==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/INHIBITOR 16-MAR-06 2CHW . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Z.A.KNIGHT,B.GONZALEZ,M.E.FELDMAN,E.R.ZUNDER,D.D.GOLDENBERG, . 840 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 68.7 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 12.7 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 . 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 . 59 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 94 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.1 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 2 3 1 3 4 2 2 1 2 1 1 3 0 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 . 4 3 3 3 3 3 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 . 0 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 1 144 A S > 0 0 105 0, 0.0 4,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 150.2 36.8 -30.1 50.7 2 145 A E H >> + 0 0 139 1,-0.2 4,-1.4 2,-0.2 3,-0.9 0.896 360.0 52.0 -57.2 -47.9 38.9 -27.8 53.0 3 146 A E H 3> S+ 0 0 138 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 106.7 53.9 -56.9 -43.4 41.1 -26.4 50.2 4 147 A S H 3> S+ 0 0 38 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.647 102.0 58.2 -71.5 -19.2 38.1 -25.5 48.1 5 148 A Q H X S+ 0 0 88 -4,-1.3 4,-2.3 2,-0.2 3,-0.9 0.998 108.7 48.9 -59.9 -70.3 40.1 -16.3 46.9 11 154 A L H 3X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 6,-0.2 0.791 110.0 54.8 -38.2 -38.7 37.5 -16.1 44.1 12 155 A T H 3X>S+ 0 0 31 -4,-2.0 4,-2.7 2,-0.2 5,-0.7 0.917 109.6 42.7 -70.4 -42.0 35.4 -13.7 46.3 13 156 A A H <<5S+ 0 0 65 -4,-1.8 -2,-0.2 -3,-0.9 -1,-0.2 0.806 116.5 49.5 -76.5 -29.4 38.2 -11.1 46.9 14 157 A L H <5S+ 0 0 5 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.891 117.5 40.6 -65.9 -45.4 39.2 -11.3 43.3 15 158 A I H <5S- 0 0 1 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.816 97.7-137.7 -75.6 -36.9 35.5 -10.9 42.2 16 159 A G T <5S+ 0 0 46 -4,-2.7 2,-0.3 -5,-0.2 -3,-0.2 0.626 77.8 70.0 81.3 16.3 34.6 -8.3 44.7 17 160 A Y S S+ 0 0 59 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.073 71.3 123.2-113.4 35.2 17.7 -20.5 42.5 29 172 A E H > S+ 0 0 7 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.979 77.1 48.7 -63.3 -58.1 18.6 -19.1 39.1 30 173 A L H > S+ 0 0 26 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.857 114.1 46.7 -45.0 -46.0 22.2 -18.0 40.0 31 174 A E H > S+ 0 0 65 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.899 111.2 49.8 -70.4 -41.1 22.9 -21.4 41.5 32 175 A F H X S+ 0 0 77 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.908 113.9 49.2 -57.8 -43.8 21.5 -23.4 38.6 33 176 A T H X S+ 0 0 2 -4,-3.1 4,-2.3 2,-0.3 -2,-0.2 0.872 104.1 55.0 -66.5 -43.0 23.7 -21.1 36.4 34 177 A R H < S+ 0 0 42 -4,-2.6 4,-0.3 1,-0.2 -1,-0.2 0.901 115.5 42.6 -54.8 -38.2 26.9 -21.6 38.4 35 178 A R H >X S+ 0 0 168 -4,-1.8 3,-0.6 1,-0.2 4,-0.5 0.788 111.3 55.7 -78.9 -28.0 26.2 -25.3 37.8 36 179 A G H 3< S+ 0 0 15 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.825 102.5 55.3 -71.3 -30.2 25.2 -24.7 34.2 37 180 A L T 3X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.583 88.6 79.4 -83.1 -7.2 28.5 -22.9 33.3 38 181 A V H <> S+ 0 0 41 -3,-0.6 4,-2.7 -4,-0.3 5,-0.3 0.949 90.8 50.4 -66.5 -50.3 30.6 -25.9 34.5 39 182 A T H X S+ 0 0 104 -4,-0.5 4,-2.6 -3,-0.3 -1,-0.2 0.950 111.1 45.2 -53.1 -59.9 30.1 -27.9 31.3 40 183 A P H > S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.775 115.9 49.6 -62.5 -26.8 31.0 -25.3 28.8 41 184 A R H >X S+ 0 0 2 -4,-1.4 4,-3.2 2,-0.2 3,-0.5 0.982 110.5 45.5 -69.6 -61.7 34.0 -24.3 30.8 42 185 A M H 3X S+ 0 0 85 -4,-2.7 4,-2.2 1,-0.3 -3,-0.2 0.856 111.2 60.0 -50.2 -36.6 35.5 -27.7 31.3 43 186 A A H 3X S+ 0 0 53 -4,-2.6 4,-0.8 -5,-0.3 -1,-0.3 0.931 