==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 26-JAN-10 3LJG . COMPND 2 MOLECULE: MACROPHAGE METALLOELASTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.A.STURA,V.DIVE,L.DEVEL,L.VERA,F.BEAU . 159 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 52.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 2.5 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 . 10 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 105 A M 0 0 179 0, 0.0 3,-0.1 0, 0.0 120,-0.0 0.000 360.0 360.0 360.0 118.4 1.1 18.9 -15.3 2 106 A G - 0 0 47 119,-0.3 120,-0.0 1,-0.2 121,-0.0 -0.000 360.0 -49.6 -76.2-172.3 4.7 18.8 -14.0 3 107 A P - 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.284 56.0-173.7 -66.0 145.9 6.9 15.7 -13.8 4 108 A V - 0 0 46 78,-0.1 2,-0.2 -3,-0.1 117,-0.1 -0.918 34.2 -95.4-129.4 158.7 5.7 12.5 -12.1 5 109 A W - 0 0 25 115,-0.3 5,-0.0 -2,-0.3 115,-0.0 -0.564 28.3-145.7 -66.5 139.1 7.2 9.2 -11.2 6 110 A R S S+ 0 0 243 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.088 78.2 53.7-101.4 33.6 6.6 6.7 -14.0 7 111 A K S S- 0 0 93 1,-0.0 -2,-0.1 0, 0.0 36,-0.0 -0.962 71.7-137.3-155.7 162.0 6.3 3.8 -11.6 8 112 A H S S+ 0 0 97 -2,-0.3 36,-2.6 35,-0.1 2,-0.6 0.451 84.6 77.3-107.6 -2.1 4.2 3.0 -8.5 9 113 A Y E +a 44 0A 128 34,-0.2 2,-0.4 36,-0.0 36,-0.2 -0.952 61.8 175.5-108.9 116.6 7.0 1.4 -6.4 10 114 A I E -a 45 0A 0 34,-2.8 36,-1.6 -2,-0.6 2,-0.3 -0.970 14.9-152.7-127.4 128.8 9.2 4.1 -5.0 11 115 A T E -a 46 0A 11 -2,-0.4 44,-2.5 34,-0.2 43,-0.7 -0.720 8.3-167.4-100.2 155.1 12.1 3.7 -2.5 12 116 A Y E -ab 47 55A 9 34,-2.2 36,-2.7 -2,-0.3 2,-0.4 -0.955 3.1-164.2-133.1 155.0 13.5 6.1 -0.0 13 117 A R E - b 0 56A 66 42,-2.1 44,-3.0 -2,-0.3 2,-0.9 -0.998 21.0-133.4-138.7 138.6 16.6 6.2 2.1 14 118 A I E - b 0 57A 14 34,-0.4 44,-0.2 -2,-0.4 3,-0.1 -0.819 20.6-170.1 -90.5 104.9 17.5 8.3 5.1 15 119 A N - 0 0 79 42,-2.6 2,-0.3 -2,-0.9 43,-0.2 0.843 65.7 -11.2 -64.1 -40.0 21.0 9.6 4.3 16 120 A N - 0 0 50 41,-0.7 2,-0.4 -3,-0.1 -1,-0.2 -0.970 67.7-117.2-158.7 166.1 21.7 11.0 7.7 17 121 A Y - 0 0 47 -2,-0.3 6,-0.1 -3,-0.1 41,-0.0 -0.934 21.3-122.1-120.3 132.3 19.9 11.9 11.0 18 122 A T > - 0 0 3 -2,-0.4 3,-0.9 1,-0.1 8,-0.1 -0.438 16.8-139.6 -61.7 138.3 19.4 15.1 12.8 19 123 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.554 92.7 82.8 -76.4 -4.3 20.8 15.1 16.3 20 124 A D T 3 S+ 0 0 43 77,-0.1 2,-0.3 2,-0.1 78,-0.0 0.744 96.7 34.1 -65.9 -26.0 