==== 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 11-JAN-11 2Y50 . COMPND 2 MOLECULE: COLLAGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM HISTOLYTICUM; . AUTHOR U.ECKHARD,H.BRANDSTETTER . 672 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28855.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 479 71.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.1 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 . 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 . 32 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 78 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 291 43.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 6 1 0 1 1 3 0 3 1 3 2 1 2 3 0 1 0 1 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 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 0 1 1 0 2 0 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 0 139 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 11.7 -2.4 35.6 9.1 2 118 A M - 0 0 107 26,-0.1 2,-0.3 27,-0.0 26,-0.2 -0.940 360.0-158.1-110.8 118.0 -6.1 34.7 9.8 3 119 A Y B -a 28 0A 52 24,-2.3 26,-3.2 -2,-0.6 2,-0.3 -0.659 6.7-153.9-104.0 147.8 -8.4 37.7 10.3 4 120 A D >> - 0 0 91 -2,-0.3 4,-1.6 24,-0.2 3,-1.3 -0.799 27.2-119.8-113.1 158.0 -11.8 38.1 12.0 5 121 A F H 3> S+ 0 0 11 24,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.855 111.8 64.1 -61.6 -39.1 -14.6 40.7 11.3 6 122 A E H 34 S+ 0 0 97 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.557 109.4 42.3 -64.4 -7.9 -14.3 42.0 14.9 7 123 A Y H <> S+ 0 0 130 -3,-1.3 4,-0.6 2,-0.1 3,-0.5 0.750 112.7 50.2-100.7 -39.7 -10.8 43.1 13.9 8 124 A L H >< S+ 0 0 6 -4,-1.6 3,-0.5 1,-0.2 -2,-0.2 0.801 102.9 60.6 -71.7 -31.4 -11.6 44.4 10.4 9 125 A N T 3< S+ 0 0 30 -4,-2.5 -1,-0.2 1,-0.2 -3,-0.1 0.741 102.1 53.0 -69.1 -24.7 -14.5 46.6 11.6 10 126 A G T 34 S+ 0 0 72 -3,-0.5 -1,-0.2 -5,-0.2 -2,-0.2 0.662 92.5 92.8 -84.2 -20.1 -12.1 48.6 13.9 11 127 A L S << S- 0 0 23 -4,-0.6 2,-0.1 -3,-0.5 -3,-0.0 -0.367 84.2-107.4 -70.5 152.1 -9.7 49.4 11.1 12 128 A S > - 0 0 59 1,-0.1 4,-3.0 -2,-0.1 5,-0.1 -0.374 29.6-113.7 -68.6 159.5 -10.0 52.6 9.0 13 129 A Y H > S+ 0 0 74 2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.915 119.0 53.3 -62.8 -42.1 -11.2 52.2 5.5 14 130 A T H > S+ 0 0 116 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.879 114.0 42.3 -59.8 -40.7 -7.8 53.3 4.2 15 131 A E H > S+ 0 0 110 2,-0.2 4,-1.9 3,-0.1 -2,-0.2 0.899 116.1 49.4 -71.0 -43.1 -6.1 50.6 6.3 16 132 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 5,-0.2 0.946 110.6 46.6 -63.4 -55.0 -8.8 48.0 5.5 17 133 A T H X S+ 0 0 23 -4,-3.1 4,-1.9 1,-0.2 -1,-0.2 0.923 112.5 51.8 -55.3 -47.4 -8.7 48.4 1.7 18 134 A N H X S+ 0 0 93 -4,-1.3 4,-0.5 -5,-0.3 -1,-0.2 0.893 110.0 50.0 -55.6 -42.8 -4.9 48.3 1.7 19 135 A L H >< S+ 0 0 29 -4,-1.9 3,-1.8 1,-0.2 -2,-0.2 0.956 108.0 51.4 -61.0 -53.5 -5.0 45.1 3.7 20 136 A I H >< S+ 0 0 8 -4,-2.6 3,-1.5 1,-0.3 -1,-0.2 0.854 99.2 67.8 -50.5 -39.7 -7.5 43.3 1.4 21 137 A K H 3< S+ 0 0 63 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.727 110.5 32.6 -56.3 -27.2 -5.2 44.2 -1.6 22 138 A N T << S+ 0 0 102 -3,-1.8 2,-0.3 -4,-0.5 -1,-0.3 -0.075 106.6 74.0-130.2 36.4 -2.5 41.9 -0.3 23 139 A I S < S- 0 0 14 -3,-1.5 2,-0.3 46,-0.1 49,-0.2 -0.934 77.9-109.5-133.2 163.5 -4.4 39.0 1.4 24 140 A K > - 0 0 58 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.696 27.9-118.1 -92.5 148.3 -6.3 36.0 0.0 25 141 A W G > S+ 0 0 87 -2,-0.3 3,-1.0 1,-0.3 6,-0.2 0.759 111.8 59.4 -57.1 -30.4 -10.1 35.9 0.4 26 142 A N G 3 S+ 0 0 92 1,-0.2 -1,-0.3 4,-0.1 4,-0.1 0.618 87.4 74.7 -76.7 -13.4 -10.0 32.7 2.5 27 143 A Q G < S+ 0 0 40 -3,-2.1 -24,-2.3 -25,-0.1 2,-0.7 0.673 79.1 86.7 -70.5 -18.9 -7.8 34.4 5.1 28 144 A I B X S-a 3 0A 11 -3,-1.0 3,-1.1 -4,-0.3 2,-0.4 -0.778 