==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-MAY-03 1P99 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN PG110; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS . AUTHOR R.ZHANG,M.ZHOU,G.JOACHIMIAK,O.SCHNEEWIND,A.JOACHIMIAK, . 257 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11992.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 10.9 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 . 12 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 0 0 2 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 0 PARALLEL BRIDGES PER LADDER . 0 3 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 40 A K 0 0 140 0, 0.0 2,-0.4 0, 0.0 27,-0.2 0.000 360.0 360.0 360.0 -2.8 17.1 9.8 25.3 2 41 A V E -a 28 0A 2 25,-2.4 27,-2.7 2,-0.0 2,-0.6 -0.954 360.0-165.8-137.9 117.8 14.1 8.6 23.2 3 42 A T E -a 29 0A 23 -2,-0.4 46,-2.4 25,-0.2 47,-1.6 -0.907 5.8-165.0-107.7 121.5 13.4 9.6 19.6 4 43 A I E -ab 30 50A 0 25,-2.7 27,-3.3 -2,-0.6 2,-0.4 -0.898 9.8-145.6-106.6 125.3 10.0 8.8 18.2 5 44 A G E +ab 31 51A 0 45,-2.8 47,-2.7 -2,-0.5 2,-0.3 -0.762 22.8 173.4 -93.0 133.5 9.4 9.0 14.4 6 45 A V E -a 32 0A 3 25,-2.8 27,-2.4 -2,-0.4 47,-0.2 -0.864 25.9-161.9-130.8 166.1 6.1 10.2 13.1 7 46 A A S S+ 0 0 3 45,-0.5 2,-0.3 -2,-0.3 46,-0.1 0.185 70.2 57.9-134.6 14.0 4.7 11.0 9.6 8 47 A S S S- 0 0 10 2,-0.1 163,-0.1 27,-0.0 25,-0.1 -0.912 78.5-117.8-140.4 167.4 1.7 13.1 10.3 9 48 A N S S+ 0 0 85 161,-0.4 2,-1.9 -2,-0.3 3,-0.1 0.423 83.0 102.0 -89.0 0.2 0.9 16.4 12.1 10 49 A D + 0 0 25 1,-0.2 4,-0.2 2,-0.1 -1,-0.1 -0.533 43.0 129.4 -84.4 74.3 -1.4 15.0 14.7 11 50 A T > + 0 0 24 -2,-1.9 4,-2.3 1,-0.1 5,-0.2 0.184 23.3 107.7-115.9 15.5 1.2 15.1 17.5 12 51 A K H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 83.3 53.5 -59.3 -41.6 -0.4 16.8 20.4 13 52 A A H > S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.924 111.0 44.4 -59.1 -45.8 -0.5 13.5 22.3 14 53 A W H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.831 110.2 55.4 -69.5 -31.3 3.2 12.9 21.8 15 54 A E H X S+ 0 0 75 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.922 109.0 47.8 -65.4 -42.3 4.0 16.5 22.7 16 55 A K H X S+ 0 0 46 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.902 109.7 53.2 -63.3 -41.3 2.1 15.9 26.0 17 56 A V H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.908 108.4 49.9 -60.0 -42.6 4.1 12.6 26.4 18 57 A K H X S+ 0 0 67 -4,-2.4 4,-1.1 2,-0.2 10,-0.3 0.946 111.0 50.1 -59.2 -48.5 7.3 14.6 26.0 19 58 A E H < S+ 0 0 95 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.909 116.3 40.9 -55.2 -48.9 6.1 17.1 28.6 20 59 A L H >< S+ 0 0 10 