17.7 17.0 17.4 21 125 A M S < S- 0 0 22 -3,-0.9 2,-0.1 79,-0.1 79,-0.1 -0.853 92.6 -89.7-130.9 159.0 15.7 13.8 17.7 22 126 A N > - 0 0 105 -2,-0.3 4,-1.7 1,-0.1 3,-0.5 -0.457 40.0-123.2 -60.9 141.4 15.9 10.1 18.5 23 127 A R H > S+ 0 0 139 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.894 113.1 54.3 -56.7 -41.0 16.8 8.0 15.5 24 128 A E H > S+ 0 0 128 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.856 105.9 52.9 -61.9 -34.6 13.7 5.9 16.0 25 129 A D H > S+ 0 0 62 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.844 107.8 50.6 -73.1 -32.7 11.6 9.1 16.0 26 130 A V H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.951 110.6 48.9 -66.7 -50.5 13.0 10.3 12.7 27 131 A D H X S+ 0 0 41 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.914 113.3 48.2 -52.3 -45.2 12.3 6.9 11.1 28 132 A Y H X S+ 0 0 127 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.924 110.4 49.7 -65.7 -46.0 8.8 7.0 12.4 29 133 A A H X S+ 0 0 9 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.930 114.4 45.2 -58.5 -46.2 8.1 10.6 11.3 30 134 A I H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.930 113.2 48.7 -67.1 -45.3 9.3 9.8 7.8 31 135 A R H X S+ 0 0 118 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.921 112.8 48.4 -60.8 -42.6 7.5 6.5 7.4 32 136 A K H X S+ 0 0 60 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.874 108.3 55.2 -66.9 -35.6 4.2 8.1 8.6 33 137 A A H X S+ 0 0 0 -4,-2.1 4,-0.9 -5,-0.2 -1,-0.2 0.915 108.7 46.8 -62.7 -42.3 4.7 11.0 6.2 34 138 A F H >X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 3,-0.5 0.892 107.5 58.6 -63.3 -38.5 5.0 8.6 3.2 35 139 A Q H 3X S+ 0 0 65 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.848 95.6 62.9 -61.6 -36.3 1.9 6.7 4.5 36 140 A V H 3< S+ 0 0 24 -4,-1.6 -1,-0.2 1,-0.2 4,-0.2 0.920 111.8 36.9 -52.2 -44.4 -0.2 9.9 4.3 37 141 A W H X< S+ 0 0 0 -4,-0.9 3,-1.2 -3,-0.5 4,-0.3 0.846 112.6 56.5 -81.1 -34.9 0.4 10.0 0.5 38 142 A S H >< S+ 0 0 35 -4,-2.4 3,-1.1 1,-0.2 -2,-0.2 0.860 97.3 66.9 -63.3 -32.3 0.2 6.2 -0.0 39 143 A N T 3< S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.647 110.4 32.7 -62.8 -18.2 -3.2 6.2 1.6 40 144 A V T < S+ 0 0 32 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.2 0.236 118.8 47.1-126.1 12.1 -4.7 8.2 -1.3 41 145 A T S < S- 0 0 22 -3,-1.1 118,-0.1 -4,-0.3 114,-0.1 -0.871 85.2-106.5-138.9 174.8 -2.7 7.0 -4.3 42 146 A P S S+ 0 0 55 