==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (METALLOPROTEASE/INHIBITOR) 06-JUN-97 1UEA . COMPND 2 MOLECULE: MATRIX METALLOPROTEINASE-3; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.BODE,K.MASKOS,F.-X.GOMIS-RUETH,H.NAGASE . 698 4 12 12 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 424 60.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 0.3 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 . 74 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 3 0 2 2 0 0 2 2 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 2 6 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 4 6 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 6 0 2 2 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 83 A F 0 0 89 0, 0.0 5,-0.2 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0-155.3 57.1 85.7 21.9 2 84 A R - 0 0 241 3,-0.1 4,-0.0 1,-0.1 0, 0.0 0.855 360.0 -8.6 -64.7 -40.5 57.0 88.6 19.4 3 85 A T S S+ 0 0 76 1,-0.3 199,-0.1 199,-0.1 -1,-0.1 0.661 128.8 54.3-125.9 -48.8 60.6 88.3 18.2 4 86 A F S S- 0 0 42 1,-0.1 -1,-0.3 230,-0.1 199,-0.0 -0.703 94.2-101.6 -89.6 147.3 62.5 85.8 20.3 5 87 A P S S+ 0 0 90 0, 0.0 82,-0.2 0, 0.0 2,-0.1 -0.259 71.3 88.9 -65.6 155.3 61.0 82.3 20.7 6 88 A G - 0 0 9 -5,-0.2 83,-0.3 87,-0.1 -2,-0.0 -0.414 57.4-117.1 133.0 153.7 59.1 81.4 23.8 7 89 A I - 0 0 31 81,-2.6 3,-0.1 -2,-0.1 0, 0.0 -0.900 24.7-118.9-123.1 151.7 55.7 81.4 25.5 8 90 A P S S- 0 0 83 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.825 93.7 -0.0 -55.3 -38.0 54.4 83.2 28.7 9 91 A K S S- 0 0 81 78,-0.1 2,-0.4 154,-0.1 117,-0.1 -0.974 83.0 -92.6-151.3 157.8 53.5 79.9 30.5 10 92 A W - 0 0 14 115,-0.4 2,-0.5 -2,-0.3 5,-0.0 -0.631 30.1-139.3 -73.4 129.2 53.7 76.2 29.9 11 93 A R S S+ 0 0 210 -2,-0.4 2,-0.3 2,-0.0 -1,-0.1 -0.015 83.4 53.6 -82.3 35.4 50.4 75.0 28.5 12 94 A K - 0 0 84 -2,-0.5 -2,-0.1 1,-0.1 3,-0.1 -0.962 69.3-142.7-161.6 153.4 50.5 71.9 30.7 13 95 A T S S+ 0 0 53 -2,-0.3 36,-2.0 1,-0.1 2,-1.0 0.719 84.1 72.8 -93.0 -31.6 50.9 71.2 34.4 14 96 A H E -a 49 0A 75 34,-0.2 2,-0.3 36,-0.1 36,-0.2 -0.791 67.5-176.2 -95.0 98.2 53.0 68.1 34.3 15 97 A L E -a 50 0A 0 34,-2.5 36,-2.1 -2,-1.0 2,-0.3 -0.658 13.3-151.3 -94.4 155.0 56.5 69.0 33.3 16 98 A T E -a 51 0A 25 -2,-0.3 44,-1.7 34,-0.2 43,-1.6 -0.907 15.7-178.1-122.0 146.8 59.5 66.8 32.7 17 99 A Y E -ab 52 60A 8 34,-1.9 36,-2.0 -2,-0.3 2,-0.3 -0.952 11.7-153.7-144.4 160.6 63.2 67.7 33.1 18 100 A R E - b 0 61A 53 42,-2.7 44,-2.7 -2,-0.3 2,-1.5 -0.993 17.8-140.7-142.8 133.8 66.7 66.2 32.7 19 101 A I E - b 0 62A 10 34,-0.5 44,-0.2 -2,-0.3 42,-0.1 -0.696 26.9-168.4 -89.9 84.8 70.0 66.8 34.3 20 102 A V - 0 0 63 42,-2.0 2,-0.3 -2,-1.5 -1,-0.2 0.870 58.8 -7.1 -39.8 -64.2 72.1 66.4 31.1 21 103 A N S S- 0 0 66 41,-0.4 2,-0.3 -3,-0.1 43,-0.0 -0.799 71.9-113.4-132.1 176.4 75.6 66.3 32.6 22 104 A Y - 0 0 59 -2,-0.3 3,-0.1 41,-0.1 6,-0.1 -0.819 14.4-124.5-119.0 155.9 77.3 66.7 35.9 23 105 A T > - 0 0 3 -2,-0.3 3,-0.9 1,-0.1 8,-0.1 -0.788 12.9-144.0 -94.6 134.4 79.8 69.1 37.6 24 106 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.925 93.0 79.2 -60.9 -42.3 82.9 67.5 39.0 25 107 A D T 3 S+ 0 0 48 77,-0.1 78,-0.0 75,-0.1 75,-0.0 0.758 102.3 31.6 -31.7 -44.8 82.7 70.1 41.9 26 108 A L S < S- 0 0 25 -3,-0.9 -3,-0.1 79,-0.1 5,-0.1 -0.937 93.7 -96.1-130.2 146.5 80.0 68.0 43.5 27 109 A P >> - 0 0 91 0, 0.0 3,-2.7 0, 0.0 4,-1.2 -0.299 39.8-118.8 -55.5 129.2 79.1 64.2 43.8 28 110 A K H >> S+ 0 0 141 1,-0.3 4,-1.7 2,-0.2 3,-0.8 0.834 114.5 56.3 -37.3 -49.5 76.5 63.3 41.2 29 111 A D H 3> S+ 0 0 135 1,-0.3 4,-1.1 2,-0.2 -1,-0.3 0.775 104.2 53.5 -57.0 -30.8 74.1 62.3 44.0 30 112 A A H <> S+ 0 0 22 -3,-2.7 4,-2.3 2,-0.2 -1,-0.3 0.779 103.4 55.5 -76.0 -29.2 74.4 65.8 45.6 31 113 A V H X S+ 0 0 0 -4,-2.3 4,-0.6 -5,-0.3 3,-0.6 0.941 108.0 46.1 -59.8 -51.2 65.0 73.3 43.9 39 121 A L H >X S+ 0 0 3 -4,-2.6 4,-1.3 1,-0.2 3,-1.3 0.881 105.2 61.5 -59.4 -40.2 62.1 72.2 41.8 40 122 A K H 3X S+ 0 0 105 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.860 89.6 70.7 -56.7 -35.4 60.0 71.2 44.9 41 123 A V H << S+ 0 0 10 -4,-1.3 4,-0.4 -3,-0.6 -1,-0.3 0.837 106.6 37.6 -50.7 -38.3 60.1 74.9 46.0 42 124 A W H << S+ 0 0 0 -3,-1.3 4,-0.4 -4,-0.6 6,-0.3 0.740 109.4 61.1 -87.5 -26.1 57.8 75.7 43.1 43 125 A E H >< S+ 0 