==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 22-MAR-11 3R7R . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,C.WIESMANN . 838 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37714.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 571 68.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 107 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 52 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 1.3 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 4 1 4 1 3 3 1 1 4 1 1 1 1 1 2 1 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 3 4 3 3 4 2 1 1 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 1 1 2 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 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 1 143 A M 0 0 123 0, 0.0 5,-0.1 0, 0.0 167,-0.0 0.000 360.0 360.0 360.0 106.5 32.1 18.1 3.4 2 144 A S > - 0 0 73 1,-0.1 4,-1.1 3,-0.1 3,-0.5 -0.010 360.0-117.3 -52.4 150.6 28.5 18.6 2.1 3 145 A E H > S+ 0 0 160 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.772 115.3 66.3 -60.6 -24.2 27.9 21.6 -0.2 4 146 A E H > S+ 0 0 133 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.926 96.5 52.2 -61.6 -48.8 25.5 22.7 2.6 5 147 A S H > S+ 0 0 43 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.829 106.3 53.1 -57.9 -38.0 28.4 23.2 5.0 6 148 A Q H X S+ 0 0 113 -4,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.938 109.0 50.3 -64.9 -43.7 30.3 25.4 2.5 7 149 A A H X S+ 0 0 52 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.863 109.9 52.3 -59.3 -36.0 27.1 27.5 2.3 8 150 A F H X S+ 0 0 21 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.920 105.2 51.0 -67.9 -45.9 27.1 27.7 6.1 9 151 A Q H X S+ 0 0 25 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.844 109.0 56.1 -60.1 -32.3 30.7 28.9 6.4 10 152 A R H X S+ 0 0 199 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.886 106.4 48.6 -65.1 -38.6 29.5 31.5 3.9 11 153 A Q H X S+ 0 0 76 -4,-1.4 4,-1.4 2,-0.2 -2,-0.2 0.947 110.9 49.1 -68.5 -48.2 26.7 32.5 6.2 12 154 A L H >X S+ 0 0 1 -4,-2.7 4,-3.0 1,-0.2 3,-0.8 0.935 106.4 57.1 -57.1 -47.9 29.1 32.8 9.2 13 155 A T H 3X>S+ 0 0 31 -4,-2.4 4,-2.7 1,-0.3 5,-0.6 0.906 106.3 50.2 -51.5 -41.5 31.4 34.9 7.1 14 156 A A H 3<5S+ 0 0 67 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.773 113.8 44.1 -71.2 -25.7 28.6 37.4 6.5 15 157 A L H <<5S+ 0 0 4 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.852 117.8 44.6 -79.4 -40.1 27.8 37.6 10.2 16 158 A I H <5S- 0 0 1 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.902 97.0-135.1 -71.0 -46.2 31.4 37.9 11.3 17 159 A G T <5S+ 0 0 52 -4,-2.7 2,-0.3 -5,-0.3 -3,-0.1 0.614 78.3 73.4 94.5 10.8 32.5 40.4 8.7 18 160 A Y S - 0 0 57 -2,-0.3 3,-2.2 1,-0.1 -9,-0.1 -0.747 20.1-171.1 -96.2 101.0 36.6 35.1 6.1 20 162 A V T 3 S+ 0 0 13 -2,-1.0 -1,-0.1 1,-0.3 15,-0.1 0.515 83.7 62.9 -66.1 -7.2 38.3 32.9 8.7 21 163 A T T 3 S+ 0 0 62 -12,-0.1 2,-0.4 -3,-0.0 -1,-0.3 0.320 78.1 111.8 -96.9 4.0 39.2 30.4 5.9 22 164 A D < + 0 0 71 -3,-2.2 3,-0.1 1,-0.1 0, 0.0 -0.658 40.9 179.0 -80.7 126.4 41.3 33.0 4.2 23 165 A V > + 0 0 101 -2,-0.4 3,-0.8 1,-0.1 -1,-0.1 0.091 51.6 105.0-110.0 10.5 45.0 32.2 4.2 24 166 A S T 3 S+ 0 0 84 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.791 84.2 40.9 -61.8 -37.1 46.2 35.3 2.3 25 167 A N T 3 S+ 0 0 7 -3,-0.1 265,-0.4 265,-0.0 2,-0.3 -0.373 96.1 95.2-105.8 28.0 47.6 37.1 5.3 26 168 A V < - 0 0 45 -3,-0.8 3,-0.1 263,-0.1 -3,-0.0 -0.900 45.8-168.6-123.1 158.5 49.3 34.4 7.4 27 169 A H S S+ 0 0 62 -2,-0.3 2,-0.3 1,-0.1 -3,-0.0 0.099 81.4 9.2-123.3 4.6 52.8 33.0 7.7 28 170 A D S S- 0 0 44 232,-0.0 3,-0.2 0, 0.0 4,-0.1 -0.917 85.7 -91.3-164.6-173.7 51.9 29.9 9.6 29 171 A D S > S+ 0 0 48 -2,-0.3 4,-2.6 1,-0.1 5,-0.3 -0.035 74.6 120.1-100.1 15.1 48.9 27.9 10.8 30 172 A E H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.924 78.7 47.7 -50.7 -45.5 48.2 29.5 14.2 31 173 A L H > S+ 0 0 19 -3,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 115.0 42.7 -63.6 -46.8 44.7 30.6 13.2 32 174 A E H > S+ 0 0 52 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.908 113.2 53.7 -63.8 -42.9 43.6 27.3 11.7 33 175 A F H X S+ 0 0 68 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.902 111.2 47.4 -56.5 -44.8 45.2 25.4 14.6 34 176 A T H X S+ 0 0 1 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.883 104.2 57.8 -67.7 -44.1 43.2 27.6 16.9 35 177 A R H < S+ 0 0 40 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.950 114.3 41.0 -51.3 -45.7 39.9 27.2 15.0 36 178 A R H >X S+ 0 0 130 -4,-2.3 3,-1.5 1,-0.2 4,-0.6 0.911 110.6 56.2 -68.8 -41.8 40.3 23.4 15.6 37 179 A G H >< S+ 0 0 22 -4,-2.5 3,-0.5 1,-0.3 -1,-0.2 0.842 103.4 55.5 -61.0 -32.0 41.6 23.8 19.2 38 180 A L T 3X S+ 0 0 2 -4,-2.3 4,-2.1 1,-0.2 -1,-0.3 0.612 86.6 81.7 -79.8 -10.8 38.5 25.7 20.1 39 181 A V H <> S+ 0 0 24 -3,-1.5 4,-2.8 -4,-0.4 5,-0.2 0.915 91.2 50.0 -56.8 -47.1 36.2 22.9 18.9 40 182 A T H S+ 0 0 14 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.889 114.9 47.9 -57.6 -42.9 35.9 23.8 24.5 42 184 A R H X S+ 0 0 8 -4,-2.1 4,-2.6 2,-0.2 3,-0.4 0.957 111.1 47.1 -63.4 -55.0 32.8 24.7 22.5 43 185 A M H X S+ 0 0 97 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.901 110.4 55.4 -57.6 -38.9 31.3 21.2 22.3 44 186 A A H X S+ 0 0 61 -4,-2.5 4,-0.8 -5,-0.2 -1,-0.2 0.845 112.1 41.1 -59.7 -40.8 31.9 20.7 26.0 45 187 A E H X S+ 0 0 14 -4,-1.5 4,-1.8 -3,-0.4 -1,-0.2 0.878 114.3 51.6 -77.5 -40.4 29.9 23.8 27.0 46 188 A V H < S+ 0 0 34 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.945 114.4 43.4 -58.2 -49.8 27.1 23.2 24.5 47 189 A A H < S+ 0 0 88 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.734 114.0 52.9 -70.0 -23.4 26.7 19.6 25.7 48 190 A S H < S+ 0 0 92 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.794 88.7 95.2 -82.4 -31.1 26.9 20.7 29.3 49 191 A R S < S- 0 0 30 -4,-1.8 405,-0.0 -3,-0.2 404,-0.0 -0.330 79.3-112.6 -72.2 145.3 24.3 23.4 29.4 50 192 A D > - 0 0 80 1,-0.1 4,-2.6 403,-0.1 5,-0.3 -0.625 19.3-145.5 -77.1 118.4 20.7 22.9 30.4 51 193 A P H > S+ 0 0 72 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.837 94.8 47.7 -53.8 -38.3 18.4 23.4 27.4 52 194 A K H > S+ 0 0 134 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.976 115.6 39.6 -71.1 -56.6 15.5 24.9 29.4 53 195 A L H > S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 116.3 54.4 -62.1 -32.6 17.5 27.5 31.4 54 196 A Y H < S+ 0 0 8 -4,-2.6 401,-0.3 1,-0.2 -1,-0.2 0.891 106.9 50.7 -67.1 -38.0 19.5 28.2 28.3 55 197 A A H < S+ 0 0 8 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.892 120.3 34.1 -68.4 -38.3 16.4 28.9 26.3 56 198 A M H < S- 0 0 16 -4,-2.2 70,-0.6 -5,-0.1 -1,-0.2 0.553 85.6-160.3 -96.5 -6.9 15.0 31.3 28.9 57 199 A H < - 0 0 22 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.766 15.7-151.3 32.0 54.3 18.4 32.8 30.0 58 200 A P - 0 0 29 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 -0.242 6.7-133.4 -52.9 140.7 17.0 34.1 33.3 59 201 A W + 0 0 72 67,-0.4 78,-2.2 -3,-0.1 79,-0.4 -0.853 43.0 157.2-104.0 106.6 19.0 37.2 34.4 60 202 A V B -A 136 0A 35 -2,-0.8 360,-0.4 76,-0.2 2,-0.3 -0.761 28.3-153.7-130.6 167.5 19.8 36.8 38.0 61 203 A T - 0 0 0 74,-1.9 -2,-0.0 -2,-0.2 358,-0.0 -0.988 17.6-155.7-143.9 150.0 22.1 37.8 40.9 62 204 A S + 0 0 96 -2,-0.3 -1,-0.1 2,-0.1 73,-0.0 0.536 66.0 110.4 -96.7 -12.4 23.5 36.5 44.2 63 205 A K S S- 0 0 44 1,-0.1 -2,-0.1 72,-0.1 2,-0.1 -0.286 76.5-104.1 -64.1 150.5 24.2 39.9 45.5 64 206 A P - 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.368 39.2 -94.1 -74.1 153.0 22.0 41.1 48.4 65 207 A L - 0 0 10 1,-0.1 5,-0.1 -2,-0.1 70,-0.1 -0.573 50.1-114.9 -67.7 126.1 19.2 43.7 47.8 66 208 A P >> - 0 0 7 0, 0.0 3,-1.5 0, 0.0 4,-1.1 -0.196 17.9-114.8 -61.5 155.5 20.7 47.1 48.5 67 209 A E H >> S+ 0 0 147 1,-0.3 4,-1.6 2,-0.2 3,-1.0 0.937 114.3 60.5 -53.9 -50.0 19.5 49.2 51.5 68 210 A Y H 34 S+ 0 0 64 1,-0.3 -1,-0.3 557,-0.2 4,-0.1 0.454 106.6 47.9 -60.8 -9.5 18.1 51.9 49.2 69 211 A L H X4 S+ 0 0 12 -3,-1.5 3,-0.8 2,-0.1 -1,-0.3 0.637 100.7 61.3-104.4 -20.9 15.8 49.3 47.6 70 212 A W H X< S+ 0 0 92 -4,-1.1 3,-2.6 -3,-1.0 -2,-0.2 0.822 89.9 74.9 -71.2 -27.5 14.5 47.8 50.8 71 213 A K T 3< S+ 0 0 184 -4,-1.6 -1,-0.2 1,-0.3 3,-0.2 0.867 92.1 52.0 -50.4 -38.1 13.1 51.2 51.5 72 214 A K T < S+ 0 0 93 -3,-0.8 2,-0.3 1,-0.2 -1,-0.3 0.465 110.2 54.6 -79.6 -3.7 10.4 50.6 48.9 73 215 A I < + 0 0 10 -3,-2.6 -1,-0.2 -4,-0.2 5,-0.1 -0.750 54.0 135.1-132.4 92.5 9.5 47.4 50.6 74 216 A A S S+ 0 0 96 -2,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.419 72.7 62.1-110.4 -6.5 8.7 47.8 54.3 75 217 A N S S- 0 0 88 2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.310 104.7-125.6 -97.6 2.1 5.7 45.6 54.1 76 218 A N S S+ 0 0 92 1,-0.2 2,-0.4 -6,-0.2 -3,-0.1 0.728 76.0 111.5 57.7 24.7 7.7 42.6 53.1 77 219 A C - 0 0 42 17,-0.2 2,-0.4 18,-0.1 17,-0.3 -0.977 48.3-166.7-131.9 143.3 5.4 42.2 50.1 78 220 A I E -B 93 0B 6 15,-4.3 15,-1.9 -2,-0.4 2,-0.6 -0.995 17.7-136.0-129.8 134.5 5.8 42.7 46.4 79 221 A F E -B 92 0B 102 -2,-0.4 70,-0.8 13,-0.2 2,-0.5 -0.765 17.8-173.0 -97.5 118.6 2.9 42.9 43.9 80 222 A I E -Bc 91 149B 4 11,-2.2 11,-1.0 -2,-0.6 2,-0.8 -0.923 13.1-148.6-108.7 129.2 3.2 40.9 40.6 81 223 A V E -Bc 90 150B 10 68,-2.8 70,-2.8 -2,-0.5 2,-0.3 -0.831 13.0-164.5 -99.9 109.1 0.6 41.5 38.0 82 224 A I E - c 0 151B 17 7,-1.4 2,-0.3 -2,-0.8 70,-0.2 -0.653 6.6-174.5 -91.7 143.6 -0.1 38.4 35.9 83 225 A H E + c 0 152B 46 68,-1.4 70,-2.5 -2,-0.3 5,-0.1 -0.915 18.6 168.4-132.3 150.0 -2.0 38.7 32.6 84 226 A R S S- 0 0 57 3,-0.6 3,-0.2 -2,-0.3 68,-0.1 -0.330 75.6 -45.2-158.8 88.2 -3.2 36.0 30.2 85 227 A S S S+ 0 0 124 1,-0.2 3,-0.1 502,-0.0 -2,-0.0 0.052 117.2 0.5 66.1 -14.3 -5.6 37.7 27.6 86 228 A T S S+ 0 0 133 1,-0.8 2,-0.2 0, 0.0 -1,-0.2 0.434 112.5 26.5-150.5 -70.8 -8.1 40.0 29.3 87 229 A T - 0 0 111 -3,-0.2 -1,-0.8 2,-0.0 -3,-0.6 -0.619 65.5-146.3 -93.8 167.8 -8.4 40.8 32.9 88 230 A S - 0 0 45 -2,-0.2 2,-0.3 -5,-0.1 -5,-0.2 -0.866 3.5-150.9-149.4 114.8 -5.5 40.6 35.3 89 231 A Q - 0 0 96 -2,-0.3 -7,-1.4 -7,-0.2 2,-1.0 -0.626 17.8-136.6 -87.5 135.6 -5.3 39.6 39.0 90 232 A T E -B 81 0B 70 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.1 -0.723 18.4-151.0-101.7 97.1 -2.5 41.2 41.0 91 233 A I E -B 80 0B 12 -2,-1.0 -11,-2.2 -11,-1.0 2,-0.4 -0.276 10.4-132.2 -63.3 128.3 -0.8 38.6 43.3 92 234 A K E -B 79 0B 146 -13,-0.2 2,-0.3 -2,-0.1 -13,-0.2 -0.711 34.7-171.7 -82.9 135.3 0.7 39.7 46.6 93 235 A V E -B 78 0B 2 -15,-1.9 -15,-4.3 -2,-0.4 9,-0.0 -0.895 25.9-126.0-133.4 157.0 4.2 38.3 47.0 94 236 A S > - 0 0 30 -2,-0.3 3,-3.3 -17,-0.3 39,-0.3 -0.872 29.2-122.9-100.0 132.7 7.0 37.9 49.5 95 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.2 0, 0.0 40,-0.1 0.571 114.9 52.1 -50.2 -13.1 10.5 39.1 48.4 96 238 A D T 3 S+ 0 0 106 37,-0.1 39,-0.0 36,-0.1 -3,-0.0 0.548 82.4 116.7 -99.3 -14.1 11.7 35.5 49.1 97 239 A D < - 0 0 50 -3,-3.3 36,-2.3 35,-0.1 37,-0.2 -0.265 60.3-131.8 -60.0 141.8 9.0 33.7 47.1 98 240 A T >> - 0 0 34 34,-0.2 4,-2.2 35,-0.1 3,-1.0 -0.605 20.7-113.4 -91.1 150.8 10.3 31.6 44.1 99 241 A P H 3> S+ 0 0 9 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.899 121.5 47.9 -52.2 -42.6 8.8 31.8 40.6 100 242 A G H 34 S+ 0 0 36 29,-0.2 4,-0.1 1,-0.2 30,-0.1 0.748 111.4 54.4 -67.7 -22.2 7.4 28.2 41.0 101 243 A A H X> S+ 0 0 30 -3,-1.0 4,-1.9 2,-0.2 3,-1.5 0.876 102.7 50.6 -78.0 -46.2 6.1 29.2 44.4 102 244 A I H 3< S+ 0 0 7 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.613 105.4 62.4 -66.7 -13.5 4.0 32.3 43.3 103 245 A L T 3X S+ 0 0 22 -4,-0.5 4,-1.5 -5,-0.3 -1,-0.3 0.607 103.6 47.3 -81.3 -19.6 2.7 29.8 40.8 104 246 A Q H <>>S+ 0 0 124 -3,-1.5 4,-1.2 2,-0.2 5,-0.5 0.817 107.6 53.5 -84.8 -40.3 1.4 27.8 43.8 105 247 A S H <5S+ 0 0 50 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.1 0.192 116.9 44.8 -78.3 11.2 -0.1 30.8 45.4 106 248 A F H >5S+ 0 0 32 -5,-0.2 4,-0.7 -3,-0.1 5,-0.2 0.608 109.5 42.4-116.5 -71.8 -1.9 31.3 42.1 107 249 A F H >X5S+ 0 0 55 -4,-1.5 4,-3.1 1,-0.3 3,-0.6 0.873 128.2 34.1 -45.7 -49.5 -3.3 28.0 40.7 108 250 A T H 3<5S+ 0 0 117 -4,-1.2 -1,-0.3 1,-0.3 -3,-0.2 0.845 110.2 63.1 -75.1 -36.5 -4.7 27.0 44.1 109 251 A K H 34 -D 151 0B 2 5,-3.2 3,-1.7 -2,-0.4 5,-0.5 -0.362 48.7 -97.5 -63.2 138.7 7.9 40.1 31.4 121 275 A C T 3 S+ 0 0 18 29,-2.0 468,-0.4 1,-0.3 467,-0.2 -0.381 102.0 2.4 -63.6 126.5 5.4 42.0 29.3 122 276 A G T 3 S+ 0 0 5 1,-0.2 436,-0.4 466,-0.2 2,-0.3 0.587 116.5 94.9 75.4 12.9 6.6 43.1 25.9 123 277 A R S < S- 0 0 42 -3,-1.7 2,-1.0 2,-0.2 -1,-0.2 -0.945 80.5-127.1-136.3 155.2 10.0 41.5 26.4 124 278 A D S S+ 0 0 36 432,-2.7 2,-0.4 -2,-0.3 433,-0.1 -0.515 74.2 125.3 -85.1 39.8 11.8 38.3 25.7 125 279 A E - 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0 0 16 1,-0.1 3,-2.0 4,-0.0 -1,-0.1 -0.281 35.8-100.4 -73.4 159.0 49.2 51.1 43.7 329 563 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.783 122.0 50.1 -51.2 -29.2 49.3 49.2 40.4 330 564 A L T 3 S+ 0 0 52 2,-0.1 3,-0.0 472,-0.1 -3,-0.0 0.547 79.0 114.4 -90.9 -7.4 51.0 52.1 38.7 331 565 A N S < S- 0 0 61 -3,-2.0 2,-0.2 1,-0.1 -4,-0.0 -0.437 73.8-116.0 -64.2 132.6 53.8 