==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLYASE/TRANSLATION 02-FEB-05 1YQT . COMPND 2 MOLECULE: RNASE L INHIBITOR; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR A.KARCHER,K.BUTTNER,B.MARTENS,R.P.JANSEN,K.P.HOPFNER . 515 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22075.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 52 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 28 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 144 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.5 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 0 0 1 4 1 4 2 0 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 6 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 . 3 3 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 2 1 1 1 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 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 76 A E 0 0 154 0, 0.0 3,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 113.7 5.1 61.8 7.3 2 77 A E + 0 0 195 1,-0.2 14,-0.0 14,-0.0 0, 0.0 -0.213 360.0 99.1-112.5 37.8 8.7 63.3 7.3 3 78 A D + 0 0 83 14,-0.0 14,-2.8 13,-0.0 2,-0.4 0.088 47.9 141.3-107.5 18.8 10.5 60.5 9.2 4 79 A a E +A 16 0A 29 12,-0.2 12,-0.3 -3,-0.2 3,-0.1 -0.476 23.8 175.6 -65.2 120.7 11.7 59.0 5.9 5 80 A V E - 0 0 4 10,-3.2 47,-1.9 -2,-0.4 2,-0.3 0.835 56.4 -3.0-100.7 -36.5 15.3 57.8 6.5 6 81 A H E -A 15 0A 13 9,-1.4 9,-2.7 46,-0.3 2,-0.4 -0.947 47.7-162.8-161.4 138.6 16.4 56.1 3.3 7 82 A R E -A 14 0A 103 -2,-0.3 7,-0.2 7,-0.2 6,-0.1 -0.990 15.2-148.7-122.3 128.8 15.0 55.1 -0.1 8 83 A Y - 0 0 95 5,-3.1 2,-0.3 -2,-0.4 6,-0.1 0.538 66.1 -61.8 -75.4 -3.7 16.9 52.5 -2.2 9 84 A G S > S- 0 0 31 4,-0.3 3,-2.5 3,-0.1 2,-0.3 -0.914 84.6 -22.0 151.5-178.2 15.8 54.0 -5.5 10 85 A V T 3 S- 0 0 123 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.456 136.3 -6.5 -60.4 118.4 12.9 55.0 -7.7 11 86 A N T 3 S+ 0 0 144 -2,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.622 113.4 130.1 68.8 9.7 10.1 52.8 -6.6 12 87 A A < - 0 0 33 -3,-2.5 -1,-0.2 1,-0.2 -3,-0.1 -0.232 67.1 -61.6 -87.3-177.5 12.6 51.0 -4.3 13 88 A F - 0 0 22 -6,-0.1 -5,-3.1 -3,-0.1 2,-0.4 -0.357 49.1-158.5 -67.5 141.3 12.3 50.2 -0.6 14 89 A V E -Ab 7 215A 17 200,-1.5 202,-1.9 -7,-0.2 2,-0.4 -0.985 4.2-152.0-127.5 136.2 12.0 53.0 1.9 15 90 A L E -Ab 6 216A 0 -9,-2.7 -10,-3.2 -2,-0.4 -9,-1.4 -0.892 6.9-159.5-107.6 131.7 12.7 53.0 5.6 16 91 A Y E -Ab 4 217A 53 200,-2.4 202,-2.0 -2,-0.4 -12,-0.2 -0.955 55.2 -15.3-113.7 129.1 10.9 55.3 8.1 17 92 A R - 0 0 51 -14,-2.8 -12,-0.1 -2,-0.5 202,-0.1 0.199 67.0-116.3 67.9 172.7 12.4 56.1 11.5 18 93 A L - 0 0 11 200,-0.1 2,-0.1 199,-0.1 -1,-0.0 -0.932 23.7-103.0-140.8 159.3 15.3 54.4 13.4 19 94 A P - 0 0 0 0, 0.0 2,-0.2 0, 0.0 