84.8-132.3 -83.7 115.2 -11.0 36.2 6.3 29 145 A N T 3 S- 0 0 67 -26,-3.2 -24,-0.4 -2,-0.7 -2,-0.1 -0.567 82.6 -2.5 -74.7 122.3 -12.7 33.9 8.8 30 146 A G T 3 S+ 0 0 23 -2,-0.4 -1,-0.2 -4,-0.1 3,-0.2 0.812 79.8 154.4 68.8 33.9 -16.4 33.4 8.2 31 147 A L S < S+ 0 0 6 -3,-1.1 -2,-0.1 1,-0.2 4,-0.1 0.883 79.8 32.9 -58.1 -45.2 -16.5 35.8 5.2 32 148 A F S S+ 0 0 48 2,-0.1 2,-0.3 50,-0.1 -1,-0.2 0.476 103.8 98.3 -91.9 -4.4 -19.5 34.1 3.6 33 149 A N S S- 0 0 108 -3,-0.2 2,-0.7 1,-0.0 5,-0.1 -0.664 79.8-121.0 -84.9 138.2 -21.0 33.3 7.0 34 150 A Y + 0 0 103 -2,-0.3 2,-0.2 4,-0.1 -2,-0.1 -0.718 48.5 156.4 -83.7 113.1 -23.6 35.6 8.5 35 151 A S > - 0 0 42 -2,-0.7 4,-2.5 -5,-0.1 5,-0.1 -0.708 60.1-108.1-125.3 173.1 -22.4 37.0 11.8 36 152 A T H > S+ 0 0 137 -2,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.813 128.4 47.2 -68.5 -32.4 -23.0 40.0 14.1 37 153 A G H > S+ 0 0 14 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.856 112.1 48.6 -72.9 -39.3 -19.5 41.0 12.8 38 154 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.929 110.2 50.9 -65.1 -47.6 -20.5 40.3 9.2 39 155 A Q H X S+ 0 0 53 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.888 114.0 45.6 -55.7 -42.0 -23.8 42.2 9.5 40 156 A K H X S+ 0 0 116 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.856 111.7 52.1 -71.3 -38.6 -21.8 45.2 10.9 41 157 A F H >< S+ 0 0 3 -4,-2.2 3,-0.7 1,-0.2 -2,-0.2 0.958 120.5 30.5 -62.1 -56.1 -19.0 44.9 8.3 42 158 A F H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.579 106.9 74.9 -83.5 -11.7 -21.4 45.0 5.2 43 159 A G H 3< S+ 0 0 33 -4,-1.0 2,-1.0 -5,-0.3 -1,-0.2 0.683 75.6 90.0 -71.5 -19.7 -23.9 47.1 7.0 44 160 A D S+ 0 0 96 -2,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.779 90.0 51.9 -58.3 -29.1 -22.7 51.7 3.3 46 162 A N H > S+ 0 0 106 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.871 106.1 52.1 -75.6 -40.6 -19.4 53.7 3.4 47 163 A R H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.935 110.6 46.5 -62.7 -49.8 -17.1 50.7 4.0 48 164 A V H X S+ 0 0 3 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.911 111.8 53.1 -59.3 -41.4 -18.5 48.7 1.0 49 165 A Q H X S+ 0 0 62 -4,-1.2 4,-2.6 -5,-0.3 -2,-0.2 0.889 106.5 52.3 -58.5 -42.3 -18.2 51.9 -1.1 50 166 A A H X S+ 0 0 19 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.877 110.7 47.9 -60.7 -39.5 -14.5 52.2 0.0 51 167 A I H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.929 110.6 50.6 -66.0 -47.5 -14.0 48.6 -1.1 52 168 A I H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.911 113.2 46.3 -54.8 -46.5 -15.8 49.3 -4.5 53 169 A N H X S+ 0 0 77 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.848 109.9 53.1 -65.7 -38.3 -13.5 52.4 -4.9 54 170 A A H X S+ 0 0 16 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.857 108.6 50.8 -66.0 -37.2 -10.4 50.4 -3.9 55 171 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.923 107.8 53.4 -61.3 -46.4 -11.3 47.8 -6.6 56 172 A Q H X S+ 0 0 70 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.888 111.0 45.0 -57.2 -44.9 -11.7 50.6 -9.2 57 173 A E H X S+ 0 0 99 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.850 113.2 51.5 -67.6 -36.0 -8.2 51.9 -8.4 58 174 A S H X S+ 0 0 6 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.852 110.9 48.1 -67.6 -36.4 -6.9 48.3 -8.5 59 175 A G H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.693 109.5 53.6 -76.6 -21.0 -8.5 47.8 -11.9 60 176 A R H < S+ 0 0 142 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.688 120.7 29.3 -85.3 -20.1 -7.1 51.0 -13.2 61 177 A T H < S+ 0 0 64 -4,-0.9 -2,-0.2 -3,-0.2 -3,-0.1 0.668 83.8 125.6-113.5 -24.2 -3.5 50.2 -12.3 62 178 A Y < - 0 0 2 -4,-1.8 52,-0.3 5,-0.2 2,-0.2 0.029 36.2-167.6 -52.2 145.8 -3.1 46.3 -12.4 63 179 A T - 0 0 71 3,-1.6 -1,-0.1 50,-0.1 -2,-0.1 -0.634 39.0 -92.8-122.7 179.9 -0.3 44.8 -14.5 64 180 A A S S+ 0 0 39 -2,-0.2 57,-0.4 1,-0.1 58,-0.2 0.826 122.9 44.0 -64.8 -33.9 0.6 41.3 -15.8 65 181 A N S S+ 0 0 95 1,-0.2 2,-0.5 56,-0.1 -1,-0.1 0.966 117.5 37.7 -76.6 -58.0 2.9 40.7 -12.8 66 182 A D - 0 0 50 1,-0.1 -3,-1.6 2,-0.1 -1,-0.2 -0.849 56.4-163.0-102.9 131.2 0.8 42.0 -9.9 67 183 A M > - 0 0 37 -2,-0.5 3,-0.6 -5,-0.2 -5,-0.2 0.698 32.6-136.5 -74.6 -20.8 -3.0 41.5 -9.7 68 184 A K T 3 - 0 0 34 1,-0.2 -46,-0.1 -7,-0.1 -6,-0.1 0.887 61.8 -68.3 54.4 41.7 -3.2 44.3 -7.1 69 185 A G T 3> S+ 0 0 11 1,-0.1 4,-2.4 3,-0.1 -1,-0.2 0.744 87.4 148.0 55.0 36.2 -5.6 42.0 -5.2 70 186 A I H <> S+ 0 0 0 -3,-0.6 4,-1.0 2,-0.2 5,-0.1 0.837 71.5 56.0 -67.4 -32.9 -8.5 42.2 -7.7 71 187 A E H > S+ 0 0 67 2,-0.2 4,-1.6 1,-0.2 3,-0.4 0.926 111.7 42.4 -61.9 -45.6 -9.5 38.6 -6.8 72 188 A T H > S+ 0 0 9 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.890 111.3 55.0 -69.7 -40.6 -9.8 39.5 -3.1 73 189 A F H X S+ 0 0 2 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.697 112.1 45.5 -64.3 -20.0 -11.5 42.8 -3.9 74 190 A T H X S+ 0 0 0 -4,-1.0 4,-1.6 -3,-0.4 -1,-0.2 0.771 109.1 52.6 -93.3 -31.2 -14.1 40.9 -5.9 75 191 A E H X S+ 0 0 14 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.898 105.4 53.3 -74.5 -41.4 -14.8 38.1 -3.4 76 192 A V H X S+ 0 0 5 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.918 111.7 47.1 -56.4 -45.8 -15.5 40.3 -0.4 77 193 A L H X S+ 0 0 7 -4,-0.5 4,-2.1 -5,-0.2 -1,-0.2 0.855 109.9 53.3 -65.2 -36.0 -18.1 42.2 -2.6 78 194 A R H X S+ 0 0 63 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.930 107.5 50.8 -63.4 -45.7 -19.5 38.8 -3.6 79 195 A A H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.852 108.6 55.1 -56.4 -37.6 -19.9 37.8 0.0 80 196 A G H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.946 112.2 38.9 -61.0 -52.1 -21.6 41.2 0.5 81 197 A F H X S+ 0 0 8 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.836 114.1 56.1 -71.4 -32.9 -24.3 40.6 -2.1 82 198 A Y H X S+ 0 0 117 -4,-2.5 4,-1.5 2,-0.2 3,-0.4 0.903 111.5 42.3 -64.0 -44.7 -24.6 36.9 -1.2 83 199 A L H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.829 109.9 58.8 -70.9 -33.0 -25.4 37.8 2.4 84 200 A G H < S+ 0 0 2 -4,-1.8 10,-0.3 -5,-0.2 -1,-0.2 0.672 105.5 51.6 -68.1 -19.6 -27.7 40.6 1.2 85 201 A Y H < S+ 0 0 178 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.2 0.933 117.7 32.5 -78.4 -52.0 -29.7 38.0 -0.6 86 202 A Y H < S+ 0 0 76 -4,-1.5 2,-0.4 -5,-0.1 -2,-0.2 0.661 115.3 57.4 -85.1 -18.9 -30.3 35.5 2.2 87 203 A N S >< S- 0 0 46 -4,-1.9 3,-0.9 -5,-0.1 2,-0.2 -0.946 70.8-133.7-124.8 134.7 -30.5 37.9 5.2 88 204 A D T 3 S+ 0 0 138 -2,-0.4 -3,-0.1 1,-0.2 -2,-0.0 -0.567 90.9 50.9 -78.7 146.0 -32.7 40.9 6.0 89 205 A G T 3 S+ 0 0 44 -2,-0.2 -1,-0.2 -5,-0.1 3,-0.1 0.065 108.3 57.1 106.9 -21.7 -30.8 44.0 7.4 90 206 A L S X S+ 0 0 0 -3,-0.9 3,-1.7 -7,-0.2 4,-0.4 0.032 70.4 117.7-117.2 20.0 -28.4 43.8 4.4 91 207 A S T 3> + 0 0 59 1,-0.3 4,-0.8 2,-0.2 3,-0.1 0.542 60.2 71.5 -69.7 -8.4 -31.3 44.1 1.9 92 208 A Y T 34 S+ 0 0 46 1,-0.2 6,-0.3 2,-0.2 -1,-0.3 0.759 93.7 56.3 -74.1 -27.0 -29.9 47.4 0.6 93 209 A L T <4 S+ 0 0 3 -3,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.673 99.6 61.0 -74.3 -20.5 -27.2 45.3 -1.0 94 210 A N T 4 S+ 0 0 80 -4,-0.4 -1,-0.2 -10,-0.3 -2,-0.2 0.829 82.2 97.5 -72.8 -35.2 -29.9 43.3 -2.8 95 211 A D S >X S- 0 0 85 -4,-0.8 4,-1.5 1,-0.1 3,-1.0 -0.385 72.3-142.5 -61.8 124.2 -31.2 46.4 -4.6 96 212 A R H 3> S+ 0 0 48 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.760 96.6 69.1 -58.1 -29.8 -29.8 46.6 -8.1 97 213 A N H 34 S+ 0 0 123 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.879 105.8 38.8 -57.3 -42.2 -29.5 50.4 -7.8 98 214 A F H X4 S+ 0 0 38 -3,-1.0 3,-1.8 -6,-0.3 -1,-0.2 0.828 109.7 60.7 -76.0 -35.0 -26.7 50.0 -5.3 99 215 A Q H >< S+ 0 0 20 -4,-1.5 3,-1.8 1,-0.3 38,-0.4 0.777 91.1 70.5 -62.6 -27.1 -25.2 47.1 -7.2 100 216 A D G >< S+ 0 0 73 -4,-1.6 3,-1.2 1,-0.3 -1,-0.3 0.663 78.7 78.4 -62.6 -18.6 -24.8 49.5 -10.1 101 217 A K G < S+ 0 0 40 -3,-1.8 4,-0.4 1,-0.3 -1,-0.3 0.632 85.4 61.6 -67.0 -13.9 -22.0 51.2 -8.0 102 218 A C G <> S+ 0 0 0 -3,-1.8 4,-2.5 1,-0.2 3,-0.4 0.694 85.1 77.4 -82.9 -21.7 -19.7 48.3 -9.0 103 219 A I H <> S+ 0 0 17 -3,-1.2 4,-3.3 -4,-0.3 5,-0.3 0.903 88.2 54.6 -57.0 -48.3 -20.0 49.2 -12.7 104 220 A P H > S+ 0 0 65 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.871 113.6 44.5 -53.4 -36.2 -17.6 52.2 -12.5 105 221 A A H > S+ 0 0 0 -4,-0.4 4,-1.4 -3,-0.4 -2,-0.2 0.869 111.4 52.4 -73.4 -40.7 -15.1 49.8 -11.0 106 222 A M H >X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 3,-0.5 0.942 108.1 51.2 -59.5 -49.0 -15.9 47.1 -13.6 107 223 A I H 3X S+ 0 0 30 -4,-3.3 4,-2.4 1,-0.2 -1,-0.2 0.869 105.0 57.7 -54.0 -41.8 -15.3 49.7 -16.5 108 224 A A H 3X S+ 0 0 11 -4,-1.3 4,-0.5 -5,-0.3 -1,-0.2 0.854 105.6 49.2 -60.1 -38.9 -11.9 50.6 -14.9 109 225 A I H << S+ 0 0 0 -4,-1.4 3,-0.3 -3,-0.5 -1,-0.2 0.858 113.3 47.3 -67.2 -38.1 -10.8 46.9 -15.2 110 226 A Q H < S+ 0 0 14 -4,-1.6 -2,-0.2 1,-0.2 5,-0.2 0.815 107.9 53.9 -75.4 -34.0 -11.9 46.7 -18.8 111 227 A K H < S+ 0 0 100 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.573 85.2 107.3 -78.2 -10.7 -10.2 50.0 -19.8 112 228 A N S >< S- 0 0 12 -4,-0.5 3,-1.8 -3,-0.3 -51,-0.1 -0.498 78.6-129.2 -65.6 134.1 -6.9 48.8 -18.5 113 229 A P T 3 S+ 0 0 128 0, 0.0 -1,-0.1 0, 0.0 -50,-0.1 0.713 107.4 63.6 -56.7 -20.9 -4.5 47.9 -21.3 114 230 A N T 3 + 0 0 41 -52,-0.3 2,-1.6 1,-0.1 -2,-0.1 0.164 67.8 117.2 -90.3 17.4 -4.0 44.5 -19.5 115 231 A F < + 0 0 17 -3,-1.8 2,-0.3 -5,-0.2 -1,-0.1 -0.599 57.0 78.4 -87.8 79.3 -7.6 43.4 -20.0 116 232 A K S S- 0 0 24 -2,-1.6 2,-0.2 6,-0.1 10,-0.1 -0.950 88.5 -75.7-166.5 170.6 -7.0 40.4 -22.2 117 233 A L S S+ 0 0 6 -2,-0.3 3,-0.1 1,-0.1 2,-0.1 -0.581 77.8 97.6 -80.1 145.3 -5.9 36.8 -21.9 118 234 A G + 0 0 34 1,-0.5 2,-0.2 -2,-0.2 -1,-0.1 -0.372 69.4 34.6 178.5 -91.9 -2.2 36.1 -21.3 119 235 A T S > S- 0 0 57 1,-0.1 4,-2.2 -2,-0.1 -1,-0.5 -0.519 84.5-102.6 -88.8 160.6 -0.7 35.4 -17.9 120 236 A A H > S+ 0 0 63 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.829 123.7 52.4 -48.7 -39.6 -2.4 33.5 -15.1 121 237 A V H > S+ 0 0 25 -57,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.981 107.9 48.6 -59.4 -61.0 -3.1 36.9 -13.4 122 238 A Q H > S+ 0 0 28 -58,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.810 113.8 48.9 -48.7 -37.1 -4.8 38.4 -16.5 123 239 A D H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.931 110.1 48.8 -72.7 -46.4 -6.9 35.2 -16.8 124 240 A E H X S+ 0 0 43 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.754 106.7 58.8 -63.8 -27.2 -8.0 35.2 -13.2 125 241 A V H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.923 107.3 45.0 -67.1 -46.7 -8.9 38.9 -13.5 126 242 A I H X S+ 0 0 0 -4,-1.4 4,-2.6 2,-0.2 -2,-0.2 0.915 115.4 49.4 -60.6 -43.0 -11.4 38.1 -16.3 127 243 A T H X S+ 0 0 13 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.920 113.1 45.1 -60.2 -48.2 -12.6 35.1 -14.2 128 244 A S H X S+ 0 0 5 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.869 113.1 51.2 -67.9 -38.5 -13.0 37.3 -11.0 129 245 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.942 109.9 50.3 -58.1 -49.5 -14.7 40.0 -13.0 130 246 A G H X S+ 0 0 0 -4,-2.6 4,-1.1 1,-0.2 -2,-0.2 0.860 109.4 50.1 -60.3 -40.4 -17.1 37.5 -14.5 131 247 A K H X S+ 0 0 78 -4,-2.0 4,-0.9 1,-0.2 -1,-0.2 0.854 108.9 53.3 -66.8 -37.2 -18.0 36.1 -11.1 132 248 A L H >X S+ 0 0 0 -4,-1.7 4,-3.0 1,-0.2 3,-1.1 0.932 101.9 57.4 -62.4 -49.5 -18.7 39.6 -9.8 133 249 A I H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 100.2 60.0 -51.1 -40.0 -21.1 