110.9 35.5 -54.6 -54.4 34.8 -28.1 27.6 44 187 A E H - 0 0 79 1,-0.2 4,-3.2 405,-0.2 5,-0.3 -0.743 23.4-148.8 -82.1 108.5 46.3 -26.0 23.1 50 193 A P H > S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.825 93.9 49.0 -50.4 -40.3 48.3 -25.5 26.3 51 194 A K H > S+ 0 0 89 2,-0.2 4,-1.3 1,-0.2 5,-0.2 0.940 115.7 39.9 -65.2 -55.4 51.3 -24.2 24.4 52 195 A L H > S+ 0 0 64 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 114.4 56.4 -65.3 -34.8 49.5 -21.7 22.2 53 196 A Y H < S+ 0 0 6 -4,-3.2 403,-0.4 2,-0.2 -2,-0.2 0.905 105.2 50.6 -60.2 -44.8 47.4 -20.7 25.3 54 197 A A H < S+ 0 0 6 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.835 119.5 35.6 -66.2 -33.1 50.4 -19.9 27.4 55 198 A M H < S- 0 0 1 -4,-1.3 69,-0.4 -5,-0.1 -1,-0.2 0.601 87.9-161.6 -97.2 -15.4 52.0 -17.6 24.7 56 199 A H < - 0 0 20 -4,-1.9 68,-0.2 1,-0.2 2,-0.2 0.825 12.4-146.0 39.7 56.8 48.6 -16.2 23.5 57 200 A P - 0 0 27 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 -0.362 5.8-136.7 -57.5 120.6 49.9 -14.9 20.2 58 201 A W + 0 0 70 66,-0.3 77,-1.3 -3,-0.2 78,-0.4 -0.731 43.7 164.2 -75.7 116.2 47.9 -11.8 19.3 59 202 A V B -A 134 0A 35 -2,-0.6 362,-0.4 75,-0.2 2,-0.3 -0.923 28.1-158.8-142.7 151.4 47.2 -12.3 15.6 60 203 A T - 0 0 1 73,-2.4 360,-0.0 -2,-0.3 73,-0.0 -0.866 16.1-159.8-129.7 166.2 45.0 -11.2 12.8 61 204 A S + 0 0 80 -2,-0.3 3,-0.1 2,-0.1 -1,-0.1 0.245 60.8 114.8-124.2 2.3 43.8 -12.6 9.4 62 205 A K S S- 0 0 65 1,-0.1 -2,-0.1 71,-0.1 2,-0.1 -0.324 76.9-101.1 -61.8 154.1 43.0 -9.2 8.0 63 206 A P - 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.410 41.5 -98.4 -70.3 160.0 45.0 -8.1 5.0 64 207 A L - 0 0 7 1,-0.1 69,-0.1 -3,-0.1 5,-0.0 -0.681 47.3-119.1 -76.5 129.7 47.8 -5.6 5.7 65 208 A P >> - 0 0 8 0, 0.0 4,-0.8 0, 0.0 3,-0.6 -0.151 17.2-110.4 -69.4 171.0 46.5 -2.1 4.8 66 209 A E H 3> S+ 0 0 135 557,-0.2 4,-2.3 1,-0.2 3,-0.5 0.849 111.0 63.6 -70.5 -37.5 48.0 0.1 2.1 67 210 A Y H 34 S+ 0 0 51 1,-0.3 -1,-0.2 559,-0.2 561,-0.0 0.708 109.5 42.3 -65.7 -18.2 49.4 2.8 4.5 68 211 A L H X4 S+ 0 0 4 -3,-0.6 3,-0.6 2,-0.1 4,-0.5 0.579 106.1 60.2-101.3 -14.4 51.7 0.1 5.9 69 212 A W H >< S+ 0 0 84 -4,-0.8 3,-1.6 -3,-0.5 -2,-0.2 0.903 97.2 61.2 -71.2 -40.5 52.6 -1.5 2.6 70 213 A K T 3< S+ 0 0 180 -4,-2.3 3,-0.2 1,-0.3 -1,-0.2 0.452 102.7 55.9 -59.7 1.5 54.0 2.0 1.6 71 214 A K T < S+ 0 0 108 -3,-0.6 2,-0.5 1,-0.2 -1,-0.3 0.587 103.0 49.5-110.0 -22.7 56.3 1.2 4.6 72 215 A I S X S+ 0 0 8 -3,-1.6 2,-1.6 -4,-0.5 3,-1.1 -0.665 72.3 169.5-107.9 69.3 57.7 -2.1 3.4 73 216 A A T 3 S+ 0 0 83 -2,-0.5 -3,-0.1 -3,-0.2 -4,-0.1 -0.071 71.2 37.6 -76.6 41.3 58.5 -0.6 0.0 74 217 A N T 3 S- 0 0 113 -2,-1.6 -1,-0.2 -5,-0.2 3,-0.1 0.316 108.7-101.5-174.7 13.6 60.6 -3.7 -0.9 75 218 A N S < S+ 0 0 95 -3,-1.1 2,-0.3 -6,-0.2 -2,-0.1 0.911 88.9 111.8 46.2 49.1 59.0 -7.0 0.3 76 219 A C - 0 0 37 17,-0.1 2,-0.4 18,-0.0 17,-0.2 -0.981 45.4-170.8-152.1 139.1 61.5 -7.1 3.2 77 220 A I E -B 92 0B 7 15,-3.9 15,-1.2 -2,-0.3 2,-0.3 -0.986 15.2-139.1-140.6 125.7 61.2 -6.7 7.0 78 221 A F E -B 91 0B 120 -2,-0.4 69,-0.6 13,-0.2 2,-0.4 -0.618 15.6-173.3 -90.3 140.5 64.0 -6.4 9.6 79 222 A I E -Bc 90 147B 10 11,-1.1 11,-1.7 -2,-0.3 2,-1.0 -0.992 15.5-147.8-134.4 123.2 63.9 -8.1 13.0 80 223 A V E -Bc 89 148B 23 67,-2.1 69,-2.4 -2,-0.4 2,-0.3 -0.785 19.2-168.3 -95.8 99.4 66.5 -7.5 15.8 81 224 A I E -Bc 88 149B 9 7,-1.6 7,-1.5 -2,-1.0 2,-0.3 -0.654 3.7-165.4 -84.5 142.7 66.9 -10.8 17.7 82 225 A H E -Bc 87 150B 47 67,-2.0 69,-2.3 -2,-0.3 5,-0.2 -0.922 16.5-179.3-123.3 150.9 68.8 -10.7 21.1 83 226 A R S S- 0 0 129 3,-3.0 -1,-0.1 -2,-0.3 68,-0.1 0.476 76.2 -30.4-106.3-100.5 70.3 -13.3 23.3 84 227 A S S S- 0 0 95 66,-0.1 -2,-0.0 3,-0.0 67,-0.0 0.892 125.4 -41.1 -77.9 -90.0 72.0 -12.2 26.5 85 228 A T S S+ 0 0 146 -3,-0.1 2,-0.4 2,-0.0 -3,-0.0 -0.379 119.6 104.5-127.1 54.5 73.1 -8.8 25.4 86 229 A T + 0 0 103 2,-0.0 -3,-3.0 0, 0.0 2,-0.3 -0.982 46.6 168.5-125.9 141.4 74.3 -10.0 21.9 87 230 A S E -B 82 0B 61 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.986 19.1-177.3-154.7 158.1 72.2 -9.3 18.8 88 231 A Q E -B 81 0B 146 -7,-1.5 -7,-1.6 -2,-0.3 2,-0.4 -0.965 28.3-112.5-154.5 162.5 72.0 -9.3 15.0 89 232 A T E -B 80 0B 76 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.812 25.6-151.8-106.8 138.9 69.5 -8.3 12.3 90 233 A I E -B 79 0B 6 -11,-1.7 -11,-1.1 -2,-0.4 2,-0.6 -0.885 13.8-130.1-116.8 141.3 67.7 -10.7 10.0 91 234 A K E +B 78 0B 157 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.2 -0.812 40.1 170.0 -86.4 118.2 66.3 -10.3 6.5 92 235 A V E -B 77 0B 3 -15,-1.2 -15,-3.9 -2,-0.6 9,-0.1 -0.966 30.8-134.5-135.4 144.0 62.7 -11.5 6.4 93 236 A S > - 0 0 28 -2,-0.3 3,-3.0 -17,-0.2 38,-0.1 -0.797 33.6-112.1 -95.5 143.7 59.7 -11.4 4.0 94 237 A P T 3 S+ 0 0 0 0, 0.0 38,-2.2 0, 0.0 39,-0.3 0.764 116.6 53.7 -39.3 -36.2 56.2 -10.4 5.3 95 238 A D T 3 S+ 0 0 87 36,-0.2 36,-0.2 35,-0.1 34,-0.0 0.558 79.4 116.2 -84.2 -12.4 55.0 -14.0 4.7 96 239 A D < - 0 0 46 -3,-3.0 35,-2.1 34,-0.2 36,-0.2 -0.304 60.0-135.0 -58.7 139.0 57.7 -15.8 6.6 97 240 A T - 0 0 41 33,-0.2 31,-0.1 34,-0.1 5,-0.1 -0.399 24.2-106.9 -84.4 166.9 56.4 -17.7 9.6 98 241 A P S > S+ 0 0 6 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.814 127.2 48.2 -57.0 -32.6 57.9 -17.7 13.2 99 242 A G H >> S+ 0 0 19 1,-0.2 2,-2.2 28,-0.2 4,-1.7 0.950 105.0 57.5 -70.1 -53.5 59.0 -21.3 12.2 100 243 A A H 34 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 -3,-0.1 -0.361 106.3 50.7 -74.7 56.7 60.5 -20.1 8.9 101 244 A I H 3> S+ 0 0 5 -2,-2.2 4,-2.0 -3,-0.4 -1,-0.2 0.171 104.5 54.2-158.6 -30.0 62.8 -17.6 10.7 102 245 A L H 4 S+ 0 0 35 -5,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.856 110.2 54.5 -82.6 -41.9 66.8 -19.4 8.7 105 248 A F H 3< S+ 0 0 37 -4,-2.0 -2,-0.2 1,-0.3 -3,-0.2 0.796 109.9 46.8 -62.8 -34.3 68.3 -17.8 11.8 106 249 A F T 3< S+ 0 0 92 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.397 110.4 52.5 -89.0 -1.0 70.3 -21.0 12.6 107 250 A T S < S+ 0 0 119 -3,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.279 112.1 47.9-100.1 -2.8 71.3 -21.1 8.9 108 251 A K S S+ 0 0 120 1,-0.3 2,-0.4 -3,-0.1 -2,-0.2 0.381 116.6 45.6-111.8 -7.3 72.4 -17.5 9.7 109 252 A M + 0 0 81 -5,-0.1 -1,-0.3 1,-0.1 -4,-0.0 -0.905 67.0 171.9-136.6 109.2 74.2 -18.6 12.9 110 253 A A 0 0 82 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.881 360.0 360.0 -77.5 -98.1 76.4 -21.7 12.5 111 254 A K 0 0 231 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 -0.503 360.0 360.0 -75.4 360.0 78.5 -22.5 15.6 112 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 113 269 A D 0 0 182 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -93.9 63.1 -25.8 20.3 114 270 A F - 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0 0 10 1,-0.1 3,-1.3 2,-0.1 -1,-0.1 0.082 37.2-103.7 -68.3 172.4 18.0 2.1 9.3 330 563 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.747 119.1 51.1 -71.4 -13.4 17.8 0.3 12.5 331 564 A L T 3 S+ 0 0 41 2,-0.1 -2,-0.1 472,-0.1 473,-0.1 0.355 78.2 110.4-103.9 0.5 16.1 3.2 14.2 332 565 A N S < S- 0 0 51 -3,-1.3 2,-0.2 -7,-0.1 0, 0.0 -0.639 74.4-116.6 -74.1 134.1 13.3 3.9 11.8 333 566 A P - 0 0 82 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.472 19.4-126.2 -77.1 142.0 10.0 2.9 13.4 334 567 A L - 0 0 32 -2,-0.2 -9,-0.0 27,-0.1 2,-0.0 -0.806 21.1-139.6 -89.6 120.1 8.0 0.1 12.0 335 568 A T > - 0 0 76 -2,-0.7 4,-3.0 1,-0.1 5,-0.1 -0.252 24.7-111.5 -58.2 154.3 4.4 1.0 11.3 336 569 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.928 124.9 47.7 -52.5 -49.4 1.6 -1.5 12.1 337 570 A E H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 