==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 21-JAN-11 2Y6I . COMPND 2 MOLECULE: COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM HISTOLYTICUM; . AUTHOR U.ECKHARD,H.BRANDSTETTER . 674 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28539.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 0.1 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 . 32 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 80 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 296 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.2 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 5 4 0 1 1 2 1 3 3 1 2 1 1 4 0 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 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 . 2 0 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 117 A T 0 0 145 0, 0.0 2,-0.4 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 158.9 1.0 34.8 -9.1 2 118 A M - 0 0 122 26,-0.0 2,-0.4 24,-0.0 26,-0.1 -0.917 360.0-148.9-111.1 133.7 4.8 34.6 -9.6 3 119 A Y B -a 28 0A 67 24,-1.0 26,-1.4 -2,-0.4 2,-0.1 -0.884 11.1-140.3-108.0 131.7 6.9 37.7 -9.9 4 120 A D > - 0 0 72 -2,-0.4 4,-1.0 24,-0.2 24,-0.1 -0.446 12.4-129.0 -89.8 162.4 10.1 37.8 -12.0 5 121 A F H > S+ 0 0 6 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.803 104.6 57.3 -81.9 -33.3 13.4 39.6 -11.2 6 122 A E H > S+ 0 0 111 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.773 103.6 59.2 -67.9 -27.9 13.9 41.5 -14.5 7 123 A Y H >4 S+ 0 0 132 1,-0.2 3,-1.4 2,-0.2 -1,-0.2 0.948 97.2 56.4 -60.4 -56.3 10.5 43.1 -13.8 8 124 A L H 3< S+ 0 0 7 -4,-1.0 3,-0.4 1,-0.3 -1,-0.2 0.748 95.8 64.6 -56.8 -33.5 11.3 44.7 -10.4 9 125 A N H 3< S+ 0 0 39 -4,-0.9 2,-1.3 1,-0.3 -1,-0.3 0.888 97.8 59.1 -56.0 -41.3 14.3 46.6 -11.9 10 126 A G S << S+ 0 0 64 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.3 -0.538 94.7 87.3 -88.6 66.0 11.7 48.5 -14.0 11 127 A L S S- 0 0 50 -2,-1.3 2,-0.2 -3,-0.4 3,-0.0 -0.970 79.8-103.1-151.1 160.5 9.7 49.9 -11.1 12 128 A S > - 0 0 63 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.576 31.9-122.7 -77.5 152.5 9.6 52.8 -8.7 13 129 A Y H > S+ 0 0 73 -2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.890 114.1 58.8 -61.1 -39.1 10.9 52.1 -5.2 14 130 A T H > S+ 0 0 114 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.893 112.9 36.3 -55.5 -47.2 7.4 53.3 -4.0 15 131 A E H > S+ 0 0 42 2,-0.2 4,-1.6 1,-0.1 -1,-0.2 0.833 116.8 55.1 -75.8 -34.9 5.6 50.6 -6.0 16 132 A L H X S+ 0 0 1 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.916 109.1 44.9 -62.6 -49.5 8.4 48.0 -5.4 17 133 A T H X S+ 0 0 22 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.872 114.3 48.2 -68.0 -40.0 8.4 48.3 -1.6 18 134 A N H X S+ 0 0 78 -4,-1.2 4,-1.1 -5,-0.3 -1,-0.2 0.816 113.1 50.9 -67.8 -31.0 4.6 48.2 -1.4 19 135 A L H >X S+ 0 0 27 -4,-1.6 4,-2.2 2,-0.2 3,-0.5 0.941 110.7 45.7 -68.1 -51.5 4.8 45.2 -3.8 20 136 A I H 3< S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.878 108.4 60.6 -57.7 -38.9 7.3 43.3 -1.6 21 137 A K H 3< S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.836 111.2 37.8 -55.6 -40.0 5.1 44.2 1.4 22 138 A N H << S+ 0 0 118 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.840 108.4 71.6 -83.5 -37.6 2.2 42.3 -0.1 23 139 A I S < S- 0 0 13 -4,-2.2 2,-0.3 -5,-0.1 49,-0.2 -0.276 79.5-117.4 -80.4 162.7 4.0 39.3 -1.6 24 140 A K > - 0 0 41 1,-0.1 3,-1.3 48,-0.1 4,-0.3 -0.709 29.9-113.9 -93.2 155.3 5.7 36.4 0.1 25 141 A W G > S+ 0 0 105 -2,-0.3 3,-1.2 1,-0.2 6,-0.1 0.799 108.3 63.0 -60.5 -35.1 9.5 35.9 -0.4 26 142 A N G 3 S+ 0 0 107 1,-0.2 -1,-0.2 5,-0.0 5,-0.1 0.582 85.4 75.5 -72.0 -11.3 9.3 32.6 -2.4 27 143 A Q G < S+ 0 0 58 -3,-1.3 -24,-1.0 2,-0.1 2,-0.4 0.712 75.4 91.5 -73.6 -23.1 7.4 34.2 -5.3 28 144 A I B X S-a 3 0A 14 -3,-1.2 3,-0.9 -4,-0.3 2,-0.2 -0.635 81.6-121.5 -81.3 126.1 10.5 36.0 -6.6 29 145 A N T 3 S- 0 0 58 -26,-1.4 -24,-0.1 -2,-0.4 -2,-0.1 -0.475 84.4 -11.1 -70.7 130.0 12.5 34.0 -9.2 30 146 A G T 3 S+ 0 0 33 -2,-0.2 -1,-0.2 1,-0.1 3,-0.2 0.858 75.5 163.8 48.5 47.8 16.2 33.2 -8.4 31 147 A L S < S+ 0 0 7 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.759 81.7 33.6 -64.5 -28.5 16.2 35.6 -5.4 32 148 A F S S+ 0 0 63 50,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.406 100.5 100.2-106.3 -4.2 19.4 33.9 -4.1 33 149 A N S S- 0 0 109 -3,-0.2 2,-0.7 1,-0.0 50,-0.1 -0.647 74.4-127.4 -80.4 138.4 20.8 33.2 -7.6 34 150 A Y + 0 0 95 -2,-0.3 2,-0.2 3,-0.1 -3,-0.1 -0.807 