52.7 41.3 332 566 A P - 0 0 94 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.484 20.0-130.4 -74.1 139.6 57.1 51.8 39.7 333 567 A L - 0 0 33 -2,-0.2 2,-0.0 27,-0.1 -9,-0.0 -0.823 21.6-145.2 -92.6 117.8 59.0 48.9 41.0 334 568 A T > - 0 0 70 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.243 27.4-106.9 -71.4 162.6 62.6 49.8 41.8 335 569 A A H > S+ 0 0 66 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.905 124.3 52.0 -59.8 -39.3 65.4 47.2 41.3 336 570 A E H > S+ 0 0 128 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 108.6 50.6 -60.6 -41.9 65.6 47.0 45.1 337 571 A D H > S+ 0 0 38 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.958 111.9 46.7 -62.4 -48.5 61.9 46.4 45.2 338 572 A K H X S+ 0 0 69 -4,-2.5 4,-2.1 1,-0.2 5,-0.2 0.902 110.5 51.7 -61.4 -44.1 62.1 43.6 42.6 339 573 A E H X S+ 0 0 146 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.901 112.5 47.7 -60.1 -39.3 65.1 41.9 44.3 340 574 A L H X S+ 0 0 16 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.936 110.1 50.4 -63.9 -49.4 63.2 41.9 47.6 341 575 A L H < S+ 0 0 0 -4,-2.6 7,-0.2 1,-0.2 -1,-0.2 0.843 116.7 42.8 -59.1 -37.9 60.0 40.5 46.1 342 576 A W H >< S+ 0 0 43 -4,-2.1 3,-1.6 -5,-0.2 -2,-0.2 0.940 113.0 48.3 -76.0 -52.2 62.0 37.8 44.5 343 577 A H H 3< S+ 0 0 132 -4,-2.8 3,-0.3 1,-0.3 -2,-0.2 0.903 117.9 43.2 -53.7 -45.6 64.3 36.9 47.3 344 578 A F T >X S+ 0 0 40 -4,-2.6 4,-2.7 -5,-0.2 3,-0.5 -0.282 79.1 140.5 -91.4 30.8 61.3 36.7 49.7 345 579 A R H <> + 0 0 40 -3,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.893 66.2 49.2 -39.4 -52.8 59.3 34.9 47.0 346 580 A Y H 34 S+ 0 0 88 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.755 112.4 46.3 -72.0 -24.1 57.6 32.5 49.5 347 581 A E H X4 S+ 0 0 25 -3,-0.5 3,-1.9 2,-0.2 -1,-0.2 0.905 111.1 54.1 -79.3 -42.4 56.5 35.2 51.8 348 582 A S H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.3 6,-0.3 0.876 97.1 64.7 -55.2 -42.5 55.3 37.3 48.9 349 583 A L T 3< S+ 0 0 14 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.591 89.9 69.3 -60.4 -9.0 53.1 34.4 47.7 350 584 A K T < S+ 0 0 107 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.462 91.1 64.7 -90.3 0.9 51.1 34.7 50.9 351 585 A H X> - 0 0 52 -3,-2.1 3,-2.8 1,-0.1 4,-0.8 -0.923 67.3-161.9-127.0 97.3 49.6 38.1 49.8 352 586 A P G >4 S+ 0 0 29 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.849 93.3 60.4 -48.0 -36.1 47.4 37.7 46.7 353 587 A K G 34 S+ 0 0 104 1,-0.3 4,-0.4 2,-0.2 -4,-0.1 0.630 97.2 59.2 -68.1 -16.8 47.8 41.4 46.1 354 588 A A G <> S+ 0 0 0 -3,-2.8 4,-2.9 -6,-0.3 -1,-0.3 0.701 81.9 91.1 -81.8 -20.4 51.6 41.0 45.9 355 589 A Y H S+ 0 0 6 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.938 116.8 47.1 -67.7 -42.1 51.3 41.3 40.1 357 591 A K H 4 S+ 0 0 16 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.857 113.8 50.1 -62.1 -39.6 54.2 43.1 41.7 358 592 A L H >< S+ 0 0 1 -4,-2.9 3,-1.5 1,-0.2 -1,-0.2 0.912 109.6 48.5 -65.6 -46.5 56.0 39.7 42.2 359 593 A F H 3< S+ 0 0 2 -4,-2.4 3,-0.4 1,-0.3 -1,-0.2 0.649 105.5 58.5 -72.0 -16.1 55.5 38.5 38.7 360 594 A S T 3< S+ 0 0 38 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.414 101.2 60.6 -84.9 -3.6 56.8 41.8 37.4 361 595 A S S < S+ 0 0 11 -3,-1.5 2,-0.2 -5,-0.1 -2,-0.2 0.447 80.8 107.5 -99.7 -4.7 59.9 40.9 39.4 362 596 A V S S- 0 0 5 -3,-0.4 2,-1.3 -4,-0.2 3,-0.1 -0.535 71.3-131.6 -77.9 140.9 60.7 37.7 37.5 363 597 A K > - 0 0 137 -2,-0.2 3,-1.3 1,-0.2 7,-0.3 -0.755 27.5-176.3 -91.1 96.1 63.6 37.7 35.2 364 598 A W T 3 S+ 0 0 11 -2,-1.3 -1,-0.2 1,-0.3 6,-0.1 0.696 72.9 67.7 -70.7 -18.7 61.7 36.1 32.3 365 599 A G T 3 S+ 0 0 14 -3,-0.1 2,-0.5 -129,-0.1 -1,-0.3 0.208 86.9 80.6 -86.1 13.6 64.9 35.9 30.1 366 600 A Q <> - 0 0 89 -3,-1.3 4,-2.4 1,-0.1 3,-0.3 -0.956 65.0-156.9-122.2 112.2 66.4 33.2 32.4 367 601 A Q H > S+ 0 0 69 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.882 94.4 52.1 -49.6 -45.5 65.2 29.6 32.0 368 602 A E H > S+ 0 0 145 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 110.9 46.8 -63.5 -39.6 66.2 28.7 35.6 369 603 A I H > S+ 0 0 22 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.936 111.1 50.5 -69.6 -46.3 64.3 31.5 37.1 370 604 A V H X S+ 0 0 20 -4,-2.4 4,-2.5 -7,-0.3 5,-0.2 0.927 109.8 52.3 -56.9 -43.5 61.2 30.9 35.1 371 605 A A H X S+ 0 0 41 -4,-2.4 4,-2.1 1,-0.3 -1,-0.2 0.928 108.2 49.8 -58.8 -43.9 61.4 27.3 36.2 372 