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.429 80.9 120.4 -79.3 0.1 -1.5 3.7 -5.9 43 147 A L - 0 0 3 -6,-0.2 2,-0.4 -34,-0.1 -2,-0.2 -0.406 44.7-165.9 -73.9 141.3 2.0 4.5 -4.7 44 148 A K E -a 9 0A 153 -36,-2.6 -34,-2.8 -2,-0.1 2,-0.4 -0.971 4.2-158.0-124.1 142.5 4.0 2.3 -2.4 45 149 A F E -a 10 0A 33 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.971 6.9-173.0-123.8 133.2 7.1 3.4 -0.5 46 150 A S E -a 11 0A 49 -36,-1.6 -34,-2.2 -2,-0.4 2,-0.4 -0.991 20.9-131.4-127.9 133.2 9.8 1.2 0.9 47 151 A K E -a 12 0A 71 -2,-0.4 2,-0.4 -36,-0.2 -34,-0.2 -0.649 24.1-171.3 -76.7 129.3 12.8 2.3 3.1 48 152 A I - 0 0 39 -36,-2.7 -34,-0.4 -2,-0.4 3,-0.1 -0.960 20.3-162.5-121.8 147.0 16.2 1.0 2.0 49 153 A N S S+ 0 0 125 -2,-0.4 2,-0.3 1,-0.2 -36,-0.1 0.405 81.6 19.4-101.8 -5.7 19.4 1.3 4.0 50 154 A T S S+ 0 0 117 2,-0.0 2,-0.2 0, 0.0 -1,-0.2 -0.960 97.1 47.0-155.9 159.9 21.6 0.6 1.0 51 155 A G S S- 0 0 55 -2,-0.3 2,-0.7 -3,-0.1 -3,-0.0 -0.647 98.9 -37.9 102.3-157.3 21.3 0.6 -2.8 52 156 A M - 0 0 174 -2,-0.2 -41,-0.1 -40,-0.0 2,-0.1 -0.821 58.8-166.7-115.3 91.9 19.8 3.4 -5.0 53 157 A A - 0 0 21 -2,-0.7 3,-0.2 1,-0.1 -41,-0.2 -0.415 21.0-140.6 -74.2 149.2 16.8 5.0 -3.5 54 158 A D S S+ 0 0 29 -43,-0.7 2,-0.7 1,-0.2 -42,-0.2 0.921 94.2 39.9 -69.2 -46.6 14.5 7.2 -5.5 55 159 A I E S-b 12 0A 0 -44,-2.5 -42,-2.1 35,-0.1 2,-0.5 -0.913 73.7-162.9-111.9 108.6 14.0 9.7 -2.7 56 160 A L E -b 13 0A 35 -2,-0.7 35,-2.6 -44,-0.2 2,-0.5 -0.803 8.7-150.5 -88.8 129.1 17.0 10.6 -0.6 57 161 A V E +bc 14 91A 3 -44,-3.0 -42,-2.6 -2,-0.5 -41,-0.7 -0.898 23.9 177.8-100.1 121.8 16.1 12.2 2.8 58 162 A V E - c 0 92A 18 33,-2.7 35,-3.0 -2,-0.5 2,-0.5 -0.969 27.6-155.1-131.0 139.7 18.9 14.5 3.9 59 163 A F E + c 0 93A 7 -2,-0.4 2,-0.3 33,-0.2 35,-0.2 -0.973 37.3 153.0-107.4 126.2 19.5 16.9 6.9 60 164 A A E - c 0 94A 20 33,-2.5 35,-2.8 -2,-0.5 36,-0.4 -0.943 34.3-121.7-152.1 171.1 22.0 19.6 5.9 61 165 A R - 0 0 177 -2,-0.3 33,-0.1 33,-0.2 -2,-0.0 -0.897 56.2 -44.2-125.2 140.0 23.1 23.2 6.7 62 166 A G S S+ 0 0 18 -2,-0.4 8,-2.6 7,-0.1 2,-0.7 -0.059 122.8 13.3 50.8-131.6 23.4 26.4 4.7 63 167 A A S S+ 0 0 92 6,-0.3 -2,-0.2 1,-0.1 4,-0.1 -0.725 75.8 168.3 -78.6 115.4 25.0 25.9 1.3 64 168 A H - 0 0 41 -2,-0.7 -1,-0.1 2,-0.2 3,-0.1 -0.026 62.0 -71.4-131.1 29.6 24.9 22.2 1.0 65 169 A G S S+ 0 0 83 1,-0.4 2,-0.2 0, 0.0 -2,-0.1 0.505 105.4 73.9 101.7 4.3 25.8 21.3 -2.6 66 170 A D S S- 0 0 33 0, 0.0 -1,-0.4 0, 0.0 -2,-0.2 -0.728 90.5 -95.7-133.6-173.2 22.8 22.4 -4.6 67 171 A D S S+ 0 0 158 -2,-0.2 2,-0.1 1,-0.2 -4,-0.0 0.143 106.0 76.7 -95.5 23.3 21.2 25.7 -5.8 68 172 A H - 0 0 93 -6,-0.1 -1,-0.2 11,-0.0 11,-0.0 -0.471 68.7-174.3-130.0 59.5 18.8 25.9 -2.9 69 173 A A - 0 0 53 -3,-0.2 -6,-0.3 1,-0.1 -7,-0.1 -0.206 22.0-121.5 -56.9 144.3 21.0 27.0 0.0 70 174 A F - 0 0 15 -8,-2.6 -1,-0.1 1,-0.1 3,-0.1 -0.302 9.7-139.9 -83.7 175.7 19.4 27.2 3.4 71 175 A D - 0 0 81 1,-0.5 -1,-0.1 5,-0.4 2,-0.1 0.069 39.7-103.0-132.5 22.5 19.2 30.3 5.6 72 176 A G S S- 0 0 18 3,-0.0 -1,-0.5 4,-0.0 24,-0.1 -0.283 79.8 -7.0 77.6-170.5 19.9 29.4 9.2 73 177 A K S S+ 0 0 159 23,-0.1 24,-0.2 -3,-0.1 2,-0.1 -0.301 120.6 6.8 -62.1 136.4 17.2 29.1 11.9 74 178 A G S S+ 0 0 28 1,-0.2 -3,-0.3 2,-0.1 2,-0.1 -0.340 98.5 64.5 87.2-172.0 13.7 30.1 10.6 75 179 A G S S+ 0 0 68 -2,-0.1 2,-0.2 -5,-0.1 -1,-0.2 -0.357 103.8 29.1 60.5-128.8 12.7 31.1 7.1 76 180 A I - 0 0 74 1,-0.2 -5,-0.4 -2,-0.1 3,-0.1 -0.459 62.3-177.6 -62.9 129.6 13.1 28.1 4.8 77 181 A L - 0 0 33 1,-0.4 17,-2.5 -2,-0.2 2,-0.3 0.752 62.3 -27.4 -98.1 -29.3 12.6 24.8 6.7 78 182 A A E -D 93 0A 11 15,-0.3 -1,-0.4 -19,-0.0 2,-0.3 -0.958 53.5-153.9-172.5 165.1 13.2 22.3 3.9 79 183 A H E -D 92 0A 25 13,-2.3 13,-3.2 -2,-0.3 2,-0.3 -0.976 7.4-161.3-152.8 161.9 13.0 21.9 0.1 80 184 A A E -D 91 0A 19 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.996 17.5-123.5-147.9 148.2 12.6 19.0 -2.3 81 185 A F - 0 0 30 9,-2.4 3,-0.1 6,-0.3 40,-0.1 -0.679 32.5-116.1 -89.4 142.9 13.2 18.2 -5.9 82 186 A G - 0 0 33 -2,-0.3 7,-1.6 1,-0.2 8,-0.2 -0.196 56.7 -55.4 -68.7 170.6 10.3 17.0 -8.1 83 187 A P S S+ 0 0 12 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.114 86.9 100.9 -52.0 139.6 10.4 13.5 -9.7 84 188 A G S S- 0 0 35 4,-0.2 2,-0.0 -3,-0.1 -3,-0.0 -0.902 70.1 -63.0 160.3 172.1 13.4 12.7 -11.8 85 189 A S S > S- 0 0 116 -2,-0.3 3,-2.3 2,-0.1 2,-0.2 -0.308 97.9 -0.8 -77.8 165.5 16.7 10.8 -11.7 86 190 A G T 3 S+ 0 0 66 1,-0.3 4,-0.1 3,-0.1 -2,-0.1 -0.368 142.3 9.5 62.9-120.6 19.6 11.6 -9.4 87 191 A I T > S+ 0 0 103 -2,-0.2 3,-2.2 2,-0.1 -6,-0.3 0.722 104.4 115.1 -66.5 -18.4 18.8 14.6 -7.2 88 192 A G T < S+ 0 0 8 -3,-2.3 -32,-0.2 1,-0.3 -4,-0.2 -0.204 81.9 13.3 -50.8 139.4 15.2 14.4 -8.5 89 193 A G T 3 S+ 0 0 0 -7,-1.6 -1,-0.3 1,-0.2 30,-0.1 0.229 91.9 139.2 80.5 -17.1 12.8 13.5 -5.7 90 194 A D < - 0 0 15 -3,-2.2 -9,-2.4 -8,-0.2 2,-0.5 -0.348 41.0-148.9 -72.4 146.8 