46.0 150.7 -89.9 116.5 23.4 35.6 -9.0 35 151 A S > - 0 0 41 -2,-0.7 4,-1.0 -5,-0.1 -5,-0.0 -0.788 62.7-101.8-133.7 175.0 22.4 36.8 -12.4 36 152 A T H > S+ 0 0 132 -2,-0.2 4,-0.9 1,-0.2 -1,-0.0 0.791 125.5 49.9 -65.8 -29.7 22.8 39.8 -14.7 37 153 A G H > S+ 0 0 3 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.826 108.6 48.7 -78.1 -36.4 19.3 40.8 -13.6 38 154 A S H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.676 103.8 64.1 -77.6 -18.0 19.9 40.4 -9.9 39 155 A Q H X S+ 0 0 54 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.932 102.0 46.3 -69.2 -48.0 23.1 42.5 -10.2 40 156 A K H X S+ 0 0 48 -4,-0.9 4,-0.8 2,-0.2 -2,-0.2 0.837 110.8 54.6 -65.3 -36.3 21.3 45.7 -11.2 41 157 A F H >< S+ 0 0 3 -4,-1.0 3,-0.7 1,-0.2 7,-0.2 0.972 119.4 29.6 -60.8 -60.3 18.6 45.3 -8.5 42 158 A F H 3< S+ 0 0 2 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.690 109.8 72.6 -76.0 -20.1 21.1 45.1 -5.6 43 159 A G H 3< S+ 0 0 35 -4,-1.9 2,-0.9 -5,-0.2 -1,-0.2 0.745 78.7 85.5 -65.1 -26.0 23.6 47.3 -7.4 44 160 A D S+ 0 0 96 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.818 92.2 53.0 -59.2 -32.7 22.3 51.6 -3.3 46 162 A N H > S+ 0 0 104 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.829 102.6 57.9 -70.6 -35.2 19.1 53.6 -3.4 47 163 A R H > S+ 0 0 19 -3,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.942 111.9 39.6 -61.1 -49.6 17.0 50.5 -4.2 48 164 A V H X S+ 0 0 4 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.872 110.7 58.6 -69.6 -36.9 18.1 48.7 -1.1 49 165 A Q H X S+ 0 0 67 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.843 105.1 52.1 -60.2 -34.9 18.0 51.9 1.0 50 166 A A H X S+ 0 0 19 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.938 107.5 50.7 -64.1 -47.9 14.3 52.1 0.1 51 167 A I H X S+ 0 0 0 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.852 111.5 48.8 -59.3 -38.7 13.6 48.5 1.2 52 168 A I H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.938 112.0 47.7 -64.9 -49.3 15.3 49.2 4.5 53 169 A N H X S+ 0 0 83 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.837 111.1 51.9 -61.5 -34.8 13.3 52.4 5.0 54 170 A A H X S+ 0 0 19 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.858 110.2 49.0 -67.8 -37.0 10.2 50.5 4.1 55 171 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.856 109.2 52.7 -68.2 -37.6 11.2 47.9 6.7 56 172 A Q H X S+ 0 0 73 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.887 114.9 39.9 -67.1 -42.6 11.7 50.7 9.3 57 173 A E H X S+ 0 0 127 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.865 116.3 52.3 -70.6 -38.0 8.2 52.1 8.7 58 174 A S H X S+ 0 0 4 -4,-2.2 4,-1.4 1,-0.2 3,-0.3 0.806 108.9 50.8 -65.1 -32.3 6.9 48.6 8.5 59 175 A G H < S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.785 105.5 55.5 -75.5 -30.4 8.6 47.8 11.9 60 176 A R H < S+ 0 0 73 -4,-1.1 -1,-0.2 1,-0.1 -2,-0.2 0.647 117.3 34.4 -73.9 -16.6 7.0 50.8 13.6 61 177 A T H < S+ 0 0 69 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.1 0.730 80.0 124.6-112.7 -29.8 3.5 49.8 12.6 62 178 A Y < - 0 0 1 -4,-1.4 52,-0.3 5,-0.2 2,-0.2 0.076 36.2-168.5 -51.8 144.6 3.1 46.0 12.7 63 179 A T - 0 0 68 3,-1.5 -1,-0.1 50,-0.1 -2,-0.0 -0.617 40.1 -86.0-123.4-178.7 0.4 44.3 14.8 64 180 A A S S+ 0 0 43 -2,-0.2 57,-0.5 1,-0.2 58,-0.2 0.812 127.6 26.0 -59.8 -35.4 -0.6 40.8 16.0 65 181 A N S S+ 0 0 98 1,-0.1 2,-0.6 56,-0.1 -1,-0.2 0.854 112.5 69.5 -95.0 -45.2 -2.6 40.1 12.9 66 182 A D - 0 0 95 1,-0.2 -3,-1.5 -5,-0.1 -1,-0.1 -0.681 54.3-171.2 -85.1 118.3 -0.9 42.3 10.3 67 183 A M > - 0 0 53 -2,-0.6 3,-0.9 -5,-0.2 -1,-0.2 0.843 21.8-148.4 -68.6 -36.2 2.6 41.2 9.3 68 184 A K T 3 - 0 0 16 1,-0.2 -46,-0.1 2,-0.1 -6,-0.1 0.628 59.7 -77.7 64.1 17.9 3.2 44.4 7.3 69 185 A G T 3> S+ 0 0 6 -47,-0.1 4,-2.3 3,-0.1 -1,-0.2 0.713 90.8 142.0 69.8 24.9 5.4 42.2 5.1 70 186 A I H <> + 0 0 0 -3,-0.9 4,-2.6 1,-0.2 5,-0.2 0.884 68.5 56.3 -64.3 -40.6 8.3 42.1 7.5 71 187 A E H > S+ 0 0 36 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.902 111.7 43.7 -55.1 -44.2 9.1 38.5 6.8 72 188 A T H > S+ 0 0 10 2,-0.2 4,-1.7 -49,-0.2 -2,-0.2 0.887 111.4 53.1 -71.6 -42.1 9.4 39.3 3.1 73 189 A F H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.930 110.1 48.4 -57.5 -48.8 11.5 42.5 3.7 74 190 A T H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.939 110.1 50.3 -58.2 -50.9 14.0 40.6 5.8 75 191 A E H X S+ 0 0 33 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.805 109.6 51.8 -61.7 -32.6 14.5 37.7 3.4 76 192 A V H