40.5 -12.6 134 250 A G H 3< S+ 0 0 14 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.852 116.5 31.0 -58.0 -39.2 -23.3 37.5 -11.6 135 251 A N H << S+ 0 0 43 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.755 131.1 31.4 -90.6 -30.2 -23.8 38.8 -8.1 136 252 A A S < S- 0 0 1 -4,-3.0 2,-0.3 1,-0.2 -36,-0.1 0.552 99.4 -68.3 -96.4-118.4 -23.7 42.5 -8.9 137 253 A S - 0 0 4 -38,-0.4 2,-0.3 -40,-0.0 -1,-0.2 -0.945 23.9-163.4-143.9 157.9 -24.7 44.3 -12.2 138 254 A A - 0 0 7 -2,-0.3 -35,-0.0 39,-0.1 -38,-0.0 -0.956 2.5-172.0-136.3 156.1 -24.0 44.9 -15.8 139 255 A N - 0 0 44 -2,-0.3 -1,-0.1 55,-0.1 -39,-0.0 0.746 49.6 -96.9-118.2 -34.9 -25.4 47.7 -18.0 140 256 A A S > S+ 0 0 12 55,-0.1 4,-2.4 59,-0.0 5,-0.1 -0.249 115.7 72.0 135.5 -42.3 -24.5 47.1 -21.7 141 257 A E H > S+ 0 0 112 2,-0.2 4,-0.8 1,-0.2 -3,-0.0 0.917 104.0 42.5 -64.4 -44.8 -21.4 49.3 -21.9 142 258 A V H 4 S+ 0 0 0 2,-0.2 4,-0.3 1,-0.2 3,-0.2 0.860 112.3 54.4 -69.5 -38.3 -19.5 46.7 -19.8 143 259 A V H >4 S+ 0 0 0 1,-0.2 3,-1.8 2,-0.2 4,-0.2 0.951 107.9 48.9 -59.4 -51.4 -21.0 43.8 -21.8 144 260 A N H >< S+ 0 0 35 -4,-2.4 3,-1.0 1,-0.3 -1,-0.2 0.701 100.3 66.2 -65.2 -21.0 -19.8 45.2 -25.1 145 261 A N T 3< S+ 0 0 49 -4,-0.8 4,-0.3 1,-0.2 -1,-0.3 0.583 88.1 68.9 -76.0 -9.8 -16.3 45.8 -23.6 146 262 A C T X> S+ 0 0 0 -3,-1.8 4,-2.0 -4,-0.3 3,-0.6 0.586 75.5 91.0 -80.5 -12.4 -15.9 42.0 -23.4 147 263 A V H <> S+ 0 0 24 -3,-1.0 4,-3.4 1,-0.2 5,-0.3 0.900 80.7 51.7 -50.8 -53.7 -15.8 41.8 -27.2 148 264 A P H 3> S+ 0 0 79 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.810 110.9 50.4 -59.3 -29.9 -12.0 42.0 -27.6 149 265 A V H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.3 -2,-0.2 0.893 112.9 44.8 -70.7 -43.0 -11.6 39.2 -25.1 150 266 A L H X S+ 0 0 3 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.907 114.7 49.2 -66.3 -43.0 -14.1 37.0 -27.0 151 267 A K H X S+ 0 0 50 -4,-3.4 4,-2.6 2,-0.2 -2,-0.2 0.886 112.6 48.3 -58.6 -42.6 -12.4 38.0 -30.2 152 268 A Q H X S+ 0 0 46 -4,-1.9 4,-1.1 -5,-0.3 -2,-0.2 0.879 114.4 45.0 -67.1 -41.7 -9.0 37.1 -28.7 153 269 A F H < S+ 0 0 2 -4,-2.5 7,-0.3 2,-0.2 3,-0.2 0.921 115.8 47.5 -65.4 -46.8 -10.3 33.8 -27.4 154 270 A R H >< S+ 0 0 60 -4,-3.0 3,-1.6 1,-0.2 -2,-0.2 0.892 107.4 55.1 -63.2 -44.0 -12.0 33.0 -30.7 155 271 A E H 3< S+ 0 0 133 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.797 119.8 33.1 -63.4 -30.3 -9.0 34.0 -32.8 156 272 A N T >X S+ 0 0 81 -4,-1.1 4,-2.4 -3,-0.2 3,-1.5 -0.186 79.9 137.8-114.9 41.1 -6.9 31.5 -30.8 157 273 A L H <> + 0 0 1 -3,-1.6 4,-1.5 1,-0.3 -1,-0.1 0.833 68.0 53.8 -56.3 -40.9 -9.7 28.9 -30.2 158 274 A N H 34 S+ 0 0 89 -4,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.598 116.6 38.1 -74.9 -11.6 -7.5 25.8 -30.9 159 275 A Q H <4 S+ 0 0 64 -3,-1.5 4,-0.4 -6,-0.2 -2,-0.2 0.794 121.8 37.0-101.8 -39.9 -4.9 26.9 -28.4 160 276 A Y H >< S+ 0 0 54 -4,-2.4 3,-0.7 -7,-0.3 7,-0.6 0.843 102.8 65.0 -88.5 -37.7 -6.9 28.4 -25.5 161 277 A A T 3< S+ 0 0 3 -4,-1.5 -1,-0.2 -5,-0.3 -3,-0.1 0.755 99.1 54.4 -62.3 -30.9 -10.1 26.3 -25.2 162 278 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.808 93.9 84.7 -70.9 -28.9 -8.2 23.1 -24.2 163 279 A D S <> S- 0 0 65 -3,-0.7 4,-0.8 -4,-0.4 5,-0.1 -0.470 75.3-143.3 -70.5 144.5 -6.6 25.0 -21.3 164 280 A Y H > S+ 0 0 187 3,-0.2 4,-2.2 -2,-0.1 5,-0.2 0.823 92.2 53.4 -77.2 -32.1 -8.7 25.1 -18.1 165 281 A V H > S+ 0 0 57 2,-0.2 4,-2.2 3,-0.2 -1,-0.1 0.977 115.3 33.0 -73.1 -60.7 -7.7 28.7 -17.1 166 282 A K H > S+ 0 0 27 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.902 121.6 52.2 -60.9 -44.9 -8.4 30.8 -20.3 167 283 A G H X S+ 0 0 3 -4,-0.8 4,-2.2 -7,-0.6 -2,-0.2 0.937 111.1 45.4 -57.5 -51.6 -11.4 28.5 -21.1 168 284 A T H X S+ 0 0 31 -4,-2.2 4,-2.9 1,-0.2 5,-0.3 0.886 108.9 59.4 -59.7 -39.5 -12.9 28.9 -17.6 169 285 