201,-0.1 -0.370 39.9-109.4 -78.1 167.7 15.7 52.5 16.6 20 95 A V - 0 0 11 -2,-0.1 2,-0.4 2,-0.0 184,-0.1 -0.580 24.8-151.1 -89.2 156.6 17.2 54.3 19.7 21 96 A V - 0 0 22 -2,-0.2 2,-0.4 168,-0.1 168,-0.1 -0.997 15.7-177.4-128.0 136.2 20.6 53.2 21.0 22 97 A K > - 0 0 64 -2,-0.4 3,-1.8 3,-0.3 166,-0.5 -0.967 26.3-123.5-140.3 126.4 21.5 53.6 24.6 23 98 A E T 3 S+ 0 0 115 -2,-0.4 164,-0.3 1,-0.3 163,-0.2 -0.376 99.7 24.1 -65.5 140.5 24.7 52.9 26.5 24 99 A G T 3 S+ 0 0 21 162,-1.7 2,-0.3 1,-0.2 -1,-0.3 0.463 113.2 83.9 83.7 5.1 24.2 50.4 29.3 25 100 A X S < S- 0 0 74 -3,-1.8 163,-2.2 161,-0.2 2,-0.6 -0.929 71.7-127.9-137.4 159.4 21.2 48.9 27.7 26 101 A V E -d 188 0B 0 -2,-0.3 177,-2.7 161,-0.2 178,-2.0 -0.929 20.6-161.1-108.2 124.4 20.2 46.3 25.1 27 102 A V E -de 189 204B 0 161,-3.2 163,-2.4 -2,-0.6 2,-0.3 -0.909 10.5-158.2-106.4 116.6 17.9 47.5 22.4 28 103 A G E -de 190 205B 0 176,-3.5 178,-2.2 -2,-0.7 2,-0.4 -0.681 3.9-156.7 -95.9 147.4 16.1 44.6 20.6 29 104 A I E +de 191 206B 0 161,-2.6 163,-2.1 -2,-0.3 2,-0.4 -0.984 13.8 177.3-126.1 129.9 14.6 44.8 17.1 30 105 A V E + e 0 207B 0 176,-2.4 178,-2.9 -2,-0.4 163,-0.1 -0.986 20.5 105.2-133.9 137.7 11.8 42.5 15.9 31 106 A G - 0 0 0 -2,-0.4 380,-0.4 161,-0.3 178,-0.1 -0.870 63.6 -60.7 168.8 164.4 9.9 42.3 12.7 32 107 A P > - 0 0 23 0, 0.0 3,-0.7 0, 0.0 5,-0.3 -0.103 62.3 -94.0 -61.6 159.1 9.3 40.4 9.4 33 108 A N T 3 S+ 0 0 55 1,-0.2 377,-0.0 2,-0.1 376,-0.0 -0.396 106.6 39.9 -73.7 156.7 12.1 40.3 6.9 34 109 A G T 3 S+ 0 0 41 178,-0.2 179,-3.1 -3,-0.1 -1,-0.2 0.633 85.7 105.4 80.7 17.8 12.3 42.8 4.1 35 110 A T S < S- 0 0 0 -3,-0.7 174,-0.1 177,-0.2 -2,-0.1 0.274 97.0 -93.7-112.3 10.4 11.2 45.7 6.4 36 111 A G S > S+ 0 0 7 -21,-0.1 4,-2.2 172,-0.1 5,-0.2 0.579 78.9 132.5 96.2 9.0 14.6 47.5 6.9 37 112 A K H > S+ 0 0 5 -5,-0.3 4,-1.6 1,-0.2 3,-0.1 0.954 83.3 40.3 -58.4 -49.8 16.0 46.0 10.1 38 113 A S H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.835 110.6 59.7 -68.9 -30.8 19.5 45.5 8.5 39 114 A T H > S+ 0 0 12 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 105.6 48.3 -62.6 -39.5 19.2 48.8 6.7 40 115 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.886 110.8 51.0 -67.9 -38.8 18.9 50.6 10.1 41 116 A V H X S+ 0 0 4 -4,-1.6 4,-2.1 2,-0.2 6,-0.2 0.918 110.2 49.5 -63.4 -42.6 21.9 48.6 11.4 42 117 A K H X>S+ 0 0 75 -4,-2.7 5,-2.3 2,-0.2 6,-1.3 0.901 113.1 47.4 -62.7 -42.0 23.9 49.7 8.3 43 118 A I H ><5S+ 0 0 0 -4,-2.3 3,-1.2 4,-0.2 -2,-0.2 0.959 114.5 44.0 -64.2 -53.1 23.0 53.3 8.8 44 119 A L H 3<5S+ 0 0 0 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.797 110.9 55.6 -66.0 -27.6 23.7 53.4 12.5 45 120 A A H 3<5S- 0 0 13 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.617 115.3-115.9 -78.6 -13.0 