0 66 -4,-1.3 3,-0.9 1,-0.2 -2,-0.2 0.860 98.6 58.5 -67.9 -36.1 55.6 72.5 43.3 44 126 A E T 3< S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.841 109.8 42.8 -61.9 -34.6 54.5 73.4 46.8 45 127 A V T 3 S+ 0 0 19 -4,-0.4 -1,-0.2 -5,-0.2 -2,-0.2 0.391 121.1 32.4 -95.5 5.1 53.1 76.7 45.6 46 128 A T S < S- 0 0 2 -3,-0.9 119,-0.1 -4,-0.4 115,-0.1 -0.853 84.6-104.4-149.3 173.9 51.4 75.5 42.4 47 129 A P S S+ 0 0 39 0, 0.0 2,-0.1 0, 0.0 -4,-0.1 0.231 77.2 129.4 -87.0 13.2 49.6 72.4 40.9 48 130 A L - 0 0 3 -6,-0.3 2,-0.3 -5,-0.1 -34,-0.2 -0.394 41.5-161.2 -73.6 147.8 52.8 71.7 38.9 49 131 A T E -a 14 0A 30 -36,-2.0 -34,-2.5 -2,-0.1 2,-0.5 -0.945 3.6-153.6-129.5 146.9 54.5 68.4 38.8 50 132 A F E -a 15 0A 26 -2,-0.3 2,-0.5 -36,-0.2 -34,-0.2 -0.978 6.4-170.6-128.2 121.7 58.0 67.4 37.8 51 133 A S E -a 16 0A 10 -36,-2.1 -34,-1.9 -2,-0.5 2,-0.2 -0.935 20.4-133.8-111.9 124.7 59.1 64.1 36.5 52 134 A R E -a 17 0A 20 -2,-0.5 2,-0.3 -36,-0.2 -34,-0.2 -0.548 23.7-169.9 -79.1 141.6 62.8 63.3 36.1 53 135 A L - 0 0 34 -36,-2.0 -34,-0.5 -2,-0.2 3,-0.1 -0.812 21.7-165.5-125.4 165.6 64.0 61.7 32.8 54 136 A Y S S+ 0 0 68 1,-0.3 2,-0.3 -2,-0.3 -36,-0.1 0.293 74.8 31.6-133.6 4.9 67.3 60.2 31.7 55 137 A E S S+ 0 0 116 2,-0.0 -1,-0.3 0, 0.0 2,-0.0 -0.977 97.0 26.7-159.8 154.2 66.9 60.0 28.0 56 138 A G S S- 0 0 44 -2,-0.3 2,-0.6 -3,-0.1 -3,-0.1 -0.231 99.2 -46.8 82.1-176.5 65.2 61.9 25.3 57 139 A E - 0 0 154 -2,-0.0 2,-0.1 4,-0.0 3,-0.1 -0.850 54.9-169.8 -99.3 115.5 64.3 65.6 25.4 58 140 A A - 0 0 9 -2,-0.6 -41,-0.2 1,-0.1 3,-0.2 -0.385 35.0-110.3 -89.4 175.9 62.6 66.8 28.6 59 141 A D S S+ 0 0 27 -43,-1.6 2,-0.9 1,-0.3 -42,-0.2 0.983 109.7 43.6 -69.7 -57.2 61.1 70.3 28.8 60 142 A I E S-b 17 0A 0 -44,-1.7 -42,-2.7 34,-0.1 2,-0.9 -0.781 73.1-166.9 -96.4 102.2 63.8 71.6 31.2 61 143 A X E -b 18 0A 16 -2,-0.9 35,-1.6 32,-0.3 2,-0.4 -0.805 9.9-165.0 -90.6 100.3 67.2 70.5 30.1 62 144 A I E +bc 19 96A 1 -44,-2.7 -42,-2.0 -2,-0.9 -41,-0.4 -0.739 20.2 155.7 -89.2 131.1 69.5 71.3 33.0 63 145 A S E - c 0 97A 16 33,-2.0 35,-2.4 -2,-0.4 2,-0.4 -0.998 38.6-125.7-157.9 155.3 73.3 71.3 32.3 64 146 A F E + c 0 98A 9 -2,-0.3 