15.3 14.2 -2.9 91 195 A A E -cD 57 80A 1 -35,-2.6 -33,-2.7 -11,-0.2 2,-0.4 -0.964 10.0-165.5-120.4 121.6 14.1 16.0 0.2 92 196 A H E -cD 58 79A 17 -13,-3.2 -13,-2.3 -2,-0.5 2,-0.4 -0.917 2.4-160.3-114.6 131.0 16.4 18.2 2.2 93 197 A F E -cD 59 78A 2 -35,-3.0 -33,-2.5 -2,-0.4 2,-0.7 -0.919 25.5-117.5-113.4 133.9 15.7 19.5 5.8 94 198 A D E > -c 60 0A 0 -17,-2.5 3,-2.1 -2,-0.4 -33,-0.2 -0.582 16.8-157.8 -77.1 112.1 17.5 22.5 7.2 95 199 A E T 3 S+ 0 0 39 -35,-2.8 -1,-0.2 -2,-0.7 -34,-0.2 0.690 86.7 75.6 -64.8 -17.4 19.5 21.3 10.2 96 200 A D T 3 S+ 0 0 68 -36,-0.4 -1,-0.3 -24,-0.1 2,-0.2 0.628 85.2 80.5 -71.5 -8.7 19.5 24.9 11.5 97 201 A E S < S- 0 0 6 -3,-2.1 2,-0.8 -20,-0.2 -77,-0.1 -0.528 90.7-118.3 -82.6 162.1 15.9 24.2 12.5 98 202 A F - 0 0 103 -2,-0.2 8,-3.0 -78,-0.0 2,-0.2 -0.883 32.1-150.8-104.0 103.2 15.1 22.3 15.7 99 203 A W E +e 106 0B 1 -2,-0.8 2,-0.3 6,-0.2 8,-0.2 -0.533 22.3 174.2 -78.4 134.4 13.3 19.2 14.5 100 204 A T E -e 107 0B 3 6,-2.3 8,-2.4 -2,-0.2 9,-0.5 -0.870 45.9-132.0-136.0 171.3 10.7 17.6 16.9 101 205 A T S S+ 0 0 75 -2,-0.3 2,-0.1 6,-0.2 6,-0.1 0.344 94.6 37.3 -93.0 1.7 8.0 15.0 17.3 102 206 A H S S- 0 0 91 2,-0.3 -2,-0.2 4,-0.1 7,-0.1 -0.367 106.3 -66.2-138.6-154.6 5.7 17.6 18.8 103 207 A S S S+ 0 0 77 -2,-0.1 35,-0.2 3,-0.1 4,-0.2 0.651 98.1 87.7 -88.1 -18.6 4.5 21.2 18.7 104 208 A G S S- 0 0 27 2,-0.1 -2,-0.3 -5,-0.0 -4,-0.1 -0.370 96.6 -7.1 -76.7 162.7 7.8 22.8 19.7 105 209 A G S S- 0 0 45 -6,-0.1 2,-0.5 1,-0.1 -6,-0.2 -0.217 123.3 -31.7 50.7-133.7 10.5 23.8 17.2 106 210 A T E -e 99 0B 11 -8,-3.0 -6,-2.3 31,-0.0 2,-0.4 -0.970 64.0-126.0-120.7 120.3 9.6 22.5 13.8 107 211 A N E > -e 100 0B 1 -2,-0.5 4,-1.9 -8,-0.2 5,-0.2 -0.490 14.7-156.2 -66.9 121.9 7.6 19.2 13.6 108 212 A L H > S+ 0 0 0 -8,-2.4 4,-3.0 -2,-0.4 5,-0.2 0.913 88.4 54.2 -66.7 -45.4 9.4 16.8 11.3 109 213 A F H > S+ 0 0 26 -9,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.949 111.0 44.3 -53.7 -53.6 6.4 14.7 10.3 110 214 A L H > S+ 0 0 12 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.919 115.2 48.3 -61.8 -43.2 4.3 17.7 9.1 111 215 A T H X S+ 0 0 7 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.912 110.5 52.4 -63.0 -40.6 7.3 19.2 7.2 112 216 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.863 104.2 55.4 -65.9 -35.8 8.0 15.8 5.7 113 217 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.965 111.9 44.5 -59.4 -48.3 4.4 15.4 4.4 114 218 A H H X S+ 