606 A K H X S+ 0 0 86 -4,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.823 108.0 56.2 -64.0 -30.5 61.6 28.4 39.8 373 607 A T H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.935 105.3 48.1 -68.0 -47.3 58.6 30.5 39.1 374 608 A Y H X S+ 0 0 87 -4,-2.5 4,-1.1 1,-0.3 -2,-0.2 0.877 110.4 54.2 -60.0 -32.8 56.5 27.6 37.9 375 609 A Q H X S+ 0 0 114 -4,-2.1 4,-0.8 -5,-0.2 3,-0.4 0.900 106.7 51.7 -65.6 -38.8 57.7 25.8 41.0 376 610 A L H >< S+ 0 0 3 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.943 108.6 49.4 -60.6 -48.6 56.4 28.8 42.9 377 611 A L H 3< S+ 0 0 11 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.665 94.7 77.2 -66.5 -19.2 53.0 28.5 41.3 378 612 A A H 3< S+ 0 0 83 -4,-1.1 2,-1.2 -3,-0.4 -1,-0.2 0.913 93.6 48.4 -56.4 -47.7 52.9 24.8 42.0 379 613 A R S << S+ 0 0 147 -4,-0.8 -1,-0.3 -3,-0.8 3,-0.2 -0.728 70.3 150.0 -98.7 90.2 52.0 25.4 45.7 380 614 A R >> + 0 0 69 -2,-1.2 4,-2.4 -3,-0.2 3,-1.0 0.243 20.1 125.0-105.2 7.6 49.2 27.9 45.1 381 615 A E H 3> S+ 0 0 138 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.833 73.0 51.3 -40.3 -50.4 47.0 27.1 48.1 382 616 A V H 34 S+ 0 0 55 -3,-0.2 -1,-0.3 1,-0.2 4,-0.2 0.887 114.8 43.4 -59.6 -41.0 46.9 30.8 49.4 383 617 A W H X4 S+ 0 0 2 -3,-1.0 3,-2.1 1,-0.2 -2,-0.2 0.963 110.2 53.7 -67.8 -52.1 45.8 32.1 46.1 384 618 A D H 3< S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.792 113.9 43.3 -55.3 -31.8 43.2 29.4 45.3 385 619 A Q T 3< S+ 0 0 162 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.406 91.5 112.8 -95.6 2.5 41.5 30.0 48.6 386 620 A S S < S- 0 0 25 -3,-2.1 2,-0.2 -4,-0.2 3,-0.1 -0.426 79.1 -99.9 -74.2 150.2 41.7 33.8 48.3 387 621 A A - 0 0 93 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.529 50.6 -96.2 -68.7 134.3 38.5 35.9 47.9 388 622 A L - 0 0 58 -2,-0.2 2,-0.5 25,-0.1 -1,-0.1 -0.252 41.0-172.1 -53.7 126.7 38.1 36.9 44.2 389 623 A D > - 0 0 66 1,-0.2 4,-2.6 -3,-0.1 3,-0.4 -0.880 9.9-165.8-128.0 102.8 39.4 40.4 43.5 390 624 A V H > S+ 0 0 21 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.883 89.1 54.6 -56.2 -41.9 38.6 41.5 40.0 391 625 A G H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.932 112.7 44.3 -58.3 -40.6 41.0 44.4 40.1 392 626 A L H > S+ 0 0 8 -3,-0.4 4,-1.1 2,-0.2 -2,-0.2 0.896 111.8 51.3 -70.2 -43.7 43.8 41.9 41.0 393 627 A T H >< S+ 0 0 1 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.934 110.9 49.4 -59.7 -44.7 42.8 39.3 38.4 394 628 A M H >< S+ 0 0 1 -4,-2.7 3,-1.5 1,-0.2 4,-0.3 0.822 100.1 64.9 -66.2 -31.3 42.7 42.0 35.7 395 629 A Q H >< S+ 0 0 15 -4,-1.5 3,-0.9 1,-0.3 5,-0.3 0.890 101.2 50.8 -59.8 -35.2 46.1 43.2 36.6 396 630 A L T << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.457 106.0 56.4 -81.2 -5.6 47.5 39.8 35.6 397 631 A L T < S+ 0 0 0 -3,-1.5 -1,-0.2 -4,-0.3 38,-0.2 0.285 89.2 98.4-100.9 2.3 45.8 40.0 32.2 398 632 A D S X S- 0 0 11 -3,-0.9 3,-1.4 -4,-0.3 -3,-0.0 -0.070 96.4 -79.4 -85.9-169.8 47.3 43.3 31.0 399 633 A C T 3 S+ 0 0 8 1,-0.3 -1,-0.1 37,-0.0 -3,-0.1 0.593 118.4 72.4 -69.1 -10.5 50.2 44.0 28.7 400 634 A N T 3 S+ 0 0 76 -5,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.577 90.2 59.0 -82.0 -12.9 52.7 43.4 31.5 401 635 A F < + 0 0 10 -3,-1.4 -1,-0.1 1,-0.1 -198,-0.1 -0.949 43.5 160.3-124.0 113.6 52.3 39.6 31.7 402 636 A S + 0 0 19 -2,-0.5 2,-0.3 34,-0.1 -1,-0.1 0.494 44.3 112.9-101.5 -6.5 53.0 37.4 28.6 403 637 A D > - 0 0 3 1,-0.1 4,-2.3 34,-0.0 5,-0.2 -0.534 62.2-144.2 -74.8 127.7 53.5 34.2 30.6 404 638 A E H > S+ 0 0 96 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.870 97.5 46.0 -54.3 -46.9 50.8 31.6 29.9 405 639 A N H > S+ 0 0 56 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.903 109.7 52.5 -69.1 -41.9 50.7 30.2 33.4 406 640 A V H > S+ 0 0 0 1,-0.2 4,-1.0 2,-0.2 3,-0.2 0.944 114.5 43.8 -61.3 -43.6 50.6 33.6 35.2 407 641 A R H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.879 107.6 61.8 -71.4 -31.0 47.7 34.6 33.0 408 642 A A H X S+ 0 0 36 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.863 98.8 53.0 -63.0 -36.1 46.1 31.2 33.5 409 643 A I H X S+ 0 0 2 -4,-1.9 4,-1.5 -3,-0.2 -1,-0.2 0.861 108.0 53.2 -70.9 -26.6 45.7 31.7 37.3 410 644 A A H >X S+ 0 0 0 -4,-1.0 4,-1.8 -3,-0.2 3,-0.8 0.975 109.2 46.8 -66.1 -54.6 44.0 34.9 36.6 411 645 A V H 3X S+ 0 0 5 -4,-2.4 4,-1.6 1,-0.3 -2,-0.2 0.869 106.9 60.7 -55.8 -34.2 41.5 33.2 34.3 412 646 A