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.821 104.9 64.9 -72.2 -35.1 5.2 14.3 31.1 21 60 A A H ><>S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 5,-1.5 0.776 87.4 71.2 -61.2 -28.5 8.3 12.1 30.4 22 61 A K G ><5S+ 0 0 122 -4,-1.1 3,-2.8 -3,-0.4 -1,-0.2 0.904 89.4 61.1 -53.6 -44.1 10.6 14.9 31.8 23 62 A K G < 5S+ 0 0 157 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.659 105.4 48.4 -58.3 -17.0 9.3 14.1 35.3 24 63 A D G < 5S- 0 0 73 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.145 122.7-106.5-108.4 15.8 10.7 10.6 34.8 25 64 A D T < 5S+ 0 0 149 -3,-2.8 2,-0.4 1,-0.2 -3,-0.2 0.923 79.0 133.7 57.6 46.4 14.1 11.9 33.6 26 65 A I < - 0 0 13 -5,-1.5 2,-0.8 -8,-0.1 -1,-0.2 -0.994 45.5-153.4-128.9 122.1 13.2 10.8 30.0 27 66 A D - 0 0 91 -2,-0.4 -25,-2.4 -3,-0.1 2,-0.3 -0.858 13.9-162.2-101.3 107.0 13.9 13.2 27.2 28 67 A V E -a 2 0A 0 -2,-0.8 2,-0.4 -10,-0.3 -25,-0.2 -0.696 5.3-168.2 -90.5 138.5 11.6 12.6 24.3 29 68 A E E -a 3 0A 110 -27,-2.7 -25,-2.7 -2,-0.3 2,-0.6 -0.990 11.0-148.3-128.6 122.7 12.3 13.9 20.8 30 69 A I E -a 4 0A 51 -2,-0.4 2,-0.5 -27,-0.2 -25,-0.2 -0.811 13.1-166.9 -94.3 118.4 9.7 13.8 18.0 31 70 A K E -a 5 0A 80 -27,-3.3 -25,-2.8 -2,-0.6 2,-0.3 -0.919 8.7-148.1-108.8 122.4 11.1 13.3 14.6 32 71 A H E -a 6 0A 94 -2,-0.5 2,-0.4 -27,-0.2 -25,-0.2 -0.666 8.5-159.3 -91.1 141.6 8.9 14.0 11.5 33 72 A F - 0 0 19 -27,-2.4 -2,-0.0 -2,-0.3 3,-0.0 -0.938 18.6-135.4-120.8 144.1 9.2 12.1 8.2 34 73 A S S S+ 0 0 72 -2,-0.4 2,-0.3 2,-0.0 -27,-0.1 0.633 80.8 6.0 -72.7 -19.0 7.9 13.1 4.8 35 74 A D S > S- 0 0 36 -27,-0.0 3,-0.9 117,-0.0 -27,-0.0 -0.948 77.8 -96.3-154.3 176.9 6.4 9.8 3.7 36 75 A Y T 3 S+ 0 0 9 -2,-0.3 4,-0.4 1,-0.2 17,-0.1 0.582 108.8 68.1 -75.9 -10.2 5.7 6.2 4.8 37 76 A N T 3 S+ 0 0 85 1,-0.1 4,-0.2 2,-0.1 -1,-0.2 0.476 95.5 51.9 -90.8 -1.3 8.8 4.7 3.3 38 77 A L S <> S+ 0 0 74 -3,-0.9 4,-2.2 2,-0.1 3,-0.3 0.829 89.9 67.2-104.9 -37.8 11.3 6.3 5.7 39 78 A P H > S+ 0 0 0 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.811 99.7 50.1 -56.1 -36.0 10.3 5.6 9.3 40 79 A N H > S+ 0 0 0 -4,-0.4 4,-2.5 2,-0.2 5,-0.2 0.878 111.6 47.5 -74.2 -34.5 10.9 1.9 9.3 41 80 A K H > S+ 0 0 117 -3,-0.3 4,-2.3 -4,-0.2 6,-0.3 0.913 111.1 52.5 -69.8 -39.6 14.4 2.1 7.8 42 81 A A H <>S+ 0 0 5 -4,-2.2 5,-2.1 1,-0.2 6,-1.2 0.884 112.6 45.2 -61.2 -38.3 15.2 4.8 10.3 43 82 A L H ><5S+ 0 0 0 -4,-1.7 3,-1.0 -5,-0.2 -1,-0.2 0.902 112.3 50.2 -71.9 -41.8 14.0 2.5 13.2 44 83 A N H 3<5S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.831 112.4 48.6 -65.7 -30.9 15.8 -0.5 11.8 45 84 A D T 3<5S- 0 0 76 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.424 115.0-114.4 -90.0 1.2 