109.7 53.0 -59.8 -45.0 1.1 -1.9 8.3 338 571 A D H > S+ 0 0 30 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.947 110.5 48.4 -50.5 -53.4 4.9 -2.3 8.0 339 572 A K H X S+ 0 0 77 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.840 110.8 48.1 -57.2 -42.9 4.7 -5.0 10.6 340 573 A E H X S+ 0 0 134 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.838 110.3 54.2 -71.3 -30.2 1.8 -6.9 9.0 341 574 A L H X S+ 0 0 20 -4,-2.4 4,-2.0 -5,-0.2 -2,-0.2 0.985 110.9 44.9 -63.3 -55.4 3.6 -6.7 5.6 342 575 A L H < S+ 0 0 0 -4,-2.5 7,-0.3 1,-0.2 -2,-0.2 0.893 115.4 48.7 -54.0 -45.8 6.8 -8.3 7.1 343 576 A W H >< S+ 0 0 40 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.960 111.1 45.8 -66.1 -52.1 4.8 -11.0 8.9 344 577 A H H 3< S+ 0 0 137 -4,-2.5 3,-0.2 1,-0.3 -1,-0.2 0.811 121.9 39.5 -63.1 -31.1 2.6 -12.1 6.0 345 578 A F T 3X S+ 0 0 36 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.3 -0.263 75.3 134.1-108.2 45.0 5.6 -12.2 3.7 346 579 A R H <> + 0 0 37 -3,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.836 69.0 55.4 -59.8 -32.3 7.9 -13.6 6.4 347 580 A Y H > S+ 0 0 102 -3,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.919 109.7 42.3 -73.6 -43.9 9.2 -16.2 3.9 348 581 A E H >4 S+ 0 0 26 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.899 114.8 55.3 -61.8 -38.3 10.3 -13.7 1.3 349 582 A S H >< S+ 0 0 0 -4,-2.5 3,-1.5 -7,-0.3 6,-0.3 0.793 96.9 63.7 -60.9 -30.6 11.6 -11.7 4.3 350 583 A L H 3< S+ 0 0 11 -4,-1.4 -1,-0.2 1,-0.3 34,-0.2 0.703 89.1 68.8 -71.7 -18.1 13.7 -14.7 5.4 351 584 A K T << S+ 0 0 110 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.518 92.8 66.2 -75.3 -7.1 15.8 -14.5 2.3 352 585 A H X> - 0 0 60 -3,-1.5 3,-3.0 1,-0.1 4,-0.5 -0.891 65.6-160.7-126.1 98.3 17.3 -11.2 3.4 353 586 A P G >4 S+ 0 0 25 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.829 93.2 63.1 -38.4 -40.0 19.5 -11.3 6.5 354 587 A K G 34 S+ 0 0 113 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.672 95.1 59.1 -68.2 -15.8 19.0 -7.6 6.9 355 588 A A G <> S+ 0 0 0 -3,-3.0 4,-3.1 -6,-0.3 -1,-0.3 0.592 79.9 91.2 -87.0 -13.6 15.2 -8.1 7.4 356 589 A Y H S+ 0 0 9 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.957 118.4 42.2 -49.5 -51.7 15.7 -7.4 13.1 358 591 A K H 4 S+ 0 0 14 -4,-0.4 3,-0.4 1,-0.2 -2,-0.2 0.891 114.4 51.3 -67.6 -34.6 12.6 -6.0 11.6 359 592 A L H >< S+ 0 0 0 -4,-3.1 3,-1.8 1,-0.2 -1,-0.2 0.915 109.6 47.6 -69.1 -43.0 10.9 -9.3 11.0 360 593 A F H 3< S+ 0 0 0 -4,-2.7 -1,-0.2 1,-0.3 3,-0.2 0.588 109.0 54.6 -78.9 -12.0 11.3 -10.6 14.6 361 594 A S T 3< S+ 0 0 29 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.093 99.0 63.9-102.0 13.2 10.1 -7.4 15.9 362 595 A S S < S+ 0 0 10 -3,-1.8 2,-0.4 -5,-0.1 -2,-0.2 0.231 81.6 110.4-107.0 1.2 7.0 -7.9 13.8 363 596 A V S S- 0 0 2 -3,-0.2 2,-1.3 1,-0.1 3,-0.1 -0.660 71.8-134.7 -82.4 132.6 6.1 -10.9 15.8 364 597 A K > - 0 0 124 -2,-0.4 3,-1.0 1,-0.2 7,-0.2 -0.767 28.0-178.0 -79.8 92.0 3.1 -10.9 18.1 365 598 A W T 3 S+ 0 0 6 -2,-1.3 -1,-0.2 1,-0.3 6,-0.1 0.696 71.7 67.5 -74.6 -18.2 5.0 -12.5 20.9 366 599 A G T 3 S+ 0 0 20 -3,-0.1 2,-0.4 -132,-0.1 -1,-0.3 0.016 87.7 78.4 -90.8 27.1 2.0 -12.6 23.2 367 600 A Q X> - 0 0 89 -3,-1.0 4,-1.8 1,-0.1 3,-0.7 -0.966 68.8-154.8-134.4 118.5 0.3 -15.2 20.9 368 601 A Q H 3> S+ 0 0 50 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.918 89.7 51.7 -65.8 -48.6 1.5 -18.8 21.3 369 602 A E H 3> S+ 0 0 151 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.691 110.8 52.1 -66.1 -16.3 0.6 -20.2 17.9 370 603 A I H <> S+ 0 0 25 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.879 106.3 51.0 -83.1 -42.3 2.5 -17.3 16.3 371 604 A V H X S+ 0 0 18 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.935 110.1 52.7 -55.9 -44.7 5.6 -17.9 18.4 372 605 A A H