Q H 3< S+ 0 0 58 -4,-2.2 4,-0.4 1,-0.2 -1,-0.3 0.876 104.5 47.8 -60.2 -38.2 41.1 30.6 37.0 413 647 A K H X< S+ 0 0 15 -4,-1.5 3,-1.2 -3,-0.8 -1,-0.2 0.848 106.2 57.5 -74.6 -31.5 39.9 33.2 39.4 414 648 A L H >< S+ 0 0 2 -4,-1.8 3,-2.8 1,-0.3 -1,-0.2 0.840 89.1 75.8 -65.9 -31.0 37.5 34.6 36.8 415 649 A E T 3< S+ 0 0 79 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.813 89.8 58.8 -48.9 -31.0 36.0 31.1 36.6 416 650 A S T < S+ 0 0 82 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.3 0.291 80.4 111.5 -84.4 4.7 34.2 31.9 39.9 417 651 A L < - 0 0 10 -3,-2.8 2,-0.1 1,-0.0 -3,-0.0 -0.622 67.1-125.7 -79.6 142.8 32.3 35.0 38.7 418 652 A E >> - 0 0 47 -2,-0.3 4,-1.9 1,-0.1 3,-1.6 -0.485 29.4-104.2 -81.2 157.5 28.6 34.8 38.4 419 653 A D H 3> S+ 0 0 57 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.854 119.5 61.4 -49.0 -41.5 27.0 35.7 35.0 420 654 A D H 3> S+ 0 0 8 -360,-0.4 4,-0.6 1,-0.2 -1,-0.3 0.825 109.2 42.5 -57.4 -33.0 25.8 39.1 36.3 421 655 A D H <> S+ 0 0 27 -3,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.829 106.3 59.6 -83.2 -37.3 29.5 40.0 36.9 422 656 A V H >X S+ 0 0 1 -4,-1.9 4,-1.4 1,-0.2 3,-0.5 0.939 104.9 52.3 -56.3 -41.8 30.7 38.6 33.7 423 657 A L H 3< S+ 0 0 25 -4,-2.3 4,-0.3 1,-0.3 -1,-0.2 0.828 106.0 54.4 -63.4 -32.8 28.3 41.0 32.0 424 658 A H H 3< S+ 0 0 35 -4,-0.6 -1,-0.3 -3,-0.2 -2,-0.2 0.808 121.3 28.1 -67.2 -36.4 29.8 43.9 33.9 425 659 A Y H S+ 0 0 2 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.883 113.4 46.9 -57.7 -42.4 34.0 44.4 27.2 428 662 A Q H > S+ 0 0 4 -3,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.825 110.9 50.9 -69.0 -35.6 37.2 44.7 29.2 429 663 A L H < S+ 0 0 1 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.933 113.1 47.4 -63.8 -42.6 37.9 41.0 29.2 430 664 A V H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 4,-0.4 0.927 110.9 49.2 -65.0 -45.7 37.4 41.0 25.4 431 665 A Q H >< S+ 0 0 6 -4,-2.6 3,-1.6 1,-0.3 -1,-0.3 0.880 104.3 63.1 -62.7 -29.2 39.6 44.0 25.0 432 666 A A G >< S+ 0 0 2 -4,-1.5 3,-1.3 1,-0.3 -1,-0.3 0.627 80.6 78.9 -72.4 -12.5 42.1 42.1 27.2 433 667 A V G X S+ 0 0 1 -3,-1.5 3,-1.3 -4,-0.5 -1,-0.3 0.780 82.3 69.3 -63.6 -21.7 42.4 39.3 24.6 434 668 A K G < S+ 0 0 4 -3,-1.6 -1,-0.2 -4,-0.4 -2,-0.2 0.701 92.8 56.1 -67.0 -22.5 44.7 41.8 22.7 435 669 A F G < S+ 0 0 9 -3,-1.3 -1,-0.3 -38,-0.2 -2,-0.2 0.485 83.6 105.6 -89.2 -5.9 47.4 41.4 25.4 436 670 A E < - 0 0 15 -3,-1.3 -34,-0.1 -4,-0.3 5,-0.0 -0.608 64.3-149.1 -73.0 129.9 47.4 37.6 24.9 437 671 A P S S+ 0 0 18 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.828 79.9 45.3 -71.3 -28.8 50.5 36.5 23.0 438 672 A Y S S- 0 0 22 1,-0.1 -2,-0.0 2,-0.1 -178,-0.0 -0.849 77.8-128.7-113.6 151.6 48.7 33.5 21.3 439 673 A H S S+ 0 0 17 -2,-0.3 2,-0.7 1,-0.1 -1,-0.1 0.913 101.3 57.6 -62.5 -44.0 45.4 33.2 19.6 440 674 A D S S+ 0 0 37 -410,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.807 78.0 148.2 -89.8 120.9 44.3 30.2 21.6 441 675 A S > - 0 0 14 -2,-0.7 4,-2.1 1,-0.1 5,-0.2 -0.962 61.3-107.6-148.7 163.9 44.5 31.2 25.3 442 676 A A H > S+ 0 0 46 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.901 119.1 53.1 -62.3 -40.3 42.7 30.5 28.5 443 677 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.941 108.3 48.7 -60.5 -46.1 41.1 33.9 28.4 444 678 A A H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.898 112.5 49.0 -61.2 -37.8 39.6 33.4 24.9 445 679 A R H X S+ 0 0 76 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.858 108.0 54.5 -71.5 -35.1 38.3 30.0 26.0 446 680 A F H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.894 109.5 46.4 -63.9 -42.1 36.7 31.5 29.1 447 681 A L H X S+ 0 0 4 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.960 112.5 50.9 -66.8 -46.7 34.9 34.1 27.1 448 682 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.932 112.6 47.7 -48.3 -52.6 33.8 31.4 24.6 449 683 A K H X S+ 0 0 58 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.936 113.3 44.8 -60.5 -49.2 32.5 29.2 27.4 450 684 A R H X S+ 0 0 5 -4,-2.6 4,-1.1 1,-0.2 8,-0.2 0.856 113.2 51.2 -69.2 -34.0 30.6 31.9 29.3 451 685 A G H < S+ 0 0 0 -4,-2.7 7,-0.6 -5,-0.2 3,-0.2 0.894 111.8 46.0 -66.9 -42.5 29.0 33.2 26.1 452 686 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.674 109.7 56.3 -73.0 -19.3 27.8 29.8 25.0 453 687 A R H < S+ 0 0 86 -4,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.785 