2,-0.3 33,-0.2 35,-0.2 -0.847 36.6 159.1-102.8 138.1 76.8 72.5 33.3 65 147 A A E - c 0 99A 17 33,-2.8 35,-2.8 -2,-0.4 36,-0.4 -0.921 27.7-140.5-150.8 170.0 79.0 74.3 30.9 66 148 A V - 0 0 56 2,-0.3 10,-0.1 -2,-0.3 33,-0.1 -0.991 64.1 -36.2-138.2 139.6 82.0 76.7 30.7 67 149 A R S S+ 0 0 139 -2,-0.3 8,-2.0 7,-0.1 2,-0.2 -0.144 126.6 24.7 47.0-128.2 82.7 79.6 28.3 68 150 A E + 0 0 123 6,-0.2 -2,-0.3 1,-0.1 4,-0.1 -0.464 68.9 156.5 -66.9 129.9 81.2 78.6 24.9 69 151 A H - 0 0 39 2,-0.4 2,-0.5 -2,-0.2 -1,-0.1 0.065 63.3 -79.3-146.9 32.8 78.4 76.0 25.2 70 152 A G S S+ 0 0 65 1,-0.3 -2,-0.1 2,-0.0 0, 0.0 -0.455 100.7 80.4 107.6 -65.3 76.0 76.0 22.2 71 153 A D S S- 0 0 11 -2,-0.5 -2,-0.4 2,-0.1 -1,-0.3 -0.148 93.3 -97.0 -72.3 176.6 73.6 79.0 22.8 72 154 A F S S+ 0 0 138 1,-0.2 -1,-0.1 -3,-0.1 -4,-0.0 0.191 105.4 74.9 -82.6 16.7 74.4 82.6 22.0 73 155 A Y - 0 0 24 -6,-0.1 -1,-0.2 160,-0.0 -2,-0.1 -0.671 67.0-164.2-133.7 81.8 75.4 83.5 25.5 74 156 A P - 0 0 69 0, 0.0 -6,-0.2 0, 0.0 2,-0.2 -0.282 28.8-107.3 -61.5 146.1 78.9 82.1 26.5 75 157 A F - 0 0 5 -8,-2.0 2,-0.3 1,-0.1 7,-0.1 -0.514 20.5-124.9 -81.1 147.2 79.7 82.1 30.2 76 158 A D - 0 0 49 5,-0.3 -1,-0.1 1,-0.2 6,-0.0 -0.029 42.1-114.3 -80.9 29.3 82.1 84.6 31.7 77 159 A G S S- 0 0 0 -2,-0.3 -1,-0.2 3,-0.1 24,-0.1 -0.295 76.4 -2.4 68.6-164.9 84.6 82.2 33.4 78 160 A P S S+ 0 0 94 0, 0.0 24,-0.1 0, 0.0 3,-0.1 -0.363 117.7 2.0 -61.7 141.0 84.9 82.3 37.3 79 161 A G S S+ 0 0 24 1,-0.2 2,-0.3 20,-0.1 -3,-0.2 -0.258 98.6 57.5 82.2-171.8 82.7 84.9 39.0 80 162 A N S S+ 0 0 55 93,-0.4 93,-2.4 94,-0.1 2,-0.8 -0.262 105.1 37.0 50.3-103.1 80.1 87.4 37.8 81 163 A V E +D 172 0A 11 -2,-0.3 -5,-0.3 91,-0.2 91,-0.2 -0.675 62.0 176.5 -85.2 110.8 77.4 85.5 35.9 82 164 A L E - 0 0 0 89,-1.6 17,-2.7 -2,-0.8 2,-0.3 0.733 60.7 -18.3 -84.0 -29.9 76.8 82.2 37.6 83 165 A A E -DE 171 98A 0 88,-1.4 88,-2.3 15,-0.2 2,-0.3 -0.964 51.1-154.3-171.3 163.1 74.0 80.9 35.5 84 166 A H E - E 0 97A 4 13,-1.5 13,-2.7 -2,-0.3 2,-0.3 -0.950 9.8-167.0-144.8 160.0 71.2 81.6 33.0 85 167 A A E - E 0 96A 0 152,-1.6 2,-0.3 -2,-0.3 11,-0.2 -0.957 15.4-122.8-147.6 163.8 67.9 80.1 31.9 