X S+ 0 0 46 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.874 108.2 48.8 -58.0 -41.1 5.3 -21.5 17.2 373 606 A K H X S+ 0 0 108 -4,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.881 108.2 55.0 -66.6 -37.7 5.2 -20.3 13.6 374 607 A T H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.857 108.2 49.1 -61.2 -39.1 8.2 -18.1 14.2 375 608 A Y H < S+ 0 0 77 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.912 108.1 51.6 -68.0 -42.1 10.2 -21.1 15.4 376 609 A Q H >< S+ 0 0 142 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.870 109.5 53.8 -63.2 -34.3 9.2 -23.2 12.4 377 610 A L H >< S+ 0 0 0 -4,-1.8 3,-2.4 1,-0.2 -2,-0.2 0.963 98.7 60.6 -57.2 -57.9 10.5 -20.3 10.4 378 611 A L T 3< S+ 0 0 6 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.439 91.8 70.1 -56.5 -0.9 13.9 -20.3 12.2 379 612 A A T < S+ 0 0 79 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.1 0.395 85.1 67.4 -97.4 0.8 14.5 -23.8 10.9 380 613 A R X + 0 0 141 -3,-2.4 3,-0.7 1,-0.1 4,-0.2 -0.283 63.8 137.9-107.7 42.3 14.9 -22.5 7.3 381 614 A R T 3> + 0 0 69 -3,-0.3 4,-3.5 1,-0.2 5,-0.3 0.250 23.0 114.4 -84.2 13.7 18.0 -20.8 8.3 382 615 A E H 3> S+ 0 0 140 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.871 81.2 44.7 -47.4 -46.2 20.0 -21.7 5.2 383 616 A V H <> S+ 0 0 57 -3,-0.7 4,-1.5 2,-0.2 3,-0.3 0.944 116.1 44.8 -68.7 -49.5 20.2 -18.1 4.1 384 617 A W H 4 S+ 0 0 2 -4,-0.2 3,-0.4 1,-0.2 -2,-0.2 0.916 113.6 51.6 -56.9 -46.9 21.1 -16.7 7.5 385 618 A D H < S+ 0 0 68 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.779 115.8 41.5 -63.4 -28.0 23.6 -19.5 8.0 386 619 A Q H < S+ 0 0 158 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.564 90.8 95.1-104.3 -9.3 25.3 -18.8 4.7 387 620 A S S < S- 0 0 35 -4,-1.5 3,-0.1 -3,-0.4 2,-0.0 -0.436 86.1 -93.1 -75.4 157.3 25.4 -15.0 4.5 388 621 A A - 0 0 92 1,-0.1 2,-0.6 -2,-0.1 -1,-0.1 -0.344 50.1 -86.9 -73.3 156.5 28.6 -13.3 5.7 389 622 A L - 0 0 52 25,-0.1 2,-0.7 -3,-0.1 -1,-0.1 -0.515 41.9-173.4 -71.9 109.3 28.9 -12.1 9.3 390 623 A D > - 0 0 57 -2,-0.6 4,-2.4 1,-0.2 5,-0.1 -0.920 7.6-164.0-103.6 112.5 27.5 -8.6 9.7 391 624 A V H > S+ 0 0 19 -2,-0.7 4,-3.5 1,-0.2 5,-0.2 0.937 88.2 53.5 -68.6 -42.8 28.3 -7.5 13.2 392 625 A G H > S+ 0 0 0 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.793 110.2 48.8 -58.0 -33.4 25.8 -4.7 13.2 393 626 A L H > S+ 0 0 8 2,-0.2 4,-1.1 -3,-0.1 -1,-0.2 0.937 113.0 47.6 -66.1 -49.5 23.1 -7.1 12.2 394 627 A T H >X S+ 0 0 1 -4,-2.4 4,-0.6 1,-0.2 3,-0.5 0.905 109.4 52.4 -62.7 -43.1 24.2 -9.5 14.9 395 628 A M H >< S+ 0 0 0 -4,-3.5 3,-1.6 1,-0.2 -1,-0.2 0.885 102.1 61.0 -58.3 -39.5 24.3 -6.8 17.6 396 629 A Q H >< S+ 0 0 13 -4,-1.2 3,-1.1 1,-0.3 5,-0.3 0.848 102.3 51.1 -60.2 -34.6 20.8 -5.7 16.7 397 630 A L H << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.600 107.7 54.8 -79.7 -10.4 19.4 -9.1 17.7 398 631 A L T << S+ 0 0 0 -3,-1.6 -1,-0.2 -4,-0.6 38,-0.2 0.280 92.3 95.9-102.1 6.3 21.2 -8.9 21.0 399 632 A D S X S- 0 0 5 -3,-1.1 3,-1.4 -4,-0.2 -3,-0.0 -0.065 95.9 -78.9 -92.8-166.7 19.7 -5.6 22.2 400 633 A C T 3 S+ 0 0 10 1,-0.3 -3,-0.1 3,-0.0 -1,-0.1 0.652 118.7 69.7 -70.4 -13.5 16.8 -4.7 24.4 401 634 A N T 3 S+ 0 0 80 -5,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.474 92.9 59.6 -81.1 -5.1 14.3 -5.3 21.6 402 635 A F < + 0 0 11 -3,-1.4 -1,-0.1 1,-0.1 -201,-0.1 -0.967 42.6 158.5-134.9 117.2 14.6 -9.1 21.5 403 636 A S + 0 0 18 -2,-0.5 2,-0.4 34,-0.1 -1,-0.1 0.290 42.7 115.3-118.4 5.1 13.9 -11.3 24.5 404 637 A D > - 0 0 2 1,-0.1 4,-2.3 -204,-0.1 5,-0.2 -0.666 60.2-144.6 -82.9 133.1 13.4 -14.5 22.6 405 638 A E H > S+ 0 0 94 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.877 97.7 44.1 -60.9 -44.8 16.0 -17.2 23.2 406 639 A N H > S+ 0 0 57 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.881 