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.932 109.9 39.3 -56.7 -51.2 -12.2 32.7 -17.8 170 286 A V H X S+ 0 0 2 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.925 115.9 51.9 -67.9 -45.4 -14.4 33.2 -20.9 171 287 A N H X S+ 0 0 41 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.915 112.3 46.0 -54.1 -47.4 -17.1 30.8 -19.8 172 288 A E H X S+ 0 0 46 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.868 110.7 54.0 -65.2 -38.0 -17.4 32.5 -16.4 173 289 A L H X S+ 0 0 1 -4,-2.0 4,-1.3 -5,-0.3 -2,-0.2 0.908 116.7 36.1 -64.4 -44.5 -17.4 35.9 -18.1 174 290 A I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 3,-0.3 0.960 117.1 52.0 -71.4 -52.6 -20.3 35.0 -20.4 175 291 A K H X S+ 0 0 67 -4,-3.0 4,-1.7 -5,-0.3 -2,-0.2 0.850 110.4 49.8 -53.1 -41.1 -22.2 32.9 -17.8 176 292 A G H X S+ 0 0 9 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.873 110.4 47.7 -68.2 -41.6 -22.0 35.6 -15.2 177 293 A I H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.3 -2,-0.2 0.913 112.1 50.2 -65.9 -44.9 -23.4 38.4 -17.5 178 294 A E H X S+ 0 0 33 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.870 108.5 54.4 -58.5 -39.5 -26.2 36.1 -18.6 179 295 A F H X S+ 0 0 125 -4,-1.7 4,-1.6 -5,-0.3 -2,-0.2 0.905 110.9 43.5 -65.0 -44.3 -27.0 35.4 -15.0 180 296 A D H X S+ 0 0 22 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.919 116.0 48.9 -64.3 -45.1 -27.3 39.0 -14.1 181 297 A F H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.899 111.5 45.8 -67.1 -45.8 -29.4 39.8 -17.2 182 298 A S H < S+ 0 0 43 -4,-2.6 3,-0.3 1,-0.2 -1,-0.2 0.923 112.5 51.6 -63.6 -44.5 -31.9 37.0 -17.0 183 299 A G H >< S+ 0 0 50 -4,-1.6 3,-0.6 -5,-0.3 -1,-0.2 0.742 107.6 54.0 -64.7 -25.7 -32.5 37.6 -13.2 184 300 A A H 3< S+ 0 0 49 -4,-1.2 -1,-0.2 1,-0.2 3,-0.2 0.835 115.7 37.0 -77.2 -35.9 -33.1 41.3 -14.0 185 301 A A T 3< S+ 0 0 13 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 -0.149 78.9 138.6-106.4 37.6 -35.8 40.6 -16.6 186 302 A Y S < S- 0 0 178 -3,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.839 92.6 -14.3 -55.1 -46.6 -37.3 37.6 -14.7 187 303 A E S S+ 0 0 163 -3,-0.2 -1,-0.2 -4,-0.1 -2,-0.1 0.352 115.6 106.1-133.8 -7.1 -40.9 38.4 -15.3 188 304 A K S S- 0 0 59 -4,-0.2 2,-0.4 1,-0.1 -3,-0.0 -0.173 86.8 -80.0 -68.6 165.5 -40.5 42.0 -16.5 189 305 A D > - 0 0 100 1,-0.2 3,-1.4 3,-0.1 -1,-0.1 -0.595 32.4-151.4 -73.9 123.2 -40.9 43.0 -20.1 190 306 A V G > S+ 0 0 50 -2,-0.4 3,-0.6 1,-0.3 -1,-0.2 0.832 92.6 67.4 -63.8 -35.2 -37.7 42.2 -22.1 191 307 A K G 3 S+ 0 0 70 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.630 94.7 62.8 -60.2 -15.2 -38.4 45.1 -24.5 192 308 A T G < S+ 0 0 98 -3,-1.4 -1,-0.3 -7,-0.0 -3,-0.1 -0.425 73.3 119.6-114.1 56.0 -37.8 47.5 -21.6 193 309 A M X - 0 0 38 -3,-0.6 3,-0.7 -2,-0.2 -3,-0.0 -0.920 67.5-126.7-114.5 147.6 -34.1 46.9 -20.6 194 310 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -55,-0.1 0.716 114.9 40.0 -60.4 -22.0 -31.3 49.5 -20.7 195 311 A W T >> S+ 0 0 12 2,-0.0 3,-3.1 -55,-0.0 4,-0.8 0.552 81.7 129.6-101.8 -13.0 -29.3 47.0 -22.9 196 312 A Y T <4 S- 0 0 77 -3,-0.7 41,-0.1 1,-0.3 40,-0.1 -0.241 88.6 -2.4 -55.4 108.6 -32.1 45.8 -25.1 197 313 A G T 34 S+ 0 0 24 39,-2.3 -1,-0.3 -2,-0.2 3,-0.1 0.538 116.3 88.8 87.4 9.2 -31.0 46.1 -28.7 198 314 A K T <4 + 0 0 52 -3,-3.1 -2,-0.2 38,-0.2 4,-0.1 0.496 69.5 70.0-112.7 -9.2 -27.6 47.6 -27.7 199 315 A I X + 0 0 0 -4,-0.8 4,-3.0 37,-0.5 3,-0.5 0.058 57.9 122.0 -99.4 24.7 -25.6 44.5 -27.2 200 316 A D H > S+ 0 0 57 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.862 71.9 54.3 -53.9 -42.8 -25.4 43.6 -31.0 201 317 A P H > S+ 0 0 72 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.866 113.2 43.8 -60.9 -35.1 -21.6 43.6 -31.1 202 318 A F H > S+ 0 0 0 -3,-0.5 4,-1.0 2,-0.2 3,-0.4 0.928 113.5 49.9 -71.4 -49.0 -21.6 