86 168 A Y - 0 0 31 9,-2.5 40,-0.1 -2,-0.3 3,-0.1 -0.802 27.3-109.8-113.7 152.9 65.2 80.3 29.2 87 169 A A - 0 0 13 -2,-0.3 7,-1.2 -82,-0.2 8,-0.2 -0.224 54.3 -67.7 -73.6 162.8 61.5 81.0 29.3 88 170 A P S S+ 0 0 0 0, 0.0 -81,-2.6 0, 0.0 -1,-0.2 -0.070 85.7 85.5 -47.6 149.9 58.8 78.4 28.6 89 171 A G S S- 0 0 9 -83,-0.3 2,-0.1 4,-0.2 -3,-0.0 -0.875 73.2 -35.0 146.5-178.5 58.6 77.1 25.1 90 172 A P S > S- 0 0 96 0, 0.0 3,-1.3 0, 0.0 2,-0.4 -0.409 98.2 -13.6 -76.0 151.8 59.9 74.6 22.4 91 173 A G T 3 S+ 0 0 58 1,-0.3 4,-0.1 -2,-0.1 -2,-0.1 -0.431 135.3 13.0 67.9-119.6 63.4 73.3 22.2 92 174 A I T > S+ 0 0 67 -2,-0.4 3,-1.2 2,-0.1 -1,-0.3 0.609 103.4 112.8 -69.1 -12.4 66.1 75.2 24.2 93 175 A N T < S+ 0 0 8 -3,-1.3 -32,-0.3 1,-0.2 -4,-0.2 -0.217 76.0 20.0 -63.1 149.2 63.3 77.0 26.1 94 176 A G T 3 S+ 0 0 0 -7,-1.2 -1,-0.2 1,-0.2 30,-0.2 0.154 96.2 131.9 78.7 -20.2 62.8 76.2 29.8 95 177 A D < - 0 0 13 -3,-1.2 -9,-2.5 -8,-0.2 2,-0.4 -0.142 44.1-153.1 -64.6 157.1 66.4 75.0 29.8 96 178 A A E -cE 62 85A 0 -35,-1.6 -33,-2.0 -11,-0.2 2,-0.3 -0.997 6.4-165.1-137.0 128.1 68.8 76.1 32.5 97 179 A H E -cE 63 84A 17 -13,-2.7 -13,-1.5 -2,-0.4 2,-0.4 -0.878 6.9-151.7-113.5 149.6 72.6 76.2 32.2 98 180 A F E -cE 64 83A 1 -35,-2.4 -33,-2.8 -2,-0.3 2,-0.9 -0.968 19.9-119.3-128.4 136.3 75.2 76.5 34.9 99 181 A D E > -c 65 0A 0 -17,-2.7 3,-1.7 -2,-0.4 -33,-0.2 -0.580 21.5-169.0 -73.0 103.8 78.7 78.1 35.0 100 182 A D T 3 S+ 0 0 32 -35,-2.8 4,-0.2 -2,-0.9 -1,-0.2 0.779 79.7 76.2 -65.7 -26.1 81.0 75.2 36.0 101 183 A D T 3 S+ 0 0 56 -36,-0.4 -1,-0.3 2,-0.1 2,-0.1 0.637 85.0 84.5 -59.8 -13.1 83.9 77.7 36.5 102 184 A E S < S- 0 0 14 -3,-1.7 2,-1.0 -20,-0.2 -77,-0.1 -0.434 94.3-108.2 -87.7 163.4 82.1 78.5 39.8 103 185 A Q - 0 0 100 -2,-0.1 8,-2.7 -78,-0.0 2,-0.4 -0.849 37.0-155.7 -95.0 97.9 82.6 76.5 42.9 104 186 A W E +g 111 0B 0 -2,-1.0 2,-0.3 -4,-0.2 8,-0.2 -0.668 18.9 173.3 -79.3 125.1 79.3 74.6 43.3 105 187 A T E -g 112 0B 9 6,-1.4 8,-1.4 -2,-0.4 9,-0.3 -0.975 39.3-146.6-135.4 150.1 78.4 73.5 46.8 106 188 A K S S+ 0 0 59 -2,-0.3 2,-0.2 6,-0.2 6,-0.1 0.262 88.1 52.1 -91.7 7.1 75.5 71.9 48.6 107 189 A D S S- 0 0 85 