19.0 1.6 11.5 46 85 A G T < 5S+ 0 0 54 -3,-1.0 -3,-0.2 2,-0.2 -4,-0.1 0.570 80.9 125.3 79.3 7.2 18.8 2.9 15.0 47 86 A D S - C 0 199A 0 144,-0.3 4,-2.0 -2,-0.2 144,-0.2 -0.587 40.5 -94.5-107.9 172.7 -0.9 0.2 11.0 56 95 A F H > S+ 0 0 5 142,-1.4 4,-2.6 139,-0.3 141,-0.2 0.879 121.6 51.2 -53.7 -46.4 -0.5 -3.6 11.3 57 96 A A H > S+ 0 0 4 139,-2.6 4,-2.6 2,-0.2 5,-0.2 0.904 108.9 50.2 -61.6 -44.0 -1.0 -4.3 7.6 58 97 A F H > S+ 0 0 13 138,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.933 113.5 45.4 -61.5 -45.9 1.6 -1.8 6.5 59 98 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.913 111.3 53.9 -63.3 -42.4 4.2 -3.1 8.9 60 99 A D H X S+ 0 0 16 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.934 112.0 43.4 -57.1 -49.2 3.3 -6.7 7.9 61 100 A Q H X S+ 0 0 41 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.870 111.5 55.0 -66.0 -36.2 3.9 -5.9 4.2 62 101 A Y H X S+ 0 0 30 -4,-2.3 4,-1.0 -5,-0.2 -2,-0.2 0.927 109.5 46.9 -62.7 -44.1 7.0 -4.0 5.0 63 102 A K H < S+ 0 0 51 -4,-2.7 6,-0.3 1,-0.2 -1,-0.2 0.845 109.2 54.1 -66.9 -33.0 8.5 -7.0 6.8 64 103 A K H < S+ 0 0 97 -4,-1.9 3,-0.3 1,-0.2 -1,-0.2 0.825 112.6 44.3 -69.9 -29.1 7.5 -9.3 4.0 65 104 A A H < S+ 0 0 72 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.597 120.2 42.2 -89.2 -12.8 9.4 -7.0 1.6 66 105 A H >< + 0 0 83 -4,-1.0 3,-2.5 -5,-0.1 -1,-0.2 -0.618 64.0 179.1-136.2 75.9 12.4 -6.7 3.9 67 106 A K T 3 S+ 0 0 158 -3,-0.3 -1,-0.1 1,-0.3 -4,-0.1 0.676 79.3 64.5 -49.4 -23.7 13.2 -10.1 5.4 68 107 A G T 3 S+ 0 0 67 -3,-0.1 2,-0.6 2,-0.0 -1,-0.3 0.359 82.1 97.4 -85.6 8.0 16.1 -8.5 7.4 69 108 A T < - 0 0 9 -3,-2.5 2,-0.8 -6,-0.3 -3,-0.1 -0.866 48.5-174.2-105.9 118.1 13.8 -6.3 9.5 70 109 A K + 0 0 130 -2,-0.6 135,-3.0 -26,-0.1 2,-0.4 -0.726 32.0 140.3-109.0 80.0 12.8 -7.4 12.9 71 110 A I E +D 204 0A 0 -2,-0.8 2,-0.3 133,-0.3 133,-0.2 -0.938 22.8 177.4-122.3 142.8 10.3 -4.8 14.0 72 111 A S E -D 203 0A 14 131,-2.9 131,-2.6 -2,-0.4 2,-0.3 -0.947 35.4 -90.1-143.2 164.7 7.1 -5.3 16.0 73 112 A A E +D 202 0A 7 -2,-0.3 129,-0.2 129,-0.2 3,-0.1 -0.585 31.4 177.3 -76.8 130.2 4.1 -3.4 17.5 74 113 A L E S- 0 0 17 127,-3.4 2,-0.3 1,-0.4 -1,-0.2 0.758 70.5 -6.1 -99.8 -35.4 4.7 -2.4 21.1 75 114 A S E -D 201 0A 7 126,-1.3 126,-3.0 172,-0.1 -1,-0.4 -0.961 67.8-117.9-154.2 160.6 1.4 -0.6 21.6 76 115 A T E +D 200 0A 0 166,-0.3 124,-0.3 -2,-0.3 3,-0.1 -0.747 24.6 179.6-102.0 156.4 -1.6 0.5 19.5 77 116 A T E - 0 0 7 122,-2.5 163,-2.6 1,-0.4 2,-0.3 0.685 50.2 -21.8-118.9 -69.9 -2.5 4.2 19.1 78 117 A V E - E 0 239A 4 161,-0.3 121,-3.4 2,-0.0 2,-0.5 -0.950 41.5-125.6-146.0 163.4 -5.5 5.0 17.0 79 118 A L E -DE 198 238A 5 159,-2.5 