27.0 51.5 12.0 46 121 A G T <<5S+ 0 0 32 -3,-1.2 -3,-0.2 -4,-0.6 -2,-0.1 0.606 85.8 116.2 88.4 11.6 28.1 54.1 9.5 47 122 A Q S > - 0 0 33 6,-0.1 3,-2.1 -44,-0.1 5,-1.4 0.412 29.6-128.6 -94.8 4.8 19.7 59.8 1.7 52 127 A L T 3 5 - 0 0 49 -47,-1.9 -46,-0.3 1,-0.3 3,-0.1 0.791 64.4 -67.6 53.7 32.3 16.7 60.9 3.7 53 128 A a T 3 5S+ 0 0 38 1,-0.2 -1,-0.3 -48,-0.2 2,-0.1 0.755 128.9 66.9 57.9 30.1 14.6 59.8 0.8 54 129 A G T < 5S- 0 0 51 -3,-2.1 -1,-0.2 2,-0.1 -47,-0.1 -0.289 112.4 -64.5-140.2-132.1 16.1 62.6 -1.2 55 130 A D T 5S+ 0 0 143 -3,-0.1 -3,-0.1 -2,-0.1 -4,-0.1 0.213 72.3 144.5-117.1 13.1 19.6 63.3 -2.5 56 131 A N < + 0 0 25 -5,-1.4 -2,-0.1 1,-0.1 -3,-0.1 -0.262 14.0 166.7 -54.5 138.1 21.4 63.6 0.8 57 132 A D + 0 0 125 -6,-0.1 2,-0.3 -5,-0.0 -1,-0.1 0.144 47.7 67.7-141.5 20.4 24.9 62.2 0.5 58 133 A S S > S- 0 0 38 -8,-0.2 4,-1.2 1,-0.1 3,-0.2 -0.971 73.9-125.5-140.6 158.6 26.8 63.4 3.6 59 134 A W H > S+ 0 0 37 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.858 110.8 65.2 -69.3 -30.9 26.7 62.8 7.3 60 135 A D H > S+ 0 0 80 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.910 100.3 51.9 -56.7 -39.7 26.4 66.6 7.8 61 136 A G H > S+ 0 0 3 -3,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.887 110.4 47.2 -62.8 -39.5 23.0 66.3 6.1 62 137 A V H X S+ 0 0 0 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.913 108.9 54.8 -68.4 -40.9 22.0 63.6 8.5 63 138 A I H < S+ 0 0 20 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.928 112.6 42.7 -59.8 -42.9 23.2 65.6 11.5 64 139 A R H >< S+ 0 0 151 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.910 111.5 55.1 -69.4 -41.1 21.0 68.6 10.4 65 140 A A H 3< S+ 0 0 47 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 106.9 51.5 -63.0 -29.3 18.1 66.3 9.6 66 141 A F T >< S+ 0 0 27 -4,-1.9 3,-2.1 -5,-0.1 6,-0.5 0.168 74.9 140.0 -98.1 23.1 18.2 64.8 13.1 67 142 A R T < S+ 0 0 181 -3,-1.5 3,-0.1 1,-0.3 -3,-0.1 -0.346 71.4 27.9 -59.8 143.6 18.2 68.1 15.0 68 143 A G T 3 S+ 0 0 91 1,-0.3 2,-0.4 2,-0.0 -1,-0.3 0.388 104.6 102.8 83.3 -6.2 15.9 67.8 18.1 69 144 A N S X S- 0 0 63 -3,-2.1 3,-2.1 1,-0.1 4,-0.4 -0.876 78.4-128.7-112.2 144.9 16.6 64.1 18.2 70 145 A E T 3> S+ 0 0 135 -2,-0.4 4,-0.8 1,-0.3 3,-0.3 0.714 108.0 68.3 -61.3 -19.7 19.0 62.3 20.6 71 146 A L H 3> S+ 0 0 10 1,-0.2 4,-2.8 2,-0.2 -1,-0.3 0.675 78.6 79.1 -76.5 -11.8 20.6 60.7 17.5 72 147 A Q H <> S+ 0 0 53 -3,-2.1 4,-2.0 -6,-0.5 -1,-0.2 0.970 97.2 43.1 -59.7 -48.4 21.9 64.0 16.3 73 148 A N H > S+ 0 0 75 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.842 111.1 56.6 -64.0 -34.8 24.8 63.8 18.8 74 149 A Y H X S+ 0 0 12 -4,-0.8 4,-2.3 2,-0.2 -1,-0.2 0.967 109.0 44.9 -59.3 -55.0 25.3 60.1 17.9 75 150 A F H X S+ 0 0 0 -4,-2.8 4,-3.2 1,-0.2 5,-0.2 0.850 