111.1 52.5 -76.2 -39.1 16.0 -18.6 19.7 407 640 A V H >> S+ 0 0 0 1,-0.2 4,-0.9 2,-0.2 3,-0.9 0.989 113.8 45.7 -52.1 -56.0 16.2 -15.2 18.0 408 641 A R H 3X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.3 3,-0.4 0.789 106.5 59.1 -61.5 -33.0 19.1 -14.3 20.2 409 642 A A H 3X S+ 0 0 40 -4,-1.8 4,-1.8 1,-0.2 -1,-0.3 0.826 98.1 58.1 -68.4 -33.6 20.8 -17.7 19.6 410 643 A I H < S+ 0 0 65 -4,-1.8 3,-1.1 1,-0.2 4,-0.4 0.952 103.1 49.0 -64.9 -49.1 25.7 -18.3 16.2 414 647 A K H >< S+ 0 0 18 -4,-1.4 3,-1.1 1,-0.3 -2,-0.2 0.850 105.0 59.4 -63.6 -33.9 27.0 -15.7 13.8 415 648 A L H >< S+ 0 0 1 -4,-1.7 3,-3.1 1,-0.2 -1,-0.3 0.788 85.9 78.6 -62.9 -29.3 29.5 -14.5 16.4 416 649 A E T << S+ 0 0 69 -3,-1.1 -1,-0.2 -4,-0.9 -2,-0.2 0.790 87.6 57.6 -55.1 -30.6 31.2 -17.9 16.6 417 650 A S T < S+ 0 0 84 -3,-1.1 -1,-0.3 -4,-0.4 2,-0.2 0.473 81.4 114.4 -81.6 -2.4 33.0 -17.3 13.4 418 651 A L < - 0 0 12 -3,-3.1 2,-0.3 -4,-0.1 -3,-0.0 -0.493 64.9-133.5 -66.4 133.4 34.6 -14.1 14.9 419 652 A E >> - 0 0 51 -2,-0.2 4,-2.0 1,-0.1 3,-1.9 -0.688 27.4-104.3 -88.9 149.4 38.4 -14.4 15.3 420 653 A D H 3> S+ 0 0 44 1,-0.3 4,-3.1 -2,-0.3 5,-0.2 0.757 119.7 61.4 -41.5 -41.6 39.9 -13.3 18.6 421 654 A D H 3> S+ 0 0 5 -362,-0.4 4,-0.5 1,-0.2 -1,-0.3 0.913 112.3 36.7 -53.7 -48.4 41.2 -10.1 17.1 422 655 A D H X> S+ 0 0 23 -3,-1.9 4,-1.2 2,-0.2 3,-0.6 0.857 111.6 58.8 -73.3 -38.8 37.6 -9.0 16.2 423 656 A V H >X S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.3 4,-1.2 0.968 104.3 53.2 -52.0 -51.0 36.1 -10.5 19.4 424 657 A L H 3< S+ 0 0 26 -4,-3.1 4,-0.3 1,-0.3 -1,-0.3 0.726 104.1 57.7 -55.3 -28.9 38.5 -8.1 21.3 425 658 A H H << S+ 0 0 33 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.784 119.3 27.6 -70.1 -31.3 37.1 -5.3 19.2 426 659 A Y H S+ 0 0 3 -4,-0.3 4,-2.5 1,-0.3 -1,-0.3 0.897 115.2 41.5 -50.0 -50.2 33.1 -4.5 25.9 429 662 A Q H > S+ 0 0 2 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.794 111.2 55.0 -76.1 -22.6 29.8 -4.1 24.1 430 663 A L H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 -2,-0.2 0.882 110.5 48.1 -72.2 -34.5 29.2 -7.8 24.0 431 664 A V H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.4 0.922 110.6 48.8 -69.7 -45.3 29.7 -7.8 27.8 432 665 A Q H >< S+ 0 0 4 -4,-2.5 3,-1.9 1,-0.2 -1,-0.2 0.882 102.7 66.7 -60.9 -29.2 27.3 -4.8 28.3 433 666 A A G >< S+ 0 0 1 -4,-1.5 3,-1.6 1,-0.3 -1,-0.2 0.676 81.1 74.9 -69.8 -16.5 24.9 -6.8 26.1 434 667 A V G X S+ 0 0 0 -3,-1.3 3,-2.1 -4,-0.4 -1,-0.3 0.830 81.6 72.1 -61.3 -28.2 24.5 -9.4 28.7 435 668 A K G < S+ 0 0 6 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.715 94.1 53.5 -57.8 -21.4 22.4 -6.8 30.5 436 669 A F G < S+ 0 0 8 -3,-1.6 -1,-0.3 -38,-0.2 -2,-0.2 0.402 83.4 109.0 -98.2 -1.2 19.7 -7.4 27.9 437 670 A E < - 0 0 20 -3,-2.1 -34,-0.1 -4,-0.2 5,-0.0 -0.613 62.2-148.6 -75.3 130.7 19.6 -11.1 28.4 438 671 A P S S+ 0 0 23 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.865 81.7 42.3 -60.7 -35.6 16.4 -12.4 30.2 439 672 A Y S S- 0 0 19 2,-0.1 -181,-0.0 1,-0.1 -3,-0.0 -0.922 78.5-128.0-123.8 144.0 18.2 -15.3 31.9 440 673 A H S S+ 0 0 17 -2,-0.4 2,-0.6 1,-0.1 -1,-0.1 0.833 101.9 59.9 -56.7 -37.4 21.5 -15.5 33.7 441 674 A D S S+ 0 0 36 4,-0.1 2,-0.3 3,-0.0 -2,-0.1 -0.854 75.7 147.2 -92.2 119.6 22.5 -18.5 31.5 442 675 A S > - 0 0 11 -2,-0.6 4,-2.4 1,-0.1 5,-0.3 -0.986 63.4-105.4-148.4 154.2 22.4 -17.6 27.9 443 676 A A H > S+ 0 0 45 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.853 122.3 49.9 -37.3 -42.9 24.2 -18.4 24.6 444 677 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.923 107.5 49.6 -76.5 -43.9 25.9 -15.0 24.9 445 678 A A H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.882 116.5 45.2 -57.8 -36.3 27.1 -15.4 28.5 446 679 A R H X S+ 0 0 80 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.825 