159,-2.7 -2,-0.3 119,-0.1 -0.950 28.8-168.4-106.0 126.8 -7.8 3.8 14.3 80 119 A A - 0 0 0 117,-0.5 89,-0.5 -2,-0.5 90,-0.1 -0.795 19.0-135.1-123.8 87.8 -7.8 6.5 11.5 81 120 A P - 0 0 11 0, 0.0 2,-0.1 0, 0.0 108,-0.1 -0.043 14.1-125.9 -45.2 135.0 -10.6 5.7 9.1 82 121 A L - 0 0 0 106,-0.1 105,-2.6 86,-0.1 2,-0.3 -0.467 31.4-161.5 -79.4 153.4 -9.9 6.0 5.4 83 122 A G E -FG 167 186B 0 84,-1.2 84,-2.1 103,-0.2 2,-0.5 -0.983 22.8-127.8-144.5 154.6 -12.1 8.2 3.3 84 123 A I E -FG 166 185B 0 101,-2.8 100,-3.3 -2,-0.3 101,-1.1 -0.866 35.5-172.7 -97.4 130.0 -13.2 9.0 -0.3 85 124 A Y E +F 165 0B 6 80,-3.0 80,-2.3 -2,-0.5 2,-0.3 -0.838 11.9 173.3-122.3 160.5 -12.8 12.7 -1.1 86 125 A S - 0 0 1 96,-0.3 78,-0.1 -2,-0.3 77,-0.1 -0.904 27.7-160.5-167.2 135.0 -13.9 14.9 -4.1 87 126 A D S S+ 0 0 93 72,-0.4 3,-0.1 75,-0.3 77,-0.1 0.252 98.2 43.4 -99.2 11.8 -13.8 18.6 -4.9 88 127 A K S S+ 0 0 115 75,-0.5 2,-0.4 1,-0.4 76,-0.1 0.700 115.6 29.4-122.2 -42.4 -16.4 18.1 -7.7 89 128 A I - 0 0 41 74,-0.4 -1,-0.4 1,-0.1 95,-0.1 -0.992 49.3-174.1-128.2 131.1 -19.2 15.7 -6.4 90 129 A K S S+ 0 0 136 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 0.355 70.5 75.5-104.7 5.2 -20.3 15.4 -2.8 91 130 A D > - 0 0 68 1,-0.1 3,-3.0 3,-0.1 -1,-0.1 -0.933 66.7-156.6-119.1 105.5 -22.7 12.5 -3.3 92 131 A V G > S+ 0 0 15 -2,-0.6 3,-0.7 92,-0.6 -1,-0.1 0.708 93.4 61.6 -54.4 -20.2 -20.8 9.2 -3.7 93 132 A K G 3 S+ 0 0 175 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.0 0.570 100.4 54.7 -84.1 -7.6 -23.8 7.8 -5.5 94 133 A K G < + 0 0 143 -3,-3.0 2,-0.4 2,-0.0 -1,-0.2 -0.117 68.6 144.1-117.1 36.4 -23.6 10.4 -8.2 95 134 A V < - 0 0 3 -3,-0.7 3,-0.1 1,-0.1 4,-0.0 -0.625 54.5-113.8 -75.0 129.0 -20.0 9.9 -9.4 96 135 A K > - 0 0 115 -2,-0.4 3,-1.7 1,-0.1 -1,-0.1 -0.294 30.6 -96.3 -68.2 148.2 -20.0 10.5 -13.1 97 136 A D T 3 S+ 0 0 91 1,-0.3 47,-0.2 48,-0.1 -1,-0.1 -0.351 111.3 23.0 -60.5 137.8 -19.2 7.7 -15.6 98 137 A G T 3 S+ 0 0 11 45,-4.0 -1,-0.3 1,-0.2 46,-0.1 0.521 86.6 164.4 82.1 5.7 -15.6 7.8 -16.6 99 138 A A < - 0 0 0 -3,-1.7 47,-2.7 44,-0.5 2,-0.4 -0.215 39.9-117.3 -58.7 144.3 -14.4 9.7 -13.5 100 139 A K E -h 146 0B 103 45,-0.2 64,-2.0 47,-0.1 63,-1.4 -0.716 33.0-166.5 -84.8 131.3 -10.7 9.7 -12.7 101 140 A V E -hi 147 164B 1 45,-3.2 47,-3.3 -2,-0.4 2,-0.4 -0.968 7.5-162.9-124.2 134.1 -9.9 8.0 -9.4 102 141 A V E +hi 148 165B 8 62,-1.8 64,-2.7 -2,-0.4 47,-0.2 -0.948 13.9 169.3-118.2 136.4 -6.7 8.1 -7.4 103 142 A I E -h 149 0B 0 45,-2.1 47,-2.7 -2,-0.4 7,-0.1 -0.916 42.3 -83.2-137.7 162.0 -5.7 5.7 -4.6 104 143 A P E -h 150 0B 0 0, 0.0 47,-0.2 0, 0.0 9,-0.1 -0.316 32.4-146.3 -63.8 152.2 -2.5 4.9 -2.6 