X S+ 0 0 6 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.941 113.4 42.4 -69.1 -48.9 15.1 40.1 0.5 77 193 A L H X S+ 0 0 8 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.868 113.1 55.1 -63.9 -36.6 17.8 42.1 2.3 78 194 A R H X S+ 0 0 6 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.901 104.5 53.4 -60.4 -43.3 19.2 38.7 3.5 79 195 A A H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.830 105.8 56.3 -60.1 -35.3 19.4 37.6 -0.1 80 196 A G H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.968 109.1 41.4 -60.6 -58.4 21.4 40.8 -0.8 81 197 A F H X S+ 0 0 12 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.790 111.1 59.2 -63.5 -30.9 24.2 40.2 1.7 82 198 A Y H X S+ 0 0 121 -4,-1.8 4,-1.5 2,-0.2 3,-0.4 0.926 112.4 38.7 -59.2 -48.2 24.2 36.5 0.8 83 199 A L H X S+ 0 0 4 -4,-1.8 4,-1.9 1,-0.2 7,-0.3 0.792 111.0 59.9 -73.3 -31.2 25.1 37.5 -2.8 84 200 A G H < S+ 0 0 3 -4,-2.3 10,-0.3 2,-0.2 -1,-0.2 0.668 105.4 50.5 -70.7 -19.7 27.3 40.3 -1.6 85 201 A Y H < S+ 0 0 179 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.927 117.8 34.7 -78.9 -53.7 29.4 37.7 0.2 86 202 A Y H < S+ 0 0 102 -4,-1.5 2,-0.5 -5,-0.1 -2,-0.2 0.667 113.1 65.5 -79.7 -17.9 29.9 35.3 -2.7 87 203 A N >< - 0 0 46 -4,-1.9 3,-1.1 -5,-0.1 -1,-0.1 -0.928 60.8-153.8-119.5 129.2 30.1 38.0 -5.5 88 204 A D G > S+ 0 0 116 -2,-0.5 3,-0.7 1,-0.2 -1,-0.1 0.607 92.9 70.8 -65.5 -14.0 32.7 40.7 -6.2 89 205 A G G 3 S+ 0 0 41 1,-0.2 -1,-0.2 -6,-0.2 3,-0.2 0.784 102.2 38.2 -75.2 -30.7 30.0 42.7 -8.0 90 206 A L G X> S+ 0 0 0 -3,-1.1 3,-1.4 -7,-0.3 4,-0.6 -0.267 74.3 139.8-115.7 44.6 28.0 43.6 -4.9 91 207 A S H <> + 0 0 64 -3,-0.7 4,-0.9 1,-0.3 3,-0.2 0.666 59.0 68.8 -65.8 -22.9 31.0 44.2 -2.5 92 208 A Y H 34 S+ 0 0 44 1,-0.2 6,-0.3 2,-0.2 -1,-0.3 0.735 95.5 56.2 -71.7 -22.9 29.5 47.2 -0.8 93 209 A L H <4 S+ 0 0 3 -3,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.817 100.8 58.2 -74.5 -33.6 26.9 45.0 0.9 94 210 A N H < S+ 0 0 78 -4,-0.6 -2,-0.2 -10,-0.3 -1,-0.2 0.780 85.4 99.4 -64.5 -30.3 29.6 42.9 2.3 95 211 A D S >X S- 0 0 71 -4,-0.9 4,-1.2 1,-0.1 3,-0.8 -0.425 73.1-141.7 -62.5 128.5 31.0 46.0 4.1 96 212 A R H 3> S+ 0 0 56 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.782 96.5 65.4 -63.1 -30.8 30.0 46.1 7.7 97 213 A N H 34 S+ 0 0 128 1,-0.2 -1,-0.2 2,-0.2 -4,-0.1 0.793 103.9 44.7 -63.9 -32.2 29.5 49.9 7.6 98 214 A F H X4 S+ 0 0 31 -3,-0.8 3,-1.8 -6,-0.3 -1,-0.2 0.813 105.1 61.0 -80.4 -33.7 26.6 49.6 5.1 99 215 A Q H >< S+ 0 0 21 -4,-1.2 3,-1.8 1,-0.3 38,-0.5 0.752 90.1 71.7 -63.9 -24.8 25.0 46.8 7.0 100 216 A D G >< S+ 0 0 64 -4,-1.0 3,-0.7 1,-0.3 -1,-0.3 0.604 79.7 75.6 -66.4 -12.8 24.7 49.2 9.9 101 217 A K G < S+ 0 0 41 -3,-1.8 4,-0.3 1,-0.2 -1,-0.3 0.650 87.5 61.0 -71.9 -15.4 22.0 51.0 7.9 102 218 A C G X> S+ 0 0 0 -3,-1.8 4,-1.8 1,-0.2 3,-0.7 0.665 82.7 84.2 -82.1 -19.8 19.6 48.1 8.9 103 219 A I H <> S+ 0 0 14 -3,-0.7 4,-2.9 -4,-0.3 5,-0.2 0.884 85.4 51.1 -54.2 -50.7 19.9 48.9 12.6 104 220 A P H 3> S+ 0 0 53 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.802 110.0 53.1 -60.3 -26.8 17.2 51.6 12.8 105 221 A A H <> S+ 0 0 0 -3,-0.7 4,-1.3 -4,-0.3 -2,-0.2 0.887 110.1 46.6 -70.4 -41.9 14.9 49.1 11.0 106 222 A M H X S+ 0 0 0 -4,-1.8 4,-1.8 1,-0.2 3,-0.3 0.931 111.4 51.3 -63.5 -47.3 15.6 46.5 13.6 107 223 A I H X S+ 0 0 38 -4,-2.9 4,-3.1 1,-0.2 5,-0.3 0.842 102.8 60.8 -59.6 -36.3 15.1 49.0 16.5 108 224 A A H X S+ 0 0 9 -4,-1.4 4,-1.0 -5,-0.2 -1,-0.2 0.911 106.4 45.6 -57.3 -44.9 11.8 50.0 15.0 109 225 A I H < S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.886 114.8 49.9 -62.8 -39.9 10.6 46.4 15.4 110 226 A Q H < S+ 0 0 18 -4,-1.8 -2,-0.2 1,-0.2 5,-0.2 0.873 109.2 48.3 -69.2 -42.1 12.0 46.4 19.0 111 227 A K H < S+ 0 0 103 -4,-3.1 -1,-0.2 -5,-0.1 -2,-0.2 0.667 90.0 103.4 -74.9 -18.8 10.4 49.7 20.1 112 228 A N S >< S- 0 0 10 -4,-1.0 3,-1.3 -5,-0.3 -51,-0.1 -0.458 80.3-128.8 -62.0 133.0 7.0 48.5 18.8 113 229 A P G > S+ 0 0 117 0, 0.0 3,-0.5 0, 0.0 -1,-0.1 0.666 104.9 67.9 -59.9 -17.2 4.7 47.4 21.6 114 230 A N G 3 + 0 0 37 -52,-0.3 4,-0.1 1,-0.2 -2,-0.1 0.083 65.9 106.1 -89.3 22.8 4.2 44.1 19.7 115 231 A F G < + 0 0 11 -3,-1.3 -1,-0.2 -5,-0.2 -4,-0.1 0.769 55.3 94.6 -76.7 -24.3 7.8 43.0 20.2 116 232 A K S < S- 0 0 56 -3,-0.5 2,-0.5 1,-0.1 33,-0.1 -0.211 85.8-107.3 -59.4 154.7 6.8 40.3 22.8 117 233 A L S S+ 0 0 2 1,-0.1 -1,-0.1 32,-0.1 3,-0.1 -0.791 72.6 108.2 -90.8 127.5 6.2 36.8 21.6 118 234 A G + 0 0 35 1,-0.6 -1,-0.1 -2,-0.5 2,-0.1 0.243 61.9 49.5-156.6 -64.8 2.6 35.7 21.5 119 235 A T S > S- 0 0 50 1,-0.1 4,-2.3 4,-0.0 -1,-0.6 -0.452 86.5-102.6 -89.9 165.5 0.9 35.3 18.1 120 236 A A H > S+ 0 0 73 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.785 123.7 50.0 -54.8 -32.6 2.1 33.4 15.0 121 237 A V H > S+ 0 0 12 -57,-0.5 4,-1.6 2,-0.2 -1,-0.2 0.970 110.6 46.4 -69.7 -56.9 3.1 36.8 13.5 122 238 A Q H > S+ 0 0 24 -58,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.769 112.2 53.4 -56.1 -32.5 5.0 38.0 16.5 123 239 A D H X S+ 0 0 7 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1,-0.2 7,-0.2 0.858 113.7 45.6 -63.8 -38.6 10.4 33.4 27.4 154 270 A R H >< S+ 0 0 49 -4,-1.7 3,-1.3 1,-0.2 4,-0.2 0.862 108.6 56.0 -73.5 -37.5 12.1 32.4 30.7 155 271 A E H 3< S+ 0 0 144 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.836 121.4 29.2 -65.6 -35.5 9.1 33.5 32.8 156 272 A N T 3X S+ 0 0 38 -4,-1.7 4,-2.3 1,-0.1 3,-0.4 -0.335 84.4 135.9-115.6 49.8 6.8 31.2 30.8 157 273 A L H <> + 0 0 0 -3,-1.3 4,-2.4 1,-0.2 -1,-0.1 0.914 63.6 56.9 -63.2 -49.4 9.5 28.6 30.0 158 274 A N H 4 S+ 0 0 91 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.740 116.2 37.2 -60.1 -26.6 7.5 25.4 30.6 159 275 A Q H 4 S+ 0 0 72 -3,-0.4 4,-0.4 -6,-0.1 -1,-0.2 0.865 124.3 38.3 -87.6 -43.6 4.8 26.5 28.2 160 276 A Y H >< S+ 0 0 53 -4,-2.3 3,-1.3 -7,-0.2 7,-0.4 0.922 104.8 60.8 -79.7 -49.2 7.0 28.1 25.5 161 277 A A T 3< S+ 0 0 2 -4,-2.4 -1,-0.2 -8,-0.3 -3,-0.1 0.839 102.4 52.5 -51.8 -42.7 10.2 26.0 25.3 162 278 A P T 3 S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.771 92.1 92.3 -67.4 -23.1 8.3 22.8 24.2 163 279 A D S <> S- 0 0 70 -3,-1.3 4,-1.6 -4,-0.4 5,-0.2 -0.550 70.6-148.7 -72.0 132.1 6.7 24.8 21.4 164 280 A Y H > S+ 0 0 185 -2,-0.3 4,-3.3 3,-0.2 5,-0.3 0.950 93.6 45.1 -62.7 -52.1 8.6 24.5 18.2 165 281 A V H > S+ 0 0 61 2,-0.2 4,-2.2 1,-0.2 -1,-0.1 0.948 117.8 40.4 -62.6 -56.3 7.7 28.0 16.9 166 282 A K H > S+ 0 0 25 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.872 119.1 49.3 -60.4 -40.6 8.2 30.0 20.1 167 283 A G H X S+ 0 0 1 -4,-1.6 4,-2.3 -7,-0.4 3,-0.3 0.970 110.2 47.4 -63.2 -57.0 11.3 28.0 20.8 168 284 A T H X S+ 0 0 37 -4,-3.3 4,-3.2 1,-0.2 5,-0.3 0.867 106.9 61.4 -53.5 -39.7 12.9 28.4 17.4 169 285 A A H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.937 108.9 38.9 -52.7 -54.8 12.2 32.1 17.6 170 286 A V H X S+ 0 0 4 -4,-1.5 4,-2.2 -3,-0.3 5,-0.2 0.892 116.5 52.6 -66.2 -41.6 14.3 32.7 20.7 171 287 A N H X S+ 0 0 36 -4,-2.3 4,-3.8 1,-0.2 5,-0.3 0.965 109.7 46.9 -56.3 -56.4 17.0 30.4 19.5 172 288 A E H X S+ 0 0 43 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.809 109.7 56.4 -58.6 -32.8 17.3 32.1 16.1 173 289 A L H X S+ 0 0 0 -4,-1.6 4,-1.4 -5,-0.3 -1,-0.2 0.945 117.3 32.2 -63.9 -50.1 17.5 35.4 17.8 174 290 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.3 0.945 116.7 56.2 -73.1 -47.8 20.4 34.5 20.0 175 291 A K H X S+ 0 0 68 -4,-3.8 4,-1.4 1,-0.2 -3,-0.2 0.843 111.4 46.6 -51.1 -38.1 22.0 32.2 17.3 176 292 A G H X S+ 0 0 7 -4,-1.8 4,-1.8 -5,-0.3 -1,-0.2 0.851 109.3 50.0 -75.9 -40.1 22.0 35.1 14.9 177 293 A I H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -2,-0.2 0.877 113.0 48.1 -68.2 -39.2 23.4 37.8 17.2 178 294 A E H X S+ 0 0 37 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.890 108.2 56.8 -64.1 -40.8 26.3 35.5 18.2 179 295 A F H X S+ 0 0 129 -4,-1.4 4,-1.1 -5,-0.3 -2,-0.2 0.894 110.6 41.8 -58.3 -45.6 26.9 34.7 14.5 180 296 A D H X S+ 0 0 21 -4,-1.8 4,-2.0 2,-0.2 3,-0.2 0.935 117.4 47.4 -67.5 -47.5 27.4 38.4 13.6 181 297 A F H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.897 108.6 52.8 -61.1 -47.1 29.5 39.1 16.6 182 298 A S H < S+ 0 0 52 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.785 115.2 42.2 -63.6 -30.9 31.8 36.1 16.3 183 299 A G H >< S+ 0 0 49 -4,-1.1 3,-1.3 -5,-0.2 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-8,-0.0 -0.477 72.0-132.3 -77.3 138.2 34.5 45.8 20.0 194 310 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.1 0, 0.0 -55,-0.1 0.632 107.7 48.8 -62.0 -17.9 32.0 48.7 20.5 195 311 A W T >> S+ 0 0 16 -55,-0.1 3,-2.5 -56,-0.1 4,-0.7 0.724 80.9 121.9 -92.0 -26.1 29.6 46.4 22.4 196 312 A Y T <4 S+ 0 0 82 -3,-0.7 41,-0.2 1,-0.3 40,-0.1 -0.075 83.8 5.3 -44.1 123.8 32.2 45.0 24.8 197 313 A G T 34 S+ 0 0 25 39,-2.4 -1,-0.3 1,-0.1 3,-0.2 0.251 117.4 76.4 86.6 -12.1 31.3 45.6 28.4 198 314 A K T <4 S+ 0 0 53 -3,-2.5 -2,-0.2 1,-0.1 39,-0.1 0.516 72.6 79.2-104.3 -9.2 