0 0 25 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.939 115.6 46.8 -58.9 -48.1 4.8 18.8 2.6 115 219 A E H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.918 109.5 52.2 -67.1 -40.8 8.2 18.0 1.2 116 220 A I H X S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.874 102.2 62.4 -63.4 -34.5 7.2 14.5 0.0 117 221 A G H X>S+ 0 0 0 -4,-1.9 5,-2.9 -5,-0.3 4,-0.5 0.950 107.4 43.0 -48.9 -50.3 4.3 16.3 -1.7 118 222 A H H ><5S+ 0 0 31 -4,-1.6 3,-1.3 3,-0.2 -2,-0.2 0.909 109.0 57.1 -62.6 -43.4 7.0 18.1 -3.7 119 223 A S H 3<5S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.756 108.8 48.2 -60.2 -24.8 9.0 14.9 -4.2 120 224 A L H 3<5S- 0 0 0 -4,-1.7 -115,-0.3 -3,-0.4 -1,-0.3 0.502 131.9 -92.1 -93.8 -9.0 5.9 13.4 -5.8 121 225 A G T <<5S+ 0 0 21 -3,-1.3 -119,-0.3 -4,-0.5 -3,-0.2 0.465 77.3 136.6 116.7 2.9 5.4 16.4 -8.1 122 226 A L < - 0 0 22 -5,-2.9 -1,-0.3 -6,-0.2 2,-0.2 -0.555 34.1-157.7 -80.9 144.4 3.0 18.8 -6.2 123 227 A G - 0 0 50 -2,-0.2 -1,-0.0 1,-0.2 2,-0.0 -0.398 42.4 -60.9 -98.4-171.9 3.6 22.5 -6.1 124 228 A H - 0 0 106 -2,-0.2 2,-0.3 1,-0.0 9,-0.2 -0.327 47.3-142.2 -73.4 156.9 2.2 24.9 -3.5 125 229 A S - 0 0 15 7,-1.7 -1,-0.0 2,-0.1 25,-0.0 -0.844 13.0-147.0-115.1 151.3 -1.5 25.4 -2.8 126 230 A S + 0 0 114 -2,-0.3 7,-0.1 7,-0.1 -1,-0.1 0.399 69.4 111.6 -96.1 3.0 -3.3 28.6 -2.0 127 231 A D > - 0 0 41 1,-0.2 3,-2.1 2,-0.0 6,-0.2 -0.662 64.5-147.8 -75.4 116.0 -5.8 26.6 0.1 128 232 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.703 97.2 52.8 -62.6 -16.7 -5.1 27.6 3.7 129 233 A K T 3 S+ 0 0 158 3,-0.0 2,-0.2 17,-0.0 18,-0.1 0.544 88.4 106.5 -91.5 -8.8 -6.0 24.1 4.9 130 234 A A X - 0 0 7 -3,-2.1 3,-1.7 1,-0.1 -5,-0.1 -0.459 69.1-140.8 -77.6 140.9 -3.6 22.3 2.5 131 235 A V T 3 S+ 0 0 22 1,-0.3 -1,-0.1 -2,-0.2 -17,-0.1 0.784 106.5 62.0 -64.9 -24.6 -0.4 20.7 3.7 132 236 A M T 3 S+ 0 0 3 -5,-0.1 -7,-1.7 -8,-0.1 -1,-0.3 0.342 74.1 124.7 -82.7 6.7 1.0 22.2 0.5 133 237 A F S < S- 0 0 64 -3,-1.7 -7,-0.1 -9,-0.2 -19,-0.0 -0.348 74.6-115.2 -60.6 150.3 0.3 25.7 1.6 134 238 A P S S+ 0 0 71 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.743 90.4 61.3 -70.1 -22.7 3.6 27.7 1.5 135 239 A T S S- 0 0 102 2,-0.0 2,-0.3 0, 0.0 -2,-0.1 -0.854 75.8-127.4-115.6 143.9 3.9 28.3 5.3 136 240 A Y + 0 0 75 -2,-0.4 2,-0.3 2,-0.0 -5,-0.0 -0.589 29.9 163.4 -83.1 137.5 4.3 26.0 8.2 137 241 A K - 0 0 172 -2,-0.3 -31,-0.0 2,-0.0 -2,-0.0 -0.872 42.5-108.3-151.7 