41.1 -28.2 203 319 A I H >X S+ 0 0 0 -4,-3.0 4,-1.5 1,-0.2 3,-1.0 0.921 110.0 51.5 -54.3 -48.9 -24.4 39.0 -29.7 204 320 A N H 3X S+ 0 0 86 -4,-3.1 4,-1.8 1,-0.3 -1,-0.2 0.782 103.5 58.7 -59.8 -29.9 -22.5 38.9 -33.0 205 321 A E H 3X S+ 0 0 21 -4,-0.9 4,-1.2 -3,-0.4 -1,-0.3 0.766 105.0 50.5 -72.0 -25.1 -19.3 37.8 -31.2 206 322 A L H < S+ 0 0 4 -4,-1.2 3,-1.5 2,-0.2 -2,-0.2 0.946 118.5 46.9 -71.8 -53.1 -17.9 31.6 -31.7 210 326 A G H 3< S+ 0 0 0 -4,-3.4 3,-0.5 1,-0.3 -2,-0.2 0.904 116.9 42.9 -55.3 -46.8 -20.9 29.4 -32.0 211 327 A L T 3< S+ 0 0 33 -4,-3.5 -1,-0.3 -5,-0.2 -2,-0.2 0.104 74.8 124.3 -93.2 22.5 -20.7 29.0 -35.7 212 328 A Y < - 0 0 72 -3,-1.5 2,-2.0 1,-0.2 -1,-0.2 0.817 44.3-172.8 -50.9 -39.1 -16.9 28.5 -35.8 213 329 A G + 0 0 21 -3,-0.5 2,-2.3 -4,-0.2 -1,-0.2 -0.472 58.9 84.6 83.1 -73.0 -17.4 25.2 -37.7 214 330 A N + 0 0 139 -2,-2.0 2,-0.3 -3,-0.1 -1,-0.1 -0.408 66.8 154.9 -69.0 78.1 -13.8 23.8 -37.7 215 331 A I - 0 0 41 -2,-2.3 2,-0.2 3,-0.0 5,-0.0 -0.730 27.8-163.0-111.0 155.3 -14.1 22.2 -34.2 216 332 A T > - 0 0 71 -2,-0.3 4,-0.7 1,-0.0 3,-0.0 -0.543 45.3 -89.4-117.1-173.8 -12.2 19.4 -32.5 217 333 A S T 4 S+ 0 0 122 1,-0.2 4,-0.3 -2,-0.2 3,-0.1 0.793 128.1 52.3 -64.9 -29.3 -12.9 17.2 -29.5 218 334 A A T 4 S+ 0 0 43 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.790 117.0 33.7 -78.4 -30.8 -11.0 19.9 -27.5 219 335 A T T > S+ 0 0 0 1,-0.1 4,-1.2 2,-0.1 3,-0.5 0.305 85.3 98.8-113.4 6.8 -12.9 22.9 -28.7 220 336 A E H X S+ 0 0 52 -4,-0.7 4,-1.4 1,-0.2 3,-0.2 0.901 81.6 56.9 -61.0 -41.1 -16.5 21.6 -29.1 221 337 A W H > S+ 0 0 80 -4,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.810 100.7 58.2 -59.7 -33.4 -17.6 23.0 -25.7 222 338 A A H > S+ 0 0 0 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.908 109.5 41.5 -68.5 -43.8 -16.5 26.5 -26.7 223 339 A S H X S+ 0 0 0 -4,-1.2 4,-2.2 -3,-0.2 -1,-0.2 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3,-0.2 0.827 101.1 56.3 -36.9 -60.1 -14.8 -16.1 -15.3 459 575 A L H 3> S+ 0 0 46 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.792 107.5 49.2 -49.2 -39.3 -14.7 -12.3 -14.9 460 576 A I H X> S+ 0 0 0 -3,-1.4 4,-1.7 2,-0.2 3,-0.6 0.920 109.2 50.4 -69.9 -45.2 -17.1 -12.4 -12.0 461 577 A L H 3X S+ 0 0 0 -4,-1.6 4,-0.6 1,-0.2 -2,-0.2 0.812 105.2 62.7 -56.7 -30.0 -15.1 -15.1 -10.3 462 578 A G H 3< S+ 0 0 21 -4,-2.0 3,-0.5 -5,-0.3 -1,-0.2 0.862 100.8 49.4 -61.4 -41.1 -12.3 -12.7 -11.0 463 579 A Y H << S+ 0 0 68 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.922 100.8 61.9 -64.2 -46.8 -13.9 -10.0 -8.7 464 580 A L H < S+ 0 0 0 -4,-1.7 2,-1.6 1,-0.1 -1,-0.2 0.693 81.7 94.1 -57.8 -18.8 -14.4 -12.5 -5.8 465 581 A A < + 0 0 56 -4,-0.6 2,-0.2 -3,-0.5 -1,-0.1 -0.636 68.7 88.1 -72.9 87.3 -10.6 -12.7 -5.9 466 582 A K S S- 0 0 65 -2,-1.6 2,-0.4 0, 0.0 -2,-0.1 -0.701 86.1 -19.9-153.8-154.2 -10.0 -10.0 -3.2 467 583 A D > - 0 0 100 -2,-0.2 5,-0.6 1,-0.2 -2,-0.0 -0.545 40.5-167.7 -72.0 119.8 -9.8 -9.8 0.6 468 584 A K T 5 + 0 0 57 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0.778 108.6 57.1 -72.4 -27.3 -23.8 -7.6 -7.0 491 608 A N H > S+ 0 0 6 -4,-0.4 4,-0.9 -3,-0.4 -1,-0.2 0.785 112.2 40.2 -74.0 -30.0 -20.9 -10.1 -7.0 492 609 A Y H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.766 108.1 62.0 -86.9 -30.0 -22.0 -11.7 -3.8 493 610 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 -5,-0.3 3,-0.2 0.930 107.3 45.8 -53.7 -48.1 -25.7 -11.5 -4.9 494 611 A F H X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.2 5,-0.3 0.872 105.6 60.1 -58.7 -42.1 -24.6 -13.7 -7.7 495 612 A A H X S+ 0 0 0 -4,-0.9 4,-2.0 1,-0.2 -1,-0.2 0.847 107.6 46.4 -58.9 -34.9 -22.7 -15.9 -5.2 496 613 A V H X S+ 0 0 0 -4,-1.9 4,-3.3 -3,-0.2 5,-0.3 0.962 111.0 49.9 -68.7 -55.1 -26.0 -16.6 -3.5 497 614 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.844 