27.9 47.2 27.7 199 315 A I >X + 0 0 0 -4,-0.7 4,-2.7 37,-0.6 3,-1.3 0.372 57.1 119.3 -82.9 4.9 26.1 43.9 27.0 200 316 A D H 3> + 0 0 65 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.769 69.8 52.1 -39.9 -46.4 25.8 43.2 30.7 201 317 A P H 3> S+ 0 0 71 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.854 115.7 40.4 -65.8 -33.8 21.9 43.1 30.8 202 318 A F H <> S+ 0 0 0 -3,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.887 114.8 51.9 -77.5 -44.0 21.7 40.5 27.9 203 319 A I H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 3,-0.3 0.901 113.3 45.5 -55.4 -45.5 24.7 38.6 29.3 204 320 A N H X S+ 0 0 82 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.708 105.8 60.9 -71.4 -22.4 22.9 38.5 32.7 205 321 A E H X S+ 0 0 18 -4,-0.6 4,-1.4 1,-0.2 -2,-0.2 0.819 103.7 50.1 -72.1 -31.0 19.6 37.5 30.8 206 322 A L H X S+ 0 0 0 -4,-1.5 4,-3.0 -3,-0.3 -2,-0.2 0.784 103.9 59.7 -76.7 -31.1 21.4 34.4 29.6 207 323 A K H X S+ 0 0 39 -4,-1.1 4,-3.7 2,-0.2 -2,-0.2 0.982 105.5 47.6 -53.2 -61.4 22.5 33.5 33.1 208 324 A A H < S+ 0 0 38 -4,-1.5 -2,-0.2 1,-0.2 -1,-0.2 0.861 116.8 43.0 -50.2 -47.0 18.9 33.4 34.4 209 325 A L H >< S+ 0 0 2 -4,-1.4 3,-1.0 1,-0.2 -1,-0.2 0.932 118.7 44.1 -64.8 -48.9 17.8 31.2 31.4 210 326 A G H 3< S+ 0 0 0 -4,-3.0 3,-0.4 16,-0.3 -2,-0.2 0.816 116.2 46.8 -67.9 -34.0 20.9 29.0 31.6 211 327 A L T 3< S+ 0 0 46 -4,-3.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.188 71.7 124.5-103.3 40.0 20.8 28.6 35.4 212 328 A Y < - 0 0 69 -3,-1.0 2,-2.3 1,-0.2 -1,-0.2 0.779 42.5-175.5 -68.4 -30.0 17.1 27.9 35.6 213 329 A G + 0 0 15 -3,-0.4 2,-2.3 -4,-0.1 -1,-0.2 -0.401 59.3 81.3 73.6 -73.9 17.8 24.6 37.5 214 330 A N + 0 0 144 -2,-2.3 2,-0.2 -3,-0.1 -1,-0.1 -0.430 69.4 156.9 -69.8 78.3 14.3 23.2 37.7 215 331 A I - 0 0 43 -2,-2.3 2,-0.2 3,-0.0 5,-0.0 -0.685 27.4-160.4-107.5 157.2 14.3 21.7 34.2 216 332 A T >> - 0 0 79 -2,-0.2 4,-0.9 1,-0.0 3,-0.6 -0.653 42.6 -89.2-121.5-178.1 12.3 18.9 32.5 217 333 A S T 34 S+ 0 0 124 1,-0.2 4,-0.3 -2,-0.2 3,-0.3 0.845 126.6 49.7 -59.2 -35.7 12.8 16.8 29.4 218 334 A A T 34 S+ 0 0 46 1,-0.2 -1,-0.2 2,-0.1 4,-0.1 0.676 118.0 36.6 -80.0 -19.5 10.9 19.3 27.3 219 335 A T T <> S+ 0 0 0 -3,-0.6 4,-1.3 2,-0.1 -1,-0.2 0.350 84.8 96.2-118.1 3.3 12.9 22.4 28.6 220 336 A E H X S+ 0 0 53 -4,-0.9 4,-2.4 -3,-0.3 3,-0.4 0.928 82.8 54.5 -64.0 -45.9 16.5 21.2 29.0 221 337 A W H > S+ 0 0 94 -4,-0.3 4,-3.3 1,-0.2 -1,-0.2 0.849 103.7 57.1 -55.3 -38.1 17.7 22.4 25.6 222 338 A A H > S+ 0 0 2 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.887 111.8 40.4 -64.6 -40.9 16.4 25.9 26.3 223 339 A S H X S+ 0 0 0 -4,-1.3 4,-1.9 -3,-0.4 -1,-0.2 0.803 112.7 57.6 -74.8 -31.0 18.6 26.1 29.4 224 340 A D H X S+ 0 0 37 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.947 105.1 49.6 -60.8 -51.9 21.4 24.4 27.5 225 341 A V H X S+ 0 0 21 -4,-3.3 4,-3.0 1,-0.2 5,-0.3 0.923 107.8 56.9 -47.7 -49.7 21.2 27.2 24.9 226 342 A G H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -16,-0.3 0.883 110.7 41.3 -51.8 -47.3 21.4 29.6 27.8 227 343 A I H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.935 114.7 49.8 -71.2 -47.8 24.7 28.2 29.1 228 344 A Y H X S+ 0 0 82 -4,-2.7 4,-1.9 1,-0.2 3,-0.3 0.946 118.1 39.5 -55.2 -52.7 26.4 27.7 25.8 229 345 A Y H X S+ 0 0 24 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.698 107.4 64.5 -75.4 -19.4 25.6 31.3 24.7 230 346 A L H X S+ 0 0 0 -4,-1.3 4,-1.1 -5,-0.3 -1,-0.2 0.897 107.0 44.0 -64.2 -41.9 26.4 32.6 28.2 231 347 A S H < S+ 0 0 0 -4,-1.9 4,-0.3 -3,-0.3 3,-0.2 0.966 115.0 47.7 -62.8 -54.2 29.9 31.4 27.7 232 348 A K H < S+ 0 0 47 -4,-1.9 3,-0.3 1,-0.3 -2,-0.2 0.775 119.0 39.0 -64.1 -31.8 30.1 32.8 24.1 233 349 A F H >< S+ 0 0 1 -4,-2.1 3,-1.9 1,-0.2 -1,-0.3 0.628 98.9 78.4 -88.8 -17.3 28.7 36.2 25.1 234 350 A G G >< S+ 0 0 3 -4,-1.1 3,-0.9 1,-0.3 -2,-0.2 0.531 75.8 76.7 -67.6 -6.2 30.6 36.1 28.4 235 351 A L G 3 S+ 0 0 64 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.407 91.4 55.7 -81.2 0.5 33.6 37.2 26.2 236 352 A Y G < S+ 0 0 16 -3,-1.9 -39,-2.4 -40,-0.1 -37,-0.6 0.017 87.5 92.8-121.7 23.9 32.0 40.6 26.2 237 353 A S < - 0 0 11 -3,-0.9 6,-0.1 -41,-0.2 -41,-0.1 -0.974 68.1-144.4-114.5 133.0 31.8 41.1 30.0 238 354 A T S S+ 0 0 96 -2,-0.4 2,-1.3 1,-0.1 3,-0.2 0.890 90.1 74.6 -62.0 -41.2 34.7 42.8 31.8 239 355 A N > + 0 0 84 1,-0.2 4,-0.9 2,-0.1 -1,-0.1 -0.637 60.5 174.5 -76.1 96.8 34.2 40.5 34.8 240 356 A R H >> S+ 0 0 81 -2,-1.3 4,-1.8 1,-0.2 3,-0.6 0.926 