105 144 A N + 0 0 72 45,-1.6 46,-0.1 44,-0.1 2,-0.1 0.544 61.7 104.0-102.0 -6.9 -0.0 2.6 -4.3 106 145 A D S > S- 0 0 28 44,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.461 82.7-107.6 -74.0 151.0 1.5 0.6 -1.4 107 146 A V H > S+ 0 0 66 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.866 111.1 36.7 -43.6 -59.1 0.3 -3.0 -1.0 108 147 A S H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 120.6 43.4 -69.7 -40.9 -1.8 -2.6 2.1 109 148 A N H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.809 111.7 55.2 -76.1 -26.1 -3.3 0.8 1.6 110 149 A Q H X S+ 0 0 28 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.947 111.3 43.5 -68.6 -47.1 -4.0 0.1 -2.1 111 150 A A H X S+ 0 0 1 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.917 114.5 51.3 -62.0 -42.4 -6.0 -3.0 -1.2 112 151 A R H X S+ 0 0 2 -4,-2.0 4,-1.6 19,-0.2 -1,-0.2 0.883 109.9 49.7 -60.3 -41.9 -7.7 -1.1 1.6 113 152 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.898 108.8 51.5 -66.1 -42.8 -8.6 1.7 -0.8 114 153 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.909 108.3 52.2 -62.2 -41.5 -10.1 -0.7 -3.3 115 154 A K H X S+ 0 0 82 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.875 108.3 51.7 -61.5 -37.2 -12.3 -2.2 -0.6 116 155 A L H X S+ 0 0 6 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.908 107.2 51.5 -66.8 -41.6 -13.5 1.3 0.3 117 156 A L H <>S+ 0 0 0 -4,-2.1 5,-2.6 1,-0.2 6,-0.7 0.888 112.0 48.7 -60.6 -37.8 -14.4 2.0 -3.3 118 157 A E H ><5S+ 0 0 53 -4,-2.0 3,-1.6 4,-0.2 -2,-0.2 0.904 107.8 52.8 -67.7 -42.6 -16.3 -1.3 -3.2 119 158 A A H 3<5S+ 0 0 66 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.812 106.3 54.5 -62.9 -29.6 -18.1 -0.4 0.1 120 159 A A T 3<5S- 0 0 15 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.476 118.9-115.4 -82.0 -2.9 -19.2 2.9 -1.6 121 160 A G T < 5S+ 0 0 62 -3,-1.6 -3,-0.2 2,-0.2 -2,-0.1 0.678 83.6 119.1 77.7 18.8 -20.7 0.8 -4.4 122 161 A L S - 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0 0 48 -3,-2.3 4,-1.8 1,-0.2 5,-0.1 -0.370 45.8-151.5 -59.2 127.2 12.5 -2.0 27.2 211 250 A K H > S+ 0 0 171 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.725 93.9 53.6 -74.5 -24.0 11.2 -0.4 30.4 212 251 A T H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 111.2 45.7 -76.7 -40.3 11.8 3.1 29.2 213 252 A Y H > S+ 0 0 17 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.893 109.9 56.0 -67.2 -37.7 9.7 2.5 26.0 214 253 A A H X S+ 0 0 41 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.931 107.1 49.4 -58.1 -45.5 7.1 0.8 28.2 215 254 A K H X S+ 0 0 54 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.917 108.3 54.2 -60.4 -44.4 6.9 4.0 30.2 216 255 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.903 110.6 43.6 -57.6 -46.9 6.5 6.1 27.1 217 256 A V H X S+ 0 0 16 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.819 111.0 57.5 -70.8 -27.2 3.6 4.1 25.7 218 257 A E H X S+ 0 0 115 -4,-1.8 4,-0.6 -5,-0.3 -2,-0.2 0.955 108.6 44.9 -65.2 -49.0 2.1 4.2 29.2 219 258 A L H >< S+ 0 0 16 -4,-2.7 3,-1.1 1,-0.2 6,-0.5 0.892 108.2 57.9 -61.2 -40.6 2.2 8.0 29.3 220 259 A Y H 3< S+ 0 0 8 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.905 111.9 42.0 -56.2 -41.4 0.7 8.0 25.7 221 260 A H H 3< S+ 0 0 34 -4,-1.9 -1,-0.3 -3,-0.1 -2,-0.2 0.491 91.9 111.6 -86.3 -2.9 -2.3 6.1 27.0 222 261 A S S S+ 0 0 167 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.850 117.4 53.7 -52.6 -40.8 -5.6 10.3 30.7 224 263 A E H > S+ 0 0 80 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.938 111.6 40.9 -64.1 -50.7 -3.6 13.5 30.1 225 264 A A H > S+ 0 0 0 -6,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.869 115.0 54.0 -66.0 -36.0 -2.1 12.5 26.8 226 265 A Q H X S+ 0 0 37 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.824 105.7 52.0 -68.0 -31.2 -5.4 11.0 25.7 227 266 A K H X S+ 0 0 107 -4,-1.8 4,-1.9 -5,-0.2 -1,-0.2 0.901 110.2 49.7 -70.5 -38.5 -7.2 14.3 26.5 228 267 A A H X S+ 0 0 12 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.904 110.6 50.2 -63.7 -42.9 -4.6 16.1 24.3 229 268 A L H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.922 110.1 49.5 -62.4 -45.8 -5.1 13.6 21.5 230 269 A Q H X S+ 0 0 133 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.869 111.8 47.9 -63.9 -36.1 -8.9 14.0 21.6 231 270 A E H < S+ 0 0 137 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.750 115.4 48.5 -75.4 -22.0 -8.6 17.8 21.5 232 271 A D H < S+ 0 0 35 -4,-1.3 -2,-0.2 -5,-0.2 -3,-0.2 0.926 127.4 18.9 -83.0 -48.2 -6.2 17.4 18.7 233 272 A V H >< S- 0 0 15 -4,-2.9 3,-2.7 1,-0.2 4,-0.2 0.517 83.9-169.0-102.4 -6.4 -8.0 15.0 16.3 234 273 A K T 3< S- 0 0 126 -4,-1.6 3,-0.4 -5,-0.4 -1,-0.2 -0.310 72.0 -21.9 53.8-127.4 -11.5 15.4 17.7 235 274 A D T 3 S+ 0 0 87 1,-0.2 -1,-0.3 -4,-0.1 -5,-0.1 0.254 115.3 98.1 -96.1 10.7 -13.7 12.7 16.2 236 275 A G S < S+ 0 0 5 -3,-2.7 2,-0.3 -6,-0.1 -1,-0.2 0.767 91.5 23.0 -70.1 -27.1 -11.3 12.2 13.2 237 276 A E S S- 0 0 7 -3,-0.4 -157,-0.2 -4,-0.2 -4,-0.0 -0.923 73.2-132.4-135.7 161.5 -9.6 9.2 14.8 238 277 A K E -E 79 0A 86 -159,-2.7 -159,-2.5 -2,-0.3 -3,-0.1 -0.965 25.1-126.0-118.9 120.2 -10.6 6.6 17.5 239 278 A P E -E 78 0A 69 0, 0.0 2,-0.4 0, 0.0 -161,-0.3 -0.344 28.4-171.6 -63.3 144.3 -8.1 5.9 20.2 240 279 A V - 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