109.4 56.9 -60.8 -32.2 25.7 60.9 14.2 76 151 A E H X S+ 0 0 65 -4,-2.0 4,-2.5 -5,-0.3 -1,-0.2 0.963 110.8 44.0 -61.0 -49.7 28.1 63.8 15.1 77 152 A K H <>S+ 0 0 64 -4,-2.4 5,-2.2 1,-0.2 6,-1.2 0.837 113.7 51.6 -63.6 -32.6 30.3 61.3 17.0 78 153 A L H ><5S+ 0 0 17 -4,-2.3 3,-0.9 3,-0.2 -2,-0.2 0.941 111.1 46.0 -71.3 -46.4 29.9 58.8 14.1 79 154 A K H 3<5S+ 0 0 87 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.909 113.6 49.5 -61.7 -42.8 31.0 61.4 11.4 80 155 A N T 3<5S- 0 0 88 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.509 112.3-121.3 -74.5 -7.2 33.9 62.6 13.6 81 156 A G T < 5S+ 0 0 27 -3,-0.9 -3,-0.2 -4,-0.3 -4,-0.1 0.707 75.2 130.6 73.9 17.8 35.0 59.0 14.1 82 157 A E S + 0 0 147 1,-0.2 3,-1.8 2,-0.1 -1,-0.2 -0.451 57.1 158.4 -85.4 69.8 25.2 37.1 6.3 92 167 A V G > + 0 0 2 -2,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.739 65.2 73.7 -64.2 -23.2 27.9 35.1 8.1 93 168 A D G 3 S+ 0 0 77 1,-0.3 4,-0.3 -3,-0.2 -1,-0.3 0.713 92.2 58.3 -63.1 -18.3 27.9 32.6 5.2 94 169 A L G < S+ 0 0 93 -3,-1.8 -1,-0.3 1,-0.2 3,-0.3 0.512 79.3 90.2 -89.2 -6.5 29.8 35.4 3.3 95 170 A I S X> S+ 0 0 37 -3,-1.7 4,-0.9 1,-0.2 3,-0.8 0.908 82.1 54.8 -56.4 -47.0 32.6 35.6 5.8 96 171 A P G >4 S+ 0 0 34 0, 0.0 2,-1.0 0, 0.0 3,-0.6 0.862 97.5 64.1 -56.3 -39.4 34.8 32.9 4.0 97 172 A K G 34 S+ 0 0 164 -4,-0.3 -2,-0.1 -3,-0.3 3,-0.1 -0.073 117.7 27.6 -78.5 38.8 34.7 34.8 0.7 98 173 A A G <4 S+ 0 0 82 -2,-1.0 2,-0.3 -3,-0.8 -1,-0.2 0.296 116.9 55.3-170.5 -11.0 36.6 37.6 2.5 99 174 A V << - 0 0 46 -4,-0.9 -1,-0.5 -3,-0.6 2,-0.3 -0.993 57.8-176.2-137.6 141.9 38.6 36.0 5.3 100 175 A K + 0 0 144 -2,-0.3 2,-0.1 -3,-0.1 -3,-0.0 -0.871 39.0 41.4-134.2 166.2 41.2 33.2 5.1 101 176 A G S S- 0 0 22 -2,-0.3 32,-2.3 4,-0.1 2,-0.2 -0.465 91.3 -20.9 97.6-169.9 43.3 31.3 7.6 102 177 A K B >> -I 132 0C 93 30,-0.2 4,-1.5 -2,-0.1 3,-1.3 -0.516 51.2-125.2 -82.2 146.6 42.7 29.7 11.0 103 178 A V H >> S+ 0 0 0 28,-2.2 4,-2.5 25,-0.5 3,-0.5 0.926 112.2 59.4 -52.1 -48.2 39.9 30.8 13.3 104 179 A I H 3> S+ 0 0 37 25,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.792 103.7 52.9 -54.7 -26.2 42.4 31.4 16.1 105 180 A E H <> S+ 0 0 114 -3,-1.3 4,-1.4 24,-0.3 -1,-0.2 0.872 109.0 47.7 -76.2 -39.2 44.1 34.0 13.7 106 181 A L H + 0 0 33 36,-0.2 4,-2.7 1,-0.1 5,-0.3 0.113 26.3 119.0-116.1 21.2 38.9 38.2 26.6 116 191 A L H > S+ 0 0 21 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.909 76.3 49.9 -50.7 -50.5 39.8 35.5 24.0 117 192 A E H > S+ 0 0 174 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.869 113.8 46.3 -59.5 -38.4 39.8 32.7 26.6 118 193 A E H > S+ 0 0 90 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.913 113.3 45.9 -71.5 -46.5 36.4 33.8 28.0 119 194 A V H X S+ 0 0 7 