76.4 51.0 -68.2 -48.4 35.8 37.3 33.4 241 357 A N H 3> S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.742 101.0 63.9 -65.2 -26.5 35.6 35.3 36.7 242 358 A D H 3> S+ 0 0 45 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.894 107.1 43.2 -61.1 -42.0 31.9 36.2 37.1 243 359 A I H < S- 0 0 22 -4,-1.5 3,-2.3 -5,-0.1 6,-0.5 -0.087 88.4-173.3-112.0 32.6 22.9 19.4 36.6 255 371 A K T 3 S+ 0 0 84 -3,-0.5 -3,-0.1 1,-0.3 3,-0.1 0.065 72.6 4.4 -40.0 124.2 26.0 17.3 37.6 256 372 A Y T 3 S+ 0 0 36 1,-0.3 -1,-0.3 -5,-0.1 2,-0.2 0.630 108.3 110.8 66.3 20.9 26.4 14.4 35.1 257 373 A G S X> S- 0 0 16 -3,-2.3 4,-1.2 -6,-0.2 3,-0.5 -0.593 88.6 -87.5-103.9 177.1 23.5 15.6 32.9 258 374 A K H >> S+ 0 0 62 1,-0.2 4,-1.6 -2,-0.2 3,-1.0 0.926 125.1 51.0 -50.4 -56.0 23.8 17.0 29.4 259 375 A I H 3> S+ 0 0 0 1,-0.3 4,-3.2 2,-0.2 -1,-0.2 0.794 101.7 63.2 -58.2 -31.4 24.3 20.7 30.4 260 376 A A H <> S+ 0 0 0 -3,-0.5 4,-1.8 -6,-0.5 -1,-0.3 0.905 105.9 44.4 -59.5 -42.4 27.1 19.7 32.8 261 377 A F H S+ 0 0 19 -4,-2.3 4,-1.8 1,-0.2 5,-0.7 0.844 106.6 49.4 -67.8 -35.3 32.7 25.9 27.5 267 383 A I H X5S+ 0 0 1 -4,-1.4 6,-2.5 3,-0.2 4,-0.6 0.874 116.3 41.4 -72.0 -37.8 35.4 26.4 30.2 268 384 A T H <5S+ 0 0 33 -4,-1.6 -2,-0.2 4,-0.2 4,-0.2 0.837 123.9 35.2 -79.8 -33.7 38.0 24.4 28.4 269 385 A W H <5S+ 0 0 186 -4,-2.2 -3,-0.2 -5,-0.2 -2,-0.2 0.809 130.3 27.1 -92.5 -34.3 37.3 25.8 24.8 270 386 A D H <5S+ 0 0 24 -4,-1.8 -3,-0.2 -5,-0.3 -2,-0.1 0.729 131.7 33.9 -99.6 -28.2 36.4 29.4 25.5 271 387 A Y S >< - 0 0 0 4,-2.2 3,-1.1 -2,-0.5 -30,-0.1 -0.057 31.7 -90.8 -77.4 179.2 38.4 28.2 36.5 276 392 A S T 3 S+ 0 0 32 1,-0.3 -31,-0.1 -32,-0.2 -35,-0.1 0.806 126.1 58.6 -61.0 -30.5 37.0 31.1 38.5 277 393 A N T 3 S- 0 0 122 2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.722 116.6-114.1 -72.7 -22.7 39.7 30.5 41.2 278 394 A G S < S+ 0 0 50 -3,-1.1 2,-0.3 1,-0.4 -2,-0.1 0.343 81.4 103.9 106.0 -5.5 42.5 31.0 38.6 279 395 A K S S- 0 0 56 1,-0.1 -4,-2.2 -5,-0.0 -1,-0.4 -0.745 81.9 -87.3-104.4 158.4 43.9 27.4 38.5 280 396 A K B -B 274 0B 104 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.2 -0.423 39.3-130.7 -68.9 128.6 43.3 24.9 35.7 281 397 A V - 0 0 43 -8,-2.6 2,-1.2 -2,-0.2 3,-0.2 -0.554 21.7-116.2 -76.7 144.6 40.2 22.7 36.1 282 398 A D > + 0 0 97 -2,-0.2 4,-1.6 1,-0.2 5,-0.1 -0.704 33.9 176.4 -86.5 96.0 40.7 18.9 35.6 283 399 A H H > S+ 0 0 55 -2,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.878 82.1 51.8 -63.4 -39.6 38.7 18.0 32.5 284 400 A D H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.891 107.3 50.5 -66.3 -43.6 39.9 14.4 32.8 285 401 A K H > S+ 0 0 77 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.862 109.1 53.2 -63.2 -37.6 38.9 14.0 36.4 286 402 A F H X S+ 0 0 23 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.941 110.2 45.7 -62.0 -49.5 35.4 15.3 35.6 287 403 A L H X S+ 0 0 33 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.856 113.6 51.3 -61.6 -36.4 35.0 12.8 32.8 288 404 A D H X S+ 0 0 87 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.910 111.0 46.2 -67.0 -44.0 36.3 10.1 35.2 289 405 A D H X S+ 0 0 70 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.824 110.2 55.4 -66.0 -33.0 33.9 11.1 37.9 290 406 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.878 108.3 47.7 -66.3 -39.2 31.1 11.2 35.3 291 407 A E H X S+ 0 0 19 -4,-1.7 4,-3.1 2,-0.2 -2,-0.2 0.915 108.2 53.4 -68.5 -46.1 31.9 7.6 34.3 292 408 A K H < S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.842 106.9 55.0 -58.0 -35.8 32.0 6.3 37.9 293 409 A H H < S+ 0 0 102 -4,-1.6 19,-0.3 1,-0.2 -1,-0.2 0.937 117.0 33.5 -60.5 -50.7 28.5 7.9 38.4 294 410 A Y H < S+ 0 0 17 -4,-1.6 64,-0.3 1,-0.3 -2,-0.2 0.754 128.7 38.9 -81.0 -26.6 27.0 6.0 35.5 295 411 A L < + 0 0 0 -4,-3.1 -1,-0.3 16,-0.2 16,-0.2 -0.600 68.8 146.7-121.7 69.0 29.2 2.8 36.0 296 412 A P + 0 0 62 0, 0.0 2,-0.2 0, 0.0 15,-0.2 0.886 53.2 72.1 -73.1 -38.9 29.4 2.4 39.8 297 413 A K E -C 310 0C 58 13,-1.6 13,-2.0 -3,-0.1 2,-0.4 -0.527 61.7-165.5 -84.3 143.1 29.5 -1.4 39.9 298 414 A T E -C 309 0C 63 11,-0.2 2,-0.4 -2,-0.2 11,-0.2 -0.992 4.1-171.5-127.2 136.6 32.6 -3.4 38.9 299 415 A Y E -C 308 0C 15 9,-2.3 9,-3.1 -2,-0.4 2,-0.5 -0.995 8.1-160.4-131.0 128.6 32.7 -7.2 38.2 300 416 A T E +C 307 0C 50 -2,-0.4 295,-2.3 7,-0.2 2,-0.3 -0.929 12.4 173.4-120.7 127.5 36.0 -9.0 37.6 301 417 A F E >> +C 306 0C 0 5,-2.8 4,-1.7 -2,-0.5 5,-1.5 -0.888 55.0 21.8-129.2 158.5 36.5 -12.4 35.9 302 