107.7 56.2 -79.5 -30.5 28.5 -18.8 27.4 447 680 A F H X S+ 0 0 2 -4,-2.1 4,-2.3 -5,-0.3 5,-0.3 0.942 106.5 51.9 -62.7 -44.8 30.0 -17.4 24.3 448 681 A L H X S+ 0 0 3 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.935 109.2 49.2 -59.0 -47.5 31.9 -15.0 26.4 449 682 A L H X S+ 0 0 0 -4,-1.7 4,-3.3 2,-0.2 5,-0.3 0.969 111.3 48.9 -47.8 -69.9 33.3 -17.8 28.7 450 683 A K H X S+ 0 0 60 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.891 116.0 41.7 -34.2 -65.3 34.4 -19.9 25.8 451 684 A R H X S+ 0 0 5 -4,-2.3 4,-0.8 1,-0.2 3,-0.3 0.888 116.1 50.2 -58.8 -41.3 36.2 -17.1 24.0 452 685 A G H < S+ 0 0 0 -4,-2.9 3,-0.5 -5,-0.3 7,-0.5 0.875 113.0 45.2 -65.7 -39.0 37.7 -15.8 27.2 453 686 A L H < S+ 0 0 0 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.692 107.9 59.2 -78.6 -17.7 38.9 -19.1 28.3 454 687 A R H < S+ 0 0 96 -4,-1.5 2,-0.3 -5,-0.3 -1,-0.2 0.706 114.0 31.8 -83.1 -17.7 40.4 -19.8 24.8 455 688 A N X - 0 0 11 -4,-0.8 4,-2.7 -3,-0.5 -1,-0.2 -0.991 63.1-146.7-149.5 126.8 42.7 -16.7 24.9 456 689 A K H > S+ 0 0 29 -403,-0.4 4,-2.8 -2,-0.3 5,-0.2 0.823 99.7 56.0 -62.7 -36.7 44.5 -14.9 27.7 457 690 A R H > S+ 0 0 36 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.914 114.8 38.3 -66.3 -41.0 44.1 -11.4 26.1 458 691 A I H > S+ 0 0 0 -7,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.893 114.7 56.7 -72.3 -38.1 40.4 -11.7 25.9 459 692 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 -7,-0.5 -2,-0.2 0.940 106.6 49.1 -55.7 -49.9 40.4 -13.5 29.3 460 693 A H H X S+ 0 0 7 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.901 115.0 42.9 -57.1 -47.6 42.1 -10.6 30.9 461 694 A F H X S+ 0 0 21 -4,-1.5 4,-2.0 2,-0.2 5,-0.3 0.842 108.3 60.0 -74.3 -28.5 39.8 -8.0 29.5 462 695 A L H X S+ 0 0 0 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.984 105.6 50.4 -56.7 -53.6 36.8 -10.2 30.3 463 696 A F H X S+ 0 0 0 -4,-2.6 4,-3.5 1,-0.2 5,-0.3 0.932 113.6 41.2 -45.2 -66.3 37.8 -10.0 33.9 464 697 A W H X S+ 0 0 1 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.774 114.9 52.3 -61.0 -29.4 38.1 -6.2 34.2 465 698 A F H X S+ 0 0 15 -4,-2.0 4,-0.9 2,-0.2 -1,-0.2 0.967 115.7 39.2 -72.6 -50.7 35.0 -5.6 32.1 466 699 A L H >X S+ 0 0 0 -4,-3.0 4,-2.0 -5,-0.3 3,-1.0 0.934 116.8 51.2 -60.2 -47.5 32.9 -7.9 34.3 467 700 A R H 3X S+ 0 0 16 -4,-3.5 4,-2.2 -5,-0.3 -1,-0.2 0.849 100.1 65.0 -62.2 -36.7 34.6 -6.7 37.5 468 701 A S H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.837 111.5 34.4 -49.6 -40.3 34.0 -3.0 36.5 469 702 A E H XX S+ 0 0 1 -3,-1.0 4,-2.4 -4,-0.9 3,-1.0 0.739 111.5 60.8 -90.1 -29.9 30.2 -3.6 36.7 470 703 A I H 3< S+ 0 0 1 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.921 107.9 46.2 -63.1 -40.2 30.2 -6.0 39.6 471 704 A A T 3< S+ 0 0 44 -4,-2.2 170,-0.5 1,-0.2 -1,-0.2 0.499 124.4 31.2 -76.2 -4.2 31.9 -3.3 41.8 472 705 A Q T <4 S+ 0 0 30 -3,-1.0 2,-0.5 1,-0.2 -2,-0.2 0.599 104.6 58.1-139.2 -27.2 29.5 -0.6 40.7 473 706 A S X - 0 0 9 -4,-2.4 4,-1.6 1,-0.1 3,-0.4 -0.973 43.6-167.4-123.6 128.5 25.9 -1.7 39.9 474 707 A R H > S+ 0 0 127 -2,-0.5 4,-0.5 1,-0.2 -1,-0.1 0.831 86.8 69.1 -73.3 -28.3 23.5 -3.5 42.1 475 708 A H H 4 S+ 0 0 28 1,-0.2 -188,-0.4 2,-0.1 -1,-0.2 0.767 120.7 9.9 -64.6 -28.1 21.2 -4.2 39.1 476 709 A Y H > S+ 0 0 4 -3,-0.4 4,-2.1 -7,-0.2 5,-0.4 0.492 92.2 104.5-134.3 -9.3 23.6 -6.7 37.5 477 710 A Q H X S+ 0 0 8 -4,-1.6 4,-2.4 -8,-0.2 5,-0.2 0.860 84.0 53.7 -43.4 -40.0 26.5 -7.4 39.9 478 711 A Q H X S+ 0 0 14 -4,-0.5 4,-1.1 2,-0.2 -1,-0.2 0.953 111.0 42.5 -65.5 -51.1 24.9 -10.9 40.7 479 712 A R H >> S+ 0 0 10 -3,-0.2 4,-1.5 2,-0.2 3,-0.9 0.945 117.4 45.4 -54.6 -56.0 24.7 -12.1 37.1 480 713 A F H 3X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.3 3,-0.3 0.897 108.4 58.5 -61.3 -40.4 28.1 -10.8 36.0 481 714 A A H 