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.915 110.7 53.8 -64.9 -42.7 34.6 34.3 24.7 120 195 A V H <>S+ 0 0 10 -4,-2.5 5,-2.4 -5,-0.3 6,-0.5 0.893 109.5 49.5 -59.5 -39.0 35.9 31.0 23.3 121 196 A K H ><5S+ 0 0 155 -4,-1.3 3,-1.7 -5,-0.2 -2,-0.2 0.981 112.0 46.9 -62.9 -55.5 34.5 29.3 26.4 122 197 A A H 3<5S+ 0 0 29 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.865 116.7 42.5 -55.4 -44.2 31.1 30.9 26.1 123 198 A L T 3<5S- 0 0 4 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.238 107.4-120.7 -91.5 15.1 30.7 30.2 22.4 124 199 A E T < 5 + 0 0 48 -3,-1.7 3,-0.3 -4,-0.2 -3,-0.2 0.884 64.5 142.7 49.3 47.4 32.1 26.6 22.5 125 200 A L >>< + 0 0 0 -5,-2.4 3,-2.8 -6,-0.2 4,-1.5 0.460 26.5 110.8 -96.8 -0.2 34.9 27.4 20.1 126 201 A E T 34 S+ 0 0 100 -6,-0.5 4,-0.3 1,-0.3 3,-0.2 0.836 86.0 37.6 -40.7 -47.9 37.6 25.3 21.7 127 202 A N T 34 S+ 0 0 143 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.311 112.0 59.2 -91.5 10.1 37.7 22.8 18.8 128 203 A V T X4 S+ 0 0 5 -3,-2.8 3,-1.6 2,-0.1 -25,-0.5 0.622 80.1 85.2-106.8 -22.1 37.2 25.3 16.0 129 204 A L T 3< S+ 0 0 35 -4,-1.5 -25,-2.5 1,-0.3 -24,-0.3 0.833 94.0 44.1 -48.6 -41.0 40.3 27.5 16.8 130 205 A E T 3 S+ 0 0 136 -4,-0.3 -1,-0.3 -27,-0.2 2,-0.1 0.562 96.1 101.7 -83.3 -9.9 42.5 25.2 14.7 131 206 A R S < S- 0 0 107 -3,-1.6 -28,-2.2 1,-0.1 2,-0.2 -0.398 75.0-115.6 -78.4 151.2 40.1 24.9 11.8 132 207 A E B > -I 102 0C 76 -30,-0.2 3,-1.8 1,-0.1 4,-0.3 -0.605 21.7-121.5 -84.0 149.4 40.3 26.9 8.6 133 208 A I G > S+ 0 0 2 -32,-2.3 3,-1.2 1,-0.3 -1,-0.1 0.826 110.9 61.9 -56.6 -35.6 37.6 29.5 7.7 134 209 A Q G 3 S+ 0 0 122 1,-0.2 -1,-0.3 -33,-0.2 -32,-0.1 0.648 102.3 51.0 -66.7 -19.4 36.8 27.6 4.5 135 210 A H G < S+ 0 0 110 -3,-1.8 -1,-0.2 2,-0.0 -2,-0.2 0.400 84.6 116.2-100.2 1.5 35.8 24.4 6.4 136 211 A L < - 0 0 18 -3,-1.2 2,-0.1 -4,-0.3 -3,-0.0 -0.465 59.3-131.6 -77.4 144.5 33.4 26.1 8.8 137 212 A S > - 0 0 57 -2,-0.2 4,-2.9 1,-0.1 5,-0.2 -0.325 33.6-100.6 -82.2 168.8 29.7 25.2 8.9 138 213 A G H > S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.914 126.8 51.7 -57.3 -41.3 27.1 28.0 8.9 139 214 A G H > S+ 0 0 13 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.895 110.6 44.9 -62.5 -43.5 26.8 27.3 12.7 140 215 A E H > S+ 0 0 29 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.886 111.6 54.0 -70.7 -35.9 30.6 27.6 13.3 141 216 A L H X S+ 0 0 7 -4,-2.9 4,-2.4 2,-0.2 -2,-0.2 0.897 108.2 50.9 -62.2 -39.0 30.7 30.8 11.1 142 217 A Q H X S+ 0 0 0 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.947 112.4 44.8 -64.4 -47.2 27.9 32.3 13.2 143 218 A R H X S+ 0 0 21 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.874 113.0 50.6 -67.5 -36.0 29.7 31.6 16.5 144 219 A V H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.903 