418 A D T 45S- 0 0 10 -2,-0.3 3,-0.3 1,-0.2 292,-0.2 0.912 131.5 -48.1 55.0 54.3 39.3 -14.6 34.8 303 419 A N T 45S- 0 0 102 290,-2.5 -1,-0.2 1,-0.2 291,-0.1 0.848 111.6 -51.5 55.6 39.8 42.1 -13.1 37.0 304 420 A G T 45S+ 0 0 27 289,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.844 115.4 109.0 69.1 36.6 41.1 -9.5 36.0 305 421 A T T <5S+ 0 0 59 -4,-1.7 47,-2.4 -3,-0.3 2,-0.3 0.306 77.0 50.3-116.5 1.3 41.2 -10.0 32.3 306 422 A F E - 0 0 0 45,-2.3 3,-1.8 -2,-0.3 -16,-0.2 -0.317 42.7-108.0 -68.1 153.9 25.4 0.7 36.0 312 428 A D T 3 S+ 0 0 109 -19,-0.3 -1,-0.1 1,-0.3 -17,-0.1 0.583 115.2 56.7 -59.2 -11.2 23.8 0.2 39.4 313 429 A K T 3 S+ 0 0 93 2,-0.1 2,-0.6 78,-0.0 -1,-0.3 0.248 77.8 102.6-111.2 11.0 20.6 -1.2 37.9 314 430 A V S < S- 0 0 7 -3,-1.8 5,-0.1 42,-0.1 -4,-0.1 -0.879 77.5-110.3-100.1 123.8 22.0 -4.2 35.9 315 431 A S > - 0 0 57 -2,-0.6 4,-1.9 1,-0.1 5,-0.1 -0.079 4.9-139.1 -55.0 138.9 21.4 -7.6 37.5 316 432 A E H > S+ 0 0 103 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.896 109.3 61.1 -60.1 -40.4 24.3 -9.6 39.0 317 433 A E H > S+ 0 0 96 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 104.7 47.2 -49.7 -46.6 22.4 -12.5 37.4 318 434 A K H > S+ 0 0 51 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.901 108.8 54.0 -63.8 -43.4 22.9 -10.9 34.0 319 435 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.957 111.0 46.1 -54.8 -52.5 26.6 -10.2 34.6 320 436 A K H X S+ 0 0 60 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.906 111.9 51.6 -56.3 -46.3 27.1 -13.9 35.4 321 437 A R H X S+ 0 0 32 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.877 108.0 52.1 -58.7 -41.8 25.1 -14.9 32.3 322 438 A L H X S+ 0 0 0 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.862 107.5 52.4 -66.2 -37.8 27.2 -12.6 30.1 323 439 A Y H >X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 3,-0.8 0.994 112.6 43.7 -57.2 -60.8 30.4 -14.2 31.4 324 440 A W H 3X S+ 0 0 4 -4,-2.2 4,-1.3 1,-0.3 -2,-0.2 0.784 109.6 57.9 -57.4 -31.8 29.2 -17.7 30.7 325 441 A A H 3X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.870 100.0 57.3 -67.0 -37.6 27.9 -16.6 27.3 326 442 A S H S- 0 0 79 72,-0.3 3,-0.6 77,-0.1 2,-0.3 -0.953 79.5-113.3-133.0 147.2 50.0 -10.2 18.8 345 461 A V T 3 S- 0 0 153 -2,-0.3 -2,-0.0 1,-0.2 5,-0.0 -0.534 87.8 -3.8 -81.6 133.2 52.0 -9.8 22.0 346 462 A G T 3 S+ 0 0 58 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.831 84.1 160.7 61.0 39.5 51.0 -7.3 24.7 347 463 A N X - 0 0 56 -3,-0.6 3,-1.5 1,-0.1 -1,-0.1 -0.371 55.3-105.4 -83.2 169.6 48.0 -5.7 23.0 348 464 A A G > S+ 0 0 43 1,-0.3 3,-1.2 2,-0.1 -1,-0.1 0.749 116.2 67.5 -66.9 -24.6 45.2 -3.8 24.7 349 465 A D G 3 S+ 0 0 5 1,-0.3 -1,-0.3 33,-0.1 3,-0.2 0.368 70.1 93.9 -78.8 5.3 42.8 -6.8 24.2 350 466 A D G < S+ 0 0 67 -3,-1.5 2,-0.4 1,-0.3 -1,-0.3 0.734 97.8 34.7 -65.0 -21.5 44.9 -8.8 26.7 351 467 A V S < S- 0 0 58 -3,-1.2 2,-0.6 -4,-0.1 -1,-0.3 -0.964 85.0-151.5-133.4 114.1 42.3 -7.4 29.1 352 468 A L E -d 306 0C 2 -47,-2.4 -45,-2.4 -2,-0.4 2,-0.4 -0.780 9.8-165.6 -89.5 123.1 38.7 -7.0 27.8 353 469 A T E -de 307 386C 31 32,-2.1 34,-1.9 -2,-0.6 2,-0.5 -0.909 0.6-166.0-105.4 135.2 36.7 -4.3 29.5 354 470 A M E -de 308 387C 0 -47,-3.2 -45,-2.2 -2,-0.4 2,-0.6 -0.980 1.1-164.3-125.6 119.7 32.9 -4.2 29.0 355 471 A K E -de 309 388C 22 32,-1.9 34,-2.2 -2,-0.5 2,-0.6 -0.910 6.8-174.8-108.6 117.6 31.0 -1.1 30.0 356 472 A I E -de 310 389C 0 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<4 S+ 0 0 81 -3,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.868 126.9 2.7 -78.8 -40.5 13.5 -0.6 23.5 397 513 A S < - 0 0 9 -4,-1.6 -1,-0.3 1,-0.1 -5,-0.0 -0.996 55.0-136.0-147.7 149.4 15.1 -3.2 21.3 398 514 A I S S+ 0 0 91 -2,-0.3 2,-0.5 -3,-0.1 61,-0.1 0.685 92.3 73.8 -73.5 -19.8 14.3 -6.6 19.8 399 515 A F S S- 0 0 2 277,-0.1 2,-0.0 60,-0.0 -3,-0.0 -0.854 79.8-136.4-101.2 129.6 17.8 -7.8 20.8 400 516 A S > - 0 0 40 -2,-0.5 4,-2.3 1,-0.1 5,-0.3 -0.257 28.5-101.6 -78.3 167.8 18.5 -8.6 24.5 401 517 A L H > S+ 0 0 0 -9,-0.3 4,-2.1 1,-0.2 5,-0.1 0.875 123.5 48.7 -58.5 -40.5 21.6 -7.6 26.4 402 518 A E H > S+ 0 0 8 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.937 109.8 52.3 -63.9 -47.6 23.1 -11.2 26.1 403 519 A E H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.881 114.9 40.2 -56.2 -45.9 22.3 -11.3 22.3 404 520 A L H X S+ 0 0 3 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.831 111.5 57.1 -76.7 -32.6 24.1 -8.1 21.6 405 521 A F H X S+ 0 0 