2,-0.1 2,-2.0 4,-0.0 -2,-0.1 -0.806 105.8 -80.5-134.7 178.1 76.3 74.0 51.7 108 190 A T S S+ 0 0 43 -2,-0.2 196,-0.5 1,-0.2 3,-0.1 -0.272 105.4 83.7 -76.9 51.2 77.0 77.6 52.8 109 191 A T S S- 0 0 61 -2,-2.0 2,-0.3 194,-0.1 -1,-0.2 -0.382 98.9 -0.5-151.0 59.6 80.6 77.5 51.6 110 192 A G S S- 0 0 8 192,-0.4 2,-1.0 -5,-0.1 -6,-0.2 -0.938 112.9 -32.3 149.7-164.8 80.5 78.2 47.9 111 193 A T E -g 104 0B 1 -8,-2.7 -6,-1.4 -2,-0.3 2,-0.5 -0.766 66.9-128.5 -89.9 102.5 77.8 79.0 45.3 112 194 A N E > -g 105 0B 3 -2,-1.0 4,-2.1 -8,-0.2 5,-0.2 -0.352 13.3-156.9 -55.9 105.4 74.8 77.0 46.5 113 195 A L H > S+ 0 0 0 -8,-1.4 4,-3.2 -2,-0.5 5,-0.2 0.863 91.7 55.1 -51.3 -42.1 73.5 75.0 43.5 114 196 A F H > S+ 0 0 2 -9,-0.3 4,-3.3 2,-0.2 5,-0.3 0.975 106.2 49.0 -57.4 -57.6 70.1 74.8 45.1 115 197 A L H > S+ 0 0 18 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.893 116.4 43.0 -50.2 -47.4 69.6 78.5 45.5 116 198 A V H X S+ 0 0 1 -4,-2.1 4,-3.2 2,-0.2 -1,-0.2 0.938 113.5 49.7 -68.0 -45.4 70.7 79.2 41.9 117 199 A A H X S+ 0 0 0 -4,-3.2 4,-3.2 1,-0.2 5,-0.3 0.935 108.4 54.7 -59.9 -42.1 68.7 76.3 40.4 118 200 A A H X S+ 0 0 0 -4,-3.3 4,-1.3 -5,-0.2 -1,-0.2 0.907 112.3 44.3 -55.8 -43.7 65.6 77.5 42.3 119 201 A H H X S+ 0 0 2 -4,-1.6 4,-0.8 -5,-0.3 3,-0.4 0.961 114.5 47.1 -65.9 -53.7 66.1 80.9 40.7 120 202 A E H >X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 3,-1.2 0.884 107.0 56.7 -58.9 -40.2 66.7 79.7 37.2 121 203 A I H 3X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.3 -1,-0.2 0.881 96.8 64.9 -60.0 -36.5 63.8 77.3 37.3 122 204 A G H 3<>S+ 0 0 0 -4,-1.3 5,-3.0 -3,-0.4 4,-0.3 0.852 104.1 47.3 -53.8 -34.1 61.6 80.3 38.0 123 205 A H H X<5S+ 0 0 2 -3,-1.2 3,-1.0 -4,-0.8 -1,-0.2 0.872 105.7 56.3 -73.9 -41.6 62.6 81.5 34.5 124 206 A S H 3<5S+ 0 0 0 -4,-1.5 -2,-0.2 1,-0.3 -1,-0.2 0.779 110.1 48.4 -59.8 -28.4 61.9 78.1 32.9 125 207 A L T 3<5S- 0 0 0 -4,-1.8 -115,-0.4 -5,-0.2 -1,-0.3 0.541 131.1 -90.7 -88.0 -15.0 58.4 78.5 34.3 126 208 A G T < 5S+ 0 0 13 -3,-1.0 -3,-0.2 -4,-0.3 2,-0.2 0.563 77.1 137.5 117.3 9.8 57.9 82.0 33.1 127 209 A L < - 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