111.4 49.4 -66.7 -40.2 33.1 32.8 15.2 145 220 A A H X S+ 0 0 12 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.906 110.5 48.8 -65.5 -43.1 31.4 36.0 14.0 146 221 A I H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.937 112.3 50.3 -62.5 -41.7 29.7 36.6 17.4 147 222 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.914 107.4 53.2 -60.8 -44.3 33.1 36.0 19.1 148 223 A A H X S+ 0 0 22 -4,-2.5 4,-0.7 1,-0.2 -1,-0.2 0.902 112.6 44.7 -58.0 -42.1 35.0 38.5 16.8 149 224 A A H >< S+ 0 0 6 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.927 111.3 52.1 -69.2 -44.9 32.4 41.2 17.7 150 225 A L H 3< S+ 0 0 5 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.786 106.2 56.7 -62.9 -26.9 32.5 40.4 21.4 151 226 A L H 3< S+ 0 0 0 -4,-1.8 -39,-2.2 -5,-0.2 -38,-0.6 0.660 87.0 96.5 -80.2 -18.4 36.3 40.6 21.4 152 227 A R S << S- 0 0 86 -3,-1.0 2,-0.7 -4,-0.7 -41,-0.1 -0.305 73.3-128.7 -71.5 156.2 36.5 44.2 20.0 153 228 A N + 0 0 102 -43,-0.1 2,-0.3 -2,-0.0 -2,-0.1 -0.915 57.5 116.1-109.7 106.0 36.9 47.2 22.3 154 229 A A - 0 0 22 -2,-0.7 3,-0.1 1,-0.1 -71,-0.1 -0.864 65.0-120.9-152.9-175.4 34.2 49.7 21.4 155 230 A T S S+ 0 0 60 -2,-0.3 32,-2.8 1,-0.2 2,-0.5 0.771 94.6 51.4-105.3 -36.0 31.1 51.5 22.8 156 231 A F E - g 0 187B 13 30,-0.2 -70,-3.1 -133,-0.1 2,-0.4 -0.902 60.1-179.7-111.4 127.4 28.5 50.4 20.3 157 232 A Y E -fg 86 188B 0 30,-2.3 32,-2.3 -2,-0.5 2,-0.5 -0.987 5.5-168.7-126.5 122.8 27.9 46.7 19.3 158 233 A F E -fg 87 189B 1 -72,-3.6 -70,-3.1 -2,-0.4 2,-0.6 -0.953 1.0-168.0-116.8 122.0 25.2 45.7 16.7 159 234 A F E -fg 88 190B 2 30,-2.8 32,-2.5 -2,-0.5 2,-0.9 -0.925 6.9-158.6-111.0 112.2 24.3 42.0 16.3 160 235 A D E S- g 0 191B 8 -72,-2.5 32,-0.1 -2,-0.6 30,-0.1 -0.811 71.6 -30.8 -97.3 105.1 22.2 41.2 13.2 161 236 A E S > S+ 0 0 10 30,-1.8 3,-1.1 -2,-0.9 -1,-0.2 0.919 71.8 173.7 55.7 58.4 20.3 37.9 13.7 162 237 A P T 3 + 0 0 5 0, 0.0 -16,-0.1 0, 0.0 30,-0.1 0.754 67.0 65.8 -67.3 -24.7 22.8 36.1 15.9 163 238 A S T > S+ 0 0 3 2,-0.1 3,-2.2 31,-0.0 8,-0.1 0.682 70.1 117.6 -74.0 -15.8 20.7 33.0 16.6 164 239 A S T < S+ 0 0 37 -3,-1.1 3,-0.1 1,-0.3 -22,-0.0 -0.267 88.0 4.9 -53.7 132.9 20.6 31.8 12.9 165 240 A Y T 3 S+ 0 0 86 1,-0.2 2,-0.3 -23,-0.1 -1,-0.3 0.424 103.6 121.7 72.7 0.4 22.3 28.3 12.7 166 241 A L < - 0 0 2 -3,-2.2 -1,-0.2 1,-0.1 271,-0.1 -0.737 60.5-127.1 -96.5 143.6 22.7 28.0 16.4 167 242 A D > - 0 0 2 -2,-0.3 4,-2.5 -3,-0.1 5,-0.3 -0.243 39.5 -90.3 -77.5 176.2 21.2 25.2 18.5 168 243 A I H > S+ 0 0 1 128,-0.4 4,-1.4 1,-0.2 5,-0.1 0.861 126.5 43.7 -56.0 -39.4 19.1 26.0 21.5 169 244 A R H > S+ 0 0 56 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.927 113.2 51.3 -72.0 -45.8 22.0 26.0 24.0 170 245 A Q