116.0 34.3 -81.3 -28.0 26.6 29.1 28.5 454 688 A N X - 0 0 14 -4,-1.1 4,-2.4 -3,-0.2 -1,-0.2 -0.995 65.3-147.6-136.3 129.0 24.3 32.2 28.5 455 689 A K H > S+ 0 0 32 -2,-0.4 4,-2.4 -401,-0.3 5,-0.2 0.832 99.5 52.2 -63.7 -35.4 22.4 33.9 25.7 456 690 A R H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.933 112.2 44.1 -71.5 -41.3 22.8 37.4 27.0 457 691 A I H > S+ 0 0 1 -7,-0.2 4,-3.0 1,-0.2 5,-0.2 0.912 113.9 53.1 -68.8 -38.3 26.5 37.2 27.4 458 692 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 -7,-0.6 -2,-0.2 0.923 106.7 51.5 -63.0 -39.8 26.6 35.5 24.0 459 693 A H H X S+ 0 0 7 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.967 116.1 39.9 -61.1 -51.9 24.7 38.4 22.4 460 694 A F H X S+ 0 0 25 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.882 110.6 57.4 -66.7 -38.1 27.0 41.0 23.7 461 695 A L H X S+ 0 0 1 -4,-3.0 4,-2.0 -5,-0.2 5,-0.3 0.947 106.7 53.2 -56.6 -44.5 30.1 38.9 23.1 462 696 A F H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 3,-0.4 0.962 111.4 42.1 -55.2 -57.5 29.0 38.8 19.5 463 697 A W H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.860 113.5 53.0 -62.3 -34.1 28.6 42.6 19.1 464 698 A F H X S+ 0 0 12 -4,-2.5 4,-1.0 2,-0.2 -1,-0.2 0.819 113.8 42.7 -69.5 -33.0 31.8 43.3 21.0 465 699 A L H X S+ 0 0 2 -4,-2.0 4,-2.6 -3,-0.4 3,-0.2 0.891 114.5 50.1 -77.7 -45.5 33.8 40.9 18.8 466 700 A R H X S+ 0 0 26 -4,-3.0 4,-2.2 -5,-0.3 -2,-0.2 0.861 105.3 59.1 -58.5 -36.7 32.2 42.2 15.6 467 701 A S H X S+ 0 0 0 -4,-2.1 4,-0.6 -5,-0.3 -1,-0.2 0.904 112.5 38.2 -58.1 -46.2 32.9 45.8 16.7 468 702 A E H X S+ 0 0 4 -4,-1.0 4,-2.4 -3,-0.2 3,-0.4 0.848 112.3 56.2 -75.3 -41.5 36.7 45.1 16.8 469 703 A I H < S+ 0 0 0 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 106.5 52.5 -58.8 -39.7 36.7 42.8 13.7 470 704 A A H < S+ 0 0 43 -4,-2.2 170,-0.3 -5,-0.2 -1,-0.2 0.728 126.4 17.1 -68.1 -34.0 35.2 45.6 11.6 471 705 A Q H < S+ 0 0 35 -4,-0.6 2,-0.7 -3,-0.4 -1,-0.2 0.417 104.3 81.3-122.9 -5.6 37.6 48.3 12.5 472 706 A S X - 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0 0 202 2,-0.0 100,-0.0 0, 0.0 0, 0.0 -0.860 360.0-161.4-134.7 166.3 40.1 74.4 32.8 737 983 A V - 0 0 21 -2,-0.3 -25,-0.1 1,-0.1 3,-0.1 -0.981 27.6-127.3-141.9 145.2 37.5 73.1 35.2 738 984 A P S S- 0 0 18 0, 0.0 -27,-0.3 0, 0.0 2,-0.3 0.801 81.8 -28.9 -67.8 -31.2 37.2 69.6 36.9 739 985 A F S S- 0 0 1 86,-0.2 2,-0.7 -28,-0.1 -27,-0.1 -0.931 77.5 -72.3-166.8-175.3 33.6 69.0 35.8 740 986 A V + 0 0 8 -2,-0.3 2,-0.1 -29,-0.2 -35,-0.1 -0.849 54.9 139.2-104.5 110.2 30.3 70.7 35.0 741 987 A L - 0 0 1 -2,-0.7 92,-0.1 92,-0.2 -1,-0.1 -0.609 31.4-177.4-144.9 88.0 28.3 72.3 37.8 742 988 A T >> - 0 0 6 -2,-0.1 4,-2.4 1,-0.1 3,-1.0 -0.353 42.6 -96.7 -90.5 163.1 27.0 75.6 36.4 743 989 A P H 3> S+ 0 0 22 0, 0.0 4,-2.0 0, 0.0 8,-0.1 0.680 122.2 56.7 -48.8 -33.5 25.0 78.3 38.1 744 990 A D H 3> S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.886 108.3 45.8 -68.6 -40.1 21.7 76.9 36.7 745 991 A F H <> S+ 0 0 0 -3,-1.0 4,-1.2 1,-0.2 3,-0.4 0.955 114.7 49.8 -63.6 -44.1 22.3 73.5 38.2 746 992 A L H <>S+ 0 0 17 -4,-2.4 5,-1.9 1,-0.2 3,-0.4 0.881 105.7 56.9 -59.1 -40.5 23.2 75.4 41.3 747 993 A F H ><5S+ 0 0 59 -4,-2.0 3,-1.4 1,-0.3 -1,-0.2 0.839 102.8 53.3 -60.6 -38.9 20.0 77.3 41.0 748 994 A V H 3<5S+ 0 0 5 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.798 103.1 59.7 -67.0 -26.2 18.0 74.1 41.1 749 995 A M T 3<5S- 0 0 0 -4,-1.2 11,-0.8 -3,-0.4 10,-0.4 0.421 120.7-110.2 -83.6 1.7 19.8 73.4 44.3 750 996 A G T < 5S+ 0 0 51 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.552 82.1 110.0 81.7 11.4 18.4 76.5 45.8 751 997 A T < + 0 0 11 -5,-1.9 -1,-0.3 4,-0.1 2,-0.3 -0.730 36.0 169.5-118.7 160.9 21.7 78.4 45.9 752 998 A S + 0 0 70 -2,-0.2 4,-0.1 4,-0.1 -8,-0.0 -0.883 61.0 21.5-163.7 144.6 23.2 81.4 44.1 753 999 A G S S- 0 0 78 -2,-0.3 -1,-0.1 1,-0.2 77,-0.0 0.965 129.9 -52.6 59.5 54.4 26.3 83.6 44.4 754 1000 A K S S+ 0 0 92 1,-0.1 -1,-0.2 76,-0.1 2,-0.1 0.902 103.9 134.2 44.4 59.1 28.4 81.1 46.4 755 1001 A K - 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0 0 63 -2,-0.3 5,-1.0 1,-0.2 4,-0.9 -0.437 27.3-138.9 -59.7 116.8 51.8 57.8 27.1 798 1044 A S T 45S+ 0 0 45 -2,-0.4 -1,-0.2 3,-0.1 -8,-0.0 0.452 96.2 26.4 -60.8 -4.7 51.8 54.6 29.2 799 1045 A K T >5S+ 0 0 157 3,-0.1 4,-1.8 4,-0.0 3,-0.3 0.487 120.1 39.4-118.4 -81.7 52.6 56.9 32.1 800 1046 