.3 -52.3 32.1 57.2 -23.3 301 305 A N H > S+ 0 0 105 -4,-0.4 4,-1.9 1,-0.2 -1,-0.2 0.814 115.3 47.8 -55.9 -27.4 30.0 54.7 -25.2 302 306 A A H X S+ 0 0 0 -4,-1.4 4,-3.5 2,-0.2 5,-0.3 0.935 108.5 50.8 -77.0 -50.5 29.9 52.8 -21.9 303 307 A R H X S+ 0 0 8 -4,-3.2 4,-3.5 1,-0.2 5,-0.2 0.975 113.4 47.8 -48.0 -60.6 29.0 55.8 -19.8 304 308 A N H X S+ 0 0 39 -4,-2.9 4,-1.8 1,-0.3 5,-0.3 0.889 111.4 49.3 -46.1 -52.3 26.2 56.5 -22.3 305 309 A F H X S+ 0 0 48 -4,-1.9 4,-1.2 -5,-0.3 -1,-0.3 0.911 115.8 44.0 -57.5 -42.9 25.0 52.9 -22.2 306 310 A L H < S+ 0 0 0 -4,-3.5 7,-0.4 -3,-0.2 -2,-0.2 0.865 110.0 57.3 -69.9 -33.6 25.0 53.0 -18.5 307 311 A V H < S+ 0 0 77 -4,-3.5 3,-0.3 -5,-0.3 -2,-0.2 0.773 113.9 36.3 -70.0 -26.6 23.4 56.3 -18.4 308 312 A E H < S+ 0 0 160 -4,-1.8 -1,-0.2 -5,-0.2 3,-0.2 0.600 110.4 62.2-101.3 -11.1 20.3 55.2 -20.4 309 313 A N >X + 0 0 48 -4,-1.2 3,-2.5 -5,-0.3 4,-1.6 -0.332 61.7 163.0-105.1 48.0 20.1 51.8 -18.9 310 314 A A H 3> + 0 0 56 -3,-0.3 4,-1.8 1,-0.3 5,-0.2 0.773 69.7 64.9 -35.2 -36.1 19.5 53.1 -15.4 311 315 A D H 3> S+ 0 0 121 1,-0.2 4,-0.7 -3,-0.2 -1,-0.3 0.871 107.0 37.5 -60.5 -41.2 18.3 49.6 -14.6 312 316 A V H <> S+ 0 0 10 -3,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.802 109.2 62.1 -82.3 -30.9 21.7 47.9 -15.1 313 317 A A H X S+ 0 0 0 -4,-1.6 4,-2.7 -7,-0.4 3,-0.4 0.950 101.6 52.0 -58.9 -50.4 23.8 50.8 -13.6 314 318 A D H X S+ 0 0 73 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.879 104.5 58.8 -54.3 -37.1 22.1 50.4 -10.3 315 319 A E H X S+ 0 0 73 -4,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.930 110.0 42.3 -58.1 -45.7 23.0 46.7 -10.5 316 320 A I H X S+ 0 0 0 -4,-1.7 4,-1.8 -3,-0.4 -2,-0.2 0.890 112.0 51.4 -69.1 -43.7 26.7 47.6 -10.8 317 321 A E H X S+ 0 0 46 -4,-2.7 4,-0.8 1,-0.2 -1,-0.2 0.896 111.1 54.0 -60.8 -35.4 26.7 50.3 -8.1 318 322 A K H >X S+ 0 0 112 -4,-2.5 3,-1.1 -5,-0.3 4,-1.0 0.964 106.1 46.6 -62.0 -59.0 25.0 47.7 -5.9 319 323 A K H >X S+ 0 0 54 -4,-2.1 4,-2.7 1,-0.3 3,-0.9 0.884 108.0 55.7 -54.3 -43.6 27.5 44.8 -6.2 320 324 A I H 3<>S+ 0 0 2 -4,-1.8 5,-0.7 1,-0.3 -1,-0.3 0.818 108.7 52.4 -59.1 -26.7 30.5 47.2 -5.6 321 325 A K H <<5S+ 0 0 102 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.709 109.3 45.2 -81.3 -24.1 28.6 48.0 -2.4 322 326 A E H <<5S+ 0 0 138 -4,-1.0 -2,-0.2 -3,-0.9 -1,-0.2 0.765 108.5 60.4 -85.6 -27.7 28.3 44.4 -1.4 323 327 A K T <5S- 0 0 123 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.487 138.8 -14.3 -76.5 -4.8 31.9 43.9 -2.3 324 328 A L T 5 0 0 96 -3,-0.2 -3,-0.2 -5,-0.2 -2,-0.1 0.279 360.0 360.0-159.6 -48.2 33.0 46.5 0.3 325 329 A G < 0 0 44 -5,-0.7 -3,-0.1 -7,-0.1 -2,-0.1 -0.417 360.0 360.0 88.7 360.0 30.0 48.6 1.4