H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.867 110.1 48.2 -61.5 -37.6 24.3 28.0 21.8 171 246 A R H X S+ 0 0 16 -4,-2.5 4,-1.6 2,-0.2 -1,-0.2 0.875 113.9 45.5 -76.3 -32.9 21.8 30.8 21.1 172 247 A L H X S+ 0 0 0 -4,-1.4 4,-1.7 -5,-0.3 -2,-0.2 0.882 114.7 48.3 -76.1 -35.3 20.8 31.2 24.7 173 248 A N H X S+ 0 0 35 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.857 111.4 50.5 -70.8 -35.9 24.5 31.2 25.8 174 249 A A H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.887 107.1 54.9 -67.4 -35.0 25.4 33.7 23.1 175 250 A A H X S+ 0 0 2 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.914 107.3 49.7 -64.1 -40.4 22.6 35.9 24.3 176 251 A R H X S+ 0 0 34 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.941 112.2 47.9 -62.0 -46.3 24.0 35.8 27.8 177 252 A A H X S+ 0 0 11 -4,-2.1 4,-0.5 1,-0.2 -2,-0.2 0.876 113.7 47.2 -62.4 -38.0 27.5 36.8 26.4 178 253 A I H >X S+ 0 0 1 -4,-2.5 3,-1.3 1,-0.2 4,-0.6 0.925 109.6 52.4 -69.6 -45.1 26.0 39.6 24.3 179 254 A R H >X S+ 0 0 34 -4,-2.8 4,-1.1 1,-0.3 3,-1.0 0.833 96.5 69.4 -61.9 -31.9 23.9 41.0 27.2 180 255 A R H 3X S+ 0 0 90 -4,-1.7 4,-1.4 1,-0.3 -1,-0.3 0.822 86.9 67.9 -56.4 -31.5 27.0 41.1 29.4 181 256 A L H X<>S+ 0 0 1 -3,-1.3 5,-2.3 -4,-0.5 3,-0.6 0.921 98.9 48.9 -54.8 -43.9 28.3 43.9 27.1 182 257 A S H X<5S+ 0 0 8 -3,-1.0 3,-1.5 -4,-0.6 -1,-0.2 0.809 104.4 59.5 -67.3 -28.2 25.5 46.2 28.5 183 258 A E H 3<5S+ 0 0 133 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.819 101.4 55.1 -68.1 -29.3 26.4 45.3 32.0 184 259 A E T <<5S- 0 0 97 -4,-1.4 -1,-0.3 -3,-0.6 -2,-0.2 0.238 130.2 -99.9 -84.7 10.6 29.9 46.7 31.3 185 260 A G T < 5S+ 0 0 36 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.520 80.5 134.2 83.8 5.3 28.2 49.9 30.3 186 261 A K < - 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0 0 1 -5,-0.9 2,-0.4 16,-0.1 -1,-0.3 -0.961 41.6-159.4-121.8 141.7 18.2 30.4 32.5 482 557 A T - 0 0 0 13,-0.5 13,-2.6 -2,-0.4 2,-0.4 -0.923 3.4-160.1-124.0 151.3 14.6 30.5 33.9 483 558 A F E -Vw 494 512I 0 28,-2.5 30,-1.8 -2,-0.4 11,-0.2 -0.976 7.1-177.9-126.3 138.6 11.3 31.4 32.4 484 559 A R E -V 493 0I 52 9,-3.1 9,-3.6 -2,-0.4 2,-0.3 -0.488 37.1 -88.9-116.0-166.0 8.1 32.4 34.1 485 560 A R E -V 492 0I 40 7,-0.3 6,-0.1 -2,-0.2 29,-0.1 -0.798 20.5-141.4-110.8 147.3 4.8 33.1 32.5 486 561 A D >> - 0 0 0 5,-2.0 4,-2.9 -2,-0.3 3,-0.7 -0.942 10.3-159.3-108.5 112.8 3.4 36.3 31.1 487 562 A P T 34 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -236,-0.1 0.817 83.5 65.8 -57.1 -37.9 -0.4 36.6 31.9 488 563 A D T 34 S+ 0 0 91 1,-0.2 -237,-0.1 3,-0.1 -2,-0.0 0.850 127.7 3.7 -59.8 -37.1 -1.1 39.1 29.2 489 564 A T T <4 S- 0 0 0 -3,-0.7 -239,-3.6 2,-0.1 -238,-0.7 0.475 94.1-121.9-123.7 -13.5 -0.3 36.8 26.3 490 565 A G < + 0 0 6 -4,-2.9 -238,-0.2 