116.3 43.2 -53.4 -37.7 -27.9 -17.3 -6.7 498 615 A H H X S+ 0 0 6 -4,-2.7 4,-3.2 2,-0.2 5,-0.4 0.892 111.7 54.1 -75.6 -41.1 -25.2 -19.8 -7.7 499 616 A Y H X>S+ 0 0 0 -4,-2.0 4,-2.4 -5,-0.3 5,-0.8 0.952 112.1 44.0 -54.3 -53.0 -25.0 -21.2 -4.2 500 617 A L H X5S+ 0 0 1 -4,-3.3 4,-1.6 3,-0.2 8,-0.3 0.933 114.9 50.8 -59.0 -48.0 -28.7 -21.9 -4.3 501 618 A Y H <5S+ 0 0 32 -4,-2.0 4,-0.3 -5,-0.3 -2,-0.2 0.964 123.4 26.5 -51.0 -62.0 -28.6 -23.3 -7.8 502 619 A E H <5S+ 0 0 88 -4,-3.2 3,-0.3 1,-0.2 -2,-0.2 0.960 135.0 27.3 -72.9 -52.9 -25.7 -25.7 -7.2 503 620 A K H <5S+ 0 0 79 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.652 133.1 21.1 -89.7 -20.0 -26.0 -26.5 -3.5 504 621 A D X< + 0 0 22 -4,-1.6 4,-1.7 -5,-0.8 3,-0.4 -0.417 56.3 160.7-153.3 67.3 -29.7 -26.0 -2.8 505 622 A M H > S+ 0 0 23 -3,-0.3 4,-3.0 -4,-0.3 5,-0.3 0.915 74.8 65.7 -57.0 -46.1 -32.1 -26.1 -5.7 506 623 A P H > S+ 0 0 43 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.877 107.5 41.4 -43.0 -49.2 -35.2 -26.8 -3.5 507 624 A T H > S+ 0 0 18 -3,-0.4 4,-1.9 2,-0.2 -2,-0.2 0.933 113.6 52.5 -63.3 -48.1 -34.8 -23.3 -2.0 508 625 A F H X S+ 0 0 0 -4,-1.7 4,-1.5 -8,-0.3 -1,-0.2 0.871 113.2 44.0 -59.4 -40.0 -33.9 -21.7 -5.3 509 626 A I H X S+ 0 0 10 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.917 111.6 52.4 -69.9 -46.1 -37.0 -23.1 -7.0 510 627 A K H X S+ 0 0 115 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637 A V H > S+ 0 0 38 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.901 79.4 58.1 -64.2 -41.2 -44.4 -11.9 -0.5 521 638 A K H > S+ 0 0 82 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 108.1 46.5 -53.3 -47.7 -45.1 -13.8 2.8 522 639 A S H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.949 112.6 48.8 -58.7 -53.3 -43.5 -16.9 1.3 523 640 A Y H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.878 111.8 48.8 -57.6 -43.5 -40.4 -15.1 -0.1 524 641 A D H X S+ 0 0 57 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.884 107.1 55.0 -68.2 -39.3 -39.8 -13.3 3.2 525 642 A E H X S+ 0 0 133 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.890 111.0 47.1 -57.1 -40.9 -40.1 -16.6 5.2 526 643 A I H X S+ 0 0 28 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.944 112.8 46.6 -66.7 -50.9 -37.4 -18.0 3.0 527 644 A I H X S+ 0 0 11 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.848 114.1 50.0 -60.1 -35.4 -35.1 -15.0 3.3 528 645 A K H X S+ 0 0 60 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.944 109.6 49.7 -67.7 -49.7 -35.6 -15.1 7.0 529 646 A K H X S+ 0 0 161 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.890 113.7 46.9 -54.4 -44.6 -34.8 -18.8 7.3 530 647 A L H < S+ 0 0 6 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.900 116.6 42.6 -65.0 -43.5 -31.6 -18.3 5.3 531 648 A S H < S+ 0 0 22 -4,-2.0 -2,-0.2 -5,-0.2 -55,-0.2 0.833 116.1 47.6 -75.2 -33.8 -30.5 -15.2 7.3 532 649 A D H < S+ 0 0 127 -4,-3.0 2,-0.5 -5,-0.1 -2,-0.2 0.804 97.2 79.9 -78.5 -31.5 -31.4 -16.7 10.7 533 650 A D < - 0 0 71 -4,-1.7 4,-0.3 -5,-0.3 0, 0.0 -0.681 59.7-168.0 -80.0 125.2 -29.7 -20.1 10.1 534 651 A A S > S+ 0 0 76 -2,-0.5 4,-1.5 2,-0.2 -1,-0.1 0.712 83.5 62.1 -87.4 -24.6 -25.9 -19.9 10.6 535 652 A N H > S+ 0 0 56 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.847 99.1 56.4 -67.2 -36.1 -25.2 -23.3 9.0 536 653 A K H > S+ 0 0 45 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.743 105.0 54.1 -66.9 -25.1 -26.6 -22.0 5.7 537 654 A N H > S+ 0 0 46 -4,-0.3 4,-3.5 2,-0.2 -2,-0.2 0.890 107.3 47.7 -73.5 -43.8 -24.0 -19.2 6.0 538 655 A T H X S+ 0 0 92 -4,-1.5 4,-2.1 2,-0.2 5,-0.2 0.887 110.7 52.8 -63.5 -40.0 -21.1 -21.6 6.4 539 656 A E H X S+ 0 0 86 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.921 115.3 41.9 -55.4 -45.7 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