A E H >5S+ 0 0 151 1,-0.3 4,-0.7 2,-0.2 -2,-0.1 0.757 117.6 47.0 -49.3 -45.7 51.5 60.5 32.0 801 1047 A D H ><5S+ 0 0 72 -4,-0.9 3,-1.1 1,-0.2 4,-0.4 0.976 117.5 44.8 -59.5 -50.8 48.1 59.9 30.4 802 1048 A I H >> S+ 0 0 1 -3,-0.6 4,-2.3 -4,-0.4 -1,-0.2 0.800 105.0 56.5 -58.5 -32.5 43.5 58.8 37.5 806 1052 A R H <>S+ 0 0 55 -4,-0.6 5,-2.0 -3,-0.3 -1,-0.2 0.956 112.6 42.0 -64.1 -48.6 46.1 58.2 40.3 807 1053 A D H ><5S+ 0 0 94 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.920 112.4 53.9 -63.1 -44.8 46.0 61.9 41.1 808 1054 A A H 3<5S+ 0 0 1 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.871 111.1 44.4 -60.3 -39.1 42.2 62.1 40.7 809 1055 A L T 3<5S- 0 0 0 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.337 108.0-134.0 -84.9 4.3 41.6 59.3 43.2 810 1056 A T T X 5 - 0 0 16 -3,-1.5 3,-1.5 1,-0.1 -3,-0.2 0.858 27.1-157.9 47.1 47.3 44.2 61.0 45.3 811 1057 A V T 3 - 0 0 84 -2,-0.2 4,-1.3 -3,-0.1 3,-0.3 -0.406 42.4 -92.3 -84.7 174.2 43.6 59.5 54.1 815 1061 A E H > S+ 0 0 93 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.850 120.1 58.9 -55.8 -41.8 39.9 60.2 54.0 816 1062 A E H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 106.7 45.6 -58.3 -47.4 40.1 63.8 55.3 817 1063 A D H > S+ 0 0 77 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.801 111.3 55.2 -68.2 -29.6 42.4 65.1 52.6 818 1064 A A H X S+ 0 0 2 -4,-1.3 4,-2.6 2,-0.2 5,-0.2 0.974 108.0 45.4 -66.8 -57.0 40.2 63.4 49.9 819 1065 A K H X S+ 0 0 90 -4,-2.4 4,-2.8 1,-0.2 5,-0.3 0.949 114.1 51.8 -51.6 -49.7 37.0 65.0 50.9 820 1066 A K H X S+ 0 0 115 -4,-2.2 4,-2.4 -5,-0.3 5,-0.3 0.932 107.2 52.3 -50.8 -49.6 38.9 68.3 51.1 821 1067 A Y H X S+ 0 0 76 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.933 113.5 43.2 -56.6 -47.1 40.3 67.8 47.6 822 1068 A F H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.920 110.2 53.5 -67.5 -45.9 36.9 67.2 46.1 823 1069 A L H X S+ 0 0 46 -4,-2.8 4,-1.5 1,-0.2 -1,-0.2 0.908 110.5 49.0 -55.8 -40.3 35.0 70.0 48.0 824 1070 A D H X S+ 0 0 71 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.908 106.8 56.5 -64.5 -39.4 37.7 72.4 46.7 825 1071 A Q H X S+ 0 0 31 -4,-1.8 4,-1.2 -5,-0.3 -1,-0.2 0.889 105.3 51.3 -57.2 -40.8 37.1 70.9 43.3 826 1072 A I H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.819 107.3 53.9 -66.3 -32.3 33.4 71.9 43.7 827 1073 A E H X S+ 0 0 55 -4,-1.5 4,-2.4 -3,-0.2 3,-0.3 0.907 99.5 61.2 -70.4 -42.9 34.4 75.4 44.6 828 1074 A V H X S+ 0 0 47 -4,-2.3 4,-2.0 1,-0.3 -1,-0.2 0.898 102.6 50.1 -51.9 -46.4 36.5 75.8 41.4 829 1075 A C H X S+ 0 0 5 -4,-1.2 4,-1.2 1,-0.2 -1,-0.3 0.881 110.9 52.3 -58.5 -39.6 33.5 75.3 39.1 830 1076 A R H < S+ 0 0 36 -4,-1.0 3,-0.3 -3,-0.3 -2,-0.2 0.920 108.8 47.0 -62.7 -47.6 31.6 77.9 41.2 831 1077 A D H < S+ 0 0 104 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.838 113.7 50.3 -64.5 -33.1 34.4 80.6 40.9 832 1078 A K H >< S+ 0 0 53 -4,-2.0 3,-2.7 -5,-0.3 -1,-0.2 0.722 83.5 169.5 -78.3 -23.0 34.5 79.9 37.2 833 1079 A G T 3< S- 0 0 22 -4,-1.2 4,-0.2 -3,-0.3 -1,-0.2 -0.241 71.0 -16.0 54.0-120.7 30.8 80.2 36.8 834 1080 A W T 3> S+ 0 0 43 1,-0.1 4,-2.8 -3,-0.1 -1,-0.3 0.301 107.3 109.1 -97.0 2.1 29.8 80.4 33.1 835 1081 A T H <> S+ 0 0 57 -3,-2.7 4,-2.1 2,-0.2 5,-0.2 0.921 80.2 37.3 -45.9 -66.7 33.4 81.1 31.9 836 1082 A V H > S+ 0 0 16 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.932 117.3 52.6 -57.6 -46.6 34.4 77.8 30.3 837 1083 A Q H >> S+ 0 0 9 1,-0.2 3,-0.7 -4,-0.2 4,-0.5 0.942 110.8 48.3 -51.6 -52.0 30.9 77.3 28.8 838 1084 A F H >X S+ 0 0 89 -4,-2.8 3,-1.1 1,-0.2 4,-0.7 0.855 105.3 59.3 -58.1 -38.9 31.1 80.7 27.3 839 1085 A N H >X S+ 0 0 51 -4,-2.1 4,-1.7 1,-0.2 3,-0.6 0.815 88.8 72.2 -64.0 -31.0 34.5 80.1 25.9 840 1086 A W H << S+ 0 0 112 -4,-1.5 4,-0.5 -3,-0.7 -1,-0.2 0.857 97.8 49.3 -56.1 -32.0 33.3 77.2 23.8 841 1087 A F H << S+ 0 0 57 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.2 0.764 108.5 49.9 -75.4 -33.1 31.5 79.7 21.5 842 1088 A L H X< S+ 0 0 74 -4,-0.7 3,-4.0 -3,-0.6 -2,-0.2 0.841 94.9 68.3 -80.0 -35.6 34.3 82.1 20.8 843 1089 A H T 3< S+ 0 0 123 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.850 97.3 58.2 -52.6 -28.8 36.9 79.6 19.9 844 1090 A L T 3 0 0 134 -4,-0.5 -1,-0.3 1,-0.2 -2,-0.2 0.438 360.0 360.0 -80.0 -0.7 34.7 79.1 16.8 845 1091 A V < 0 0 161 -3,-4.0 -2,-0.3 0, 0.0 -1,-0.2 0.388 360.0 360.0-150.9 360.0 35.2 82.7 16.1