1,-0.3 -241,-0.1 0.464 62.9 143.6 83.6 2.2 0.4 33.6 28.0 491 566 A R - 0 0 2 -5,-0.3 -5,-2.0 1,-0.1 -1,-0.3 -0.326 61.5 -97.7 -74.4 154.4 3.9 33.4 26.5 492 567 A P E -V 485 0I 0 0, 0.0 2,-0.5 0, 0.0 -7,-0.3 -0.485 42.5-150.1 -68.5 144.3 6.9 32.1 28.4 493 568 A R E -V 484 0I 51 -9,-3.6 -9,-3.1 -2,-0.1 2,-0.2 -0.976 6.4-130.6-124.2 124.2 8.8 35.1 29.8 494 569 A A E -V 483 0I 6 -2,-0.5 2,-0.4 -11,-0.2 -11,-0.2 -0.489 14.2-140.6 -75.6 135.4 12.6 35.1 30.4 495 570 A N - 0 0 3 -13,-2.6 -13,-0.5 -2,-0.2 3,-0.1 -0.787 23.1-118.7 -93.4 135.4 14.0 36.2 33.7 496 571 A K > - 0 0 43 -2,-0.4 3,-1.6 1,-0.1 6,-0.3 -0.372 44.8 -84.7 -67.1 153.0 17.2 38.3 33.6 497 572 A E T 3 S+ 0 0 92 1,-0.2 -1,-0.1 -297,-0.2 -16,-0.1 -0.357 112.7 9.5 -59.1 131.9 20.2 36.7 35.3 498 573 A G T 3 S+ 0 0 20 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.364 91.8 139.1 80.8 -7.5 20.2 37.5 39.0 499 574 A S <> - 0 0 40 -3,-1.6 4,-2.8 1,-0.1 -1,-0.2 -0.193 68.8-104.2 -66.6 165.2 16.7 39.0 39.2 500 575 A V H > S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.956 123.4 45.6 -53.8 -55.2 14.4 38.2 42.1 501 576 A K H > S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.905 111.2 54.4 -58.0 -39.7 12.3 35.8 40.0 502 577 A D H > S+ 0 0 2 -6,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.943 110.8 44.5 -60.1 -47.1 15.4 34.2 38.7 503 578 A R H X S+ 0 0 167 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.921 113.0 51.4 -62.3 -46.2 16.8 33.5 42.2 504 579 A E H X S+ 0 0 80 -4,-2.6 4,-1.5 -5,-0.2 6,-0.2 0.914 112.8 44.9 -57.0 -48.7 13.5 32.2 43.5 505 580 A Q H X>S+ 0 0 1 -4,-2.6 5,-2.1 -5,-0.2 4,-0.9 0.877 113.5 49.7 -65.8 -39.2 13.1 29.8 40.6 506 581 A K H <5S+ 0 0 56 -4,-2.2 3,-0.5 -5,-0.3 -2,-0.2 0.909 108.8 52.1 -68.2 -39.4 16.6 28.6 40.7 507 582 A E H <5S+ 0 0 173 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.841 115.6 41.6 -66.2 -32.2 16.4 28.0 44.5 508 583 A K H <5S- 0 0 113 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.546 108.7-122.8 -90.7 -8.6 13.3 25.9 44.0 509 584 A G T <5 + 0 0 34 -4,-0.9 2,-1.0 -3,-0.5 -3,-0.2 0.721 70.0 133.2 74.6 18.4 14.5 24.1 40.9 510 585 A E < + 0 0 75 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.778 19.7 162.2-105.4 88.1 11.5 25.4 38.9 511 586 A Y + 0 0 43 -2,-1.0 -28,-2.5 1,-0.2 2,-0.4 0.620 63.2 40.0 -81.9 -13.7 13.2 26.6 35.7 512 587 A Y B -w 483 0I 0 -30,-0.2 -1,-0.2 -3,-0.1 2,-0.2 -0.890 68.4-157.1-146.1 113.2 10.0 26.7 33.6 513 588 A Y + 0 0 49 -30,-1.8 -20,-0.1 -2,-0.4 -2,-0.0 -0.548 28.9 155.0 -91.2 152.5 6.6 27.8 34.5 514 589 A I 0 0 31 1,-0.5 -261,-0.2 -2,-0.2 -1,-0.2 0.349 360.0 360.0-136.1 -32.7 3.3 26.8 32.9 515 590 A A 0 0 134 -261,-0.0 -1,-0.5 -262,-0.0 -30,-0.1 -0.774 360.0 360.0-138.2 360.0 1.2 27.4 36.0