0 -4,-2.1 4,-2.6 -5,-0.3 -2,-0.2 0.893 108.5 49.0 -58.7 -39.9 26.9 -8.9 24.0 406 522 A R H X S+ 0 0 0 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53 1,-0.1 3,-1.1 -2,-0.1 2,-0.3 -0.210 74.8 -89.4 -66.5 156.1 44.6 -3.5 13.8 423 539 A W T 3 S+ 0 0 122 1,-0.2 -1,-0.1 6,-0.0 3,-0.1 -0.522 110.0 9.9 -73.6 127.9 40.9 -3.8 13.0 424 540 A G T 3 S+ 0 0 28 -2,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.209 113.2 89.4 91.3 -13.7 39.9 -1.9 9.8 425 541 A Q < + 0 0 140 -3,-1.1 -1,-0.1 3,-0.0 3,-0.1 -0.969 64.9 58.1-121.9 118.6 43.5 -1.3 8.8 426 542 A G S >> S- 0 0 32 -2,-0.5 3,-2.3 1,-0.1 4,-1.2 -0.836 97.3 -55.8 150.3 174.7 45.4 -3.8 6.7 427 543 A P H 3> S+ 0 0 62 0, 0.0 4,-0.7 0, 0.0 3,-0.2 0.816 125.5 63.5 -50.0 -36.6 45.5 -5.7 3.4 428 544 A F H 34 S+ 0 0 6 1,-0.2 6,-0.7 2,-0.1 5,-0.4 0.299 111.8 36.8 -75.8 12.5 42.0 -7.0 4.1 429 545 A Y H <4 S+ 0 0 54 -3,-2.3 -1,-0.2 3,-0.1 -4,-0.0 0.498 85.5 91.2-134.7 -18.5 40.7 -3.4 4.0 430 546 A E H < S+ 0 0 165 -4,-1.2 2,-0.3 -3,-0.2 -2,-0.1 0.864 108.9 21.2 -46.1 -42.2 42.8 -1.8 1.2 431 547 A K S < S- 0 0 147 -4,-0.7 2,-0.5 0, 0.0 0, 0.0 -0.844 110.7 -85.6-116.7 163.1 39.9 -3.0 -0.9 432 548 A N S S+ 0 0 85 -2,-0.3 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-1,-0.2 0.968 106.5 41.8 -70.0 -55.8 29.2 -11.9 14.1 443 559 A E H < S+ 0 0 3 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.872 119.2 50.8 -55.6 -37.4 25.4 -12.3 14.0 444 560 A F H >< S+ 0 0 0 -4,-2.0 3,-2.4 -5,-0.2 -2,-0.2 0.968 108.7 45.9 -64.0 -59.6 26.1 -16.0 13.2 445 561 A F H >< S+ 0 0 1 -4,-3.0 3,-1.7 1,-0.3 -1,-0.2 0.696 98.1 73.5 -62.9 -20.3 28.5 -16.7 16.1 446 562 A A T 3< S+ 0 0 1 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.538 87.5 66.1 -67.1 -7.2 26.1 -15.0 18.4 447 563 A G T < S+ 0 0 0 -3,-2.4 8,-2.2 -5,-0.1 -1,-0.3 0.215 76.1 139.3 -96.1 13.0 24.0 -18.1 17.9 448 564 A S B < -G 454 0D 0 -3,-1.7 2,-0.2 6,-0.2 6,-0.2 -0.156 30.8-169.8 -57.5 149.7 26.6 -20.3 19.7 449 565 A T - 0 0 19 4,-1.5 4,-0.1 -121,-0.3 -117,-0.1 -0.769 31.9-112.0-130.2 178.3 25.4 -23.0 22.0 450 566 A R S S- 0 0 35 -2,-0.2 195,-0.3 1,-0.1 -1,-0.1 0.929 106.3 -1.3 -78.1 -47.6 27.1 -25.3 24.6 451 567 A T S S+ 0 0 24 193,-0.1 179,-0.1 1,-0.1 3,-0.1 0.335 121.6 68.1-128.8 3.1 26.6 -28.6 22.8 452 568 A S S S- 0 0 67 1,-0.4 2,-0.1 3,-0.0 -2,-0.1 0.142 89.4-131.2-114.6 19.0 24.8 -28.0 19.6 453 569 A G - 0 0 5 -4,-0.1 -4,-1.5 169,-0.1 2,-0.5 -0.450 65.1 -18.3 65.1-136.7 27.4 -26.0 17.6 454 570 A V B -G 448 0D 7 -6,-0.2 -6,-0.2 -2,-0.1 -9,-0.1 -0.901 69.1-169.5-108.9 131.2 26.0 -22.8 16.1 455 571 A L - 0 0 74 -8,-2.2 -2,-0.0 -2,-0.5 98,-0.0 -0.878 27.6 -96.2-122.3 149.8 22.3 -22.4 15.6 456 572 A P - 0 0 15 0, 0.0 98,-0.5 0, 0.0 2,-0.5 -0.252 35.9-124.0 -60.4 148.2 20.1 -19.9 13.8 457 573 A R B >> -h 554 0E 3 1,-0.1 4,-2.1 98,-0.1 3,-0.7 -0.855 9.7-138.6 -99.3 128.9 18.6 -16.9 15.7 458 574 A K H 3> S+ 0 0 62 96,-1.7 4,-2.1 -2,-0.5 -1,-0.1 0.866 102.0 50.5 -53.8 -44.4 14.8 -16.5 15.6 459 575 A L H 3> S+ 0 0 38 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.798 109.2 51.0 -67.4 -31.4 14.9 -12.7 15.2 460 576 A I H <> S+ 0 0 0 -3,-0.7 4,-1.2 2,-0.2 -1,-0.2 0.873 112.3 45.5 -74.0 -37.9 17.5 -12.9 12.3 461 577 A L H X S+ 0 0 0 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.830 107.0 62.8 -68.4 -32.7 15.3 -15.4 10.5 462 578 A G H >< S+ 0 0 24 -4,-2.1 3,-0.8 -5,-0.3 -2,-0.2 0.932 102.2 48.4 -51.6 -50.8 12.5 -13.0 11.5 463 579 A Y H 3< S+ 0 0 76 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.827 103.0 61.5 -59.7 -35.4 14.2 -10.3 9.3 464 580 A L H 3< S+ 0 0 0 -4,-1.2 2,-1.7 1,-0.1 -1,-0.2 0.770 81.1 90.4 -69.9 -24.8 14.5 -12.7 6.4 465 581 A A << + 0 0 62 -4,-1.2 2,-0.3 -3,-0.8 -1,-0.1 -0.592 66.4 101.4 -70.6 86.5 10.7 -13.0 6.3 466 582 A K S S- 0 0 60 -2,-1.7 6,-0.1 0, 0.0 -3,-0.0 -0.926 84.3 -37.7-164.4 158.2 10.1 -10.1 3.8 467 583 A D - 0 0 59 -2,-0.3 5,-0.3 1,-0.1 -2,-0.0 0.255 44.6-157.7 -31.2 122.8 9.4 -9.9 0.1 468 584 A K > + 0 0 72 3,-0.1 4,-0.5 4,-0.0 2,-0.3 0.816 65.7 98.6 -72.8 -35.5 11.3 -12.6 -2.0 469 585 A V T 4 S- 0 0 123 2,-0.1 2,-0.0 0, 0.0 -2,-0.0 -0.440 110.8 -40.7 -63.2 115.7 11.1 -10.7 -5.3 470 586 A D T 4 S+ 0 0 75 -2,-0.3 2,-4.9 1,-0.2 0, 0.0 -0.393 117.1 88.5 54.0-138.3 14.5 -9.0 -5.5 471 587 A H T 4 + 0 0 109 -2,-0.0 2,-0.4 1,-0.0 -1,-0.2 -0.104 68.3 95.3 51.7 -58.2 15.4 -7.7 -2.0 472 588 A R S < S- 0 0 30 -2,-4.9 -2,-0.1 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