125.6 2.1 26.2 11.3 138 242 A Y - 0 0 72 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.1 -0.231 37.0-176.9 -55.0 132.2 1.8 23.3 13.8 139 243 A V - 0 0 66 0, 0.0 5,-0.1 0, 0.0 -29,-0.1 -0.971 45.7 -77.4-127.0 149.1 -1.4 21.4 13.7 140 244 A D >> - 0 0 74 -2,-0.3 3,-1.1 1,-0.2 4,-0.8 -0.186 39.0-149.2 -48.3 117.2 -2.4 18.5 16.1 141 245 A I T 34 S+ 0 0 44 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.785 92.9 58.0 -61.8 -29.7 -0.4 15.5 14.7 142 246 A N T 34 S+ 0 0 144 1,-0.2 -1,-0.3 3,-0.0 -2,-0.1 0.711 115.9 32.7 -77.8 -21.0 -3.1 13.1 15.9 143 247 A T T <4 S+ 0 0 99 -3,-1.1 -1,-0.2 2,-0.0 -2,-0.2 0.337 86.6 135.4-115.3 3.1 -5.9 14.8 13.9 144 248 A F < + 0 0 34 -4,-0.8 2,-0.3 -3,-0.2 -3,-0.1 -0.232 27.4 172.3 -54.0 138.5 -3.8 15.9 10.9 145 249 A R - 0 0 209 0, 0.0 -2,-0.0 0, 0.0 -14,-0.0 -0.995 37.4-106.0-147.0 145.5 -5.4 15.2 7.5 146 250 A L - 0 0 21 -2,-0.3 2,-0.1 -110,-0.1 -16,-0.1 -0.378 44.5-118.6 -58.6 145.6 -4.6 16.1 3.9 147 251 A S > - 0 0 13 1,-0.1 4,-2.1 -20,-0.1 5,-0.2 -0.448 25.0-103.8 -80.2 165.4 -7.1 18.7 2.7 148 252 A A H > S+ 0 0 86 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.839 123.8 54.8 -54.0 -35.5 -9.4 18.1 -0.2 149 253 A D H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 105.6 50.4 -68.4 -41.8 -7.1 20.2 -2.4 150 254 A D H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.915 112.9 46.9 -59.9 -44.0 -4.1 18.0 -1.5 151 255 A I H X S+ 0 0 54 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.919 111.7 50.3 -68.1 -42.5 -6.0 14.9 -2.4 152 256 A R H X S+ 0 0 144 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.937 112.0 49.6 -55.9 -48.5 -7.3 16.3 -5.6 153 257 A G H X S+ 0 0 4 -4,-2.6 4,-0.8 1,-0.2 3,-0.3 0.936 114.5 41.2 -58.8 -49.1 -3.8 17.4 -6.6 154 258 A I H >X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 3,-0.7 0.887 112.9 53.4 -74.2 -34.7 -2.1 14.0 -5.9 155 259 A Q H 3< S+ 0 0 109 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.739 103.7 58.6 -70.5 -19.5 -4.9 12.0 -7.4 156 260 A S H 3< S+ 0 0 63 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.747 111.8 40.9 -77.5 -23.1 -4.6 14.1 -10.6 157 261 A L H << S+ 0 0 28 -4,-0.8 2,-0.4 -3,-0.7 -2,-0.2 0.788 121.5 34.9 -90.8 -33.9 -0.9 13.0 -10.8 158 262 A Y < 0 0 9 -4,-2.0 -1,-0.2 1,-0.1 -115,-0.1 -0.988 360.0 360.0-132.5 135.5 -1.3 9.3 -9.9 159 263 A G 0 0 117 -2,-0.4 -1,-0.1 -118,-0.1 -4,-0.1 0.343 360.0 360.0 95.4 360.0 -4.0 6.7 -10.5