3X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.4 -1,-0.3 0.761 104.0 51.7 -61.4 -25.4 29.6 -12.2 39.2 482 715 A V H X S+ 0 0 0 -4,-2.3 3,-3.1 1,-0.2 4,-1.8 0.968 106.1 52.6 -60.9 -55.8 35.9 -17.7 34.2 488 721 A L H 3X S+ 0 0 2 -4,-2.4 4,-0.5 1,-0.3 -1,-0.2 0.783 102.0 62.1 -56.1 -27.3 38.3 -17.6 37.1 489 722 A R H 3< S+ 0 0 51 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.428 116.0 31.1 -77.5 1.5 37.7 -21.3 37.6 490 723 A G H <4 S+ 0 0 0 -3,-3.1 -2,-0.2 2,-0.1 -1,-0.2 0.609 94.0 83.1-127.1 -26.7 39.1 -21.9 34.1 491 724 A C H < S- 0 0 0 -4,-1.8 4,-0.3 1,-0.1 -3,-0.1 0.738 93.9-120.3 -63.3 -25.1 41.7 -19.3 33.4 492 725 A G X - 0 0 2 -4,-0.5 4,-1.9 1,-0.1 3,-0.3 -0.008 24.9 -70.9 101.5 158.1 44.4 -21.3 35.2 493 726 A T H > S+ 0 0 62 -332,-2.3 4,-2.1 1,-0.2 -333,-0.2 0.823 123.7 52.5 -50.6 -49.3 46.8 -20.9 38.2 494 727 A A H > S+ 0 0 27 -335,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.943 110.4 47.7 -54.3 -50.8 49.2 -18.3 36.6 495 728 A M H > S+ 0 0 11 -4,-0.3 4,-2.7 -3,-0.3 5,-0.2 0.887 108.1 53.6 -65.6 -41.6 46.4 -16.0 35.6 496 729 A L H X S+ 0 0 16 -4,-1.9 4,-2.9 1,-0.2 -1,-0.2 0.910 106.6 55.1 -53.5 -45.6 44.7 -16.1 39.0 497 730 A H H X S+ 0 0 105 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.896 109.7 46.3 -53.4 -42.9 48.1 -15.1 40.5 498 731 A D H X S+ 0 0 18 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.959 111.9 47.8 -72.5 -49.3 48.2 -12.1 38.2 499 732 A F H X S+ 0 0 2 -4,-2.7 4,-3.8 1,-0.2 5,-0.3 0.930 108.7 58.4 -53.9 -45.6 44.7 -10.9 38.9 500 733 A T H X S+ 0 0 46 -4,-2.9 4,-2.1 -5,-0.2 -1,-0.2 0.936 113.1 36.3 -49.5 -54.0 45.4 -11.3 42.6 501 734 A Q H X S+ 0 0 30 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.775 114.7 56.6 -76.7 -21.6 48.3 -8.9 42.5 502 735 A Q H X S+ 0 0 2 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.960 109.6 46.8 -66.2 -46.8 46.6 -6.6 40.0 503 736 A V H X S+ 0 0 7 -4,-3.8 4,-2.7 1,-0.2 5,-0.3 0.937 110.6 51.6 -61.2 -46.7 43.7 -6.3 42.4 504 737 A Q H X S+ 0 0 92 -4,-2.1 4,-1.8 -5,-0.3 -1,-0.2 0.856 108.7 51.1 -59.5 -37.6 45.9 -5.6 45.4 505 738 A V H X S+ 0 0 1 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.929 113.4 43.3 -66.8 -45.4 47.8 -2.9 43.7 506 739 A I H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.899 111.3 51.7 -75.9 -36.6 44.6 -1.0 42.6 507 740 A E H X S+ 0 0 95 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.940 115.0 47.1 -57.3 -44.0 42.7 -1.3 45.9 508 741 A M H X S+ 0 0 28 -4,-1.8 4,-1.5 -5,-0.3 -2,-0.2 0.940 113.3 45.5 -57.2 -52.6 45.9 0.1 47.5 509 742 A L H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.798 109.8 54.1 -72.8 -28.8 46.4 2.9 45.0 510 743 A Q H X S+ 0 0 29 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.917 103.1 57.9 -65.9 -44.7 42.7 3.9 45.1 511 744 A K H X S+ 0 0 137 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.934 110.2 44.3 -43.3 -54.2 43.0 4.2 48.9 512 745 A V H X S+ 0 0 3 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.863 110.0 55.5 -63.7 -40.6 45.7 6.7 48.4 513 746 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.940 111.2 43.7 -58.9 -51.3 43.8 8.5 45.7 514 747 A L H X S+ 0 0 70 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.905 112.5 50.9 -61.5 -46.7 40.8 9.1 48.0 515 748 A D H X S+ 0 0 77 -4,-2.5 4,-1.2 -5,-0.2 3,-0.4 0.938 109.9 50.0 -60.0 -47.9 42.8 10.1 51.0 516 749 A I H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.878 107.8 54.8 -55.7 -39.4 44.8 12.7 49.0 517 750 A K H >< S+ 0 0 49 -4,-1.7 3,-0.7 1,-0.2 -1,-0.2 0.852 105.8 52.6 -66.0 -34.6 41.5 14.1 47.6 518 751 A S H 3< S+ 0 0 106 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.778 99.0 65.2 -66.3 -31.2 40.2 14.6 51.1 519 752 A L T 3< S+ 0 0 90 -4,-1.2 2,-0.4 -3,-0.4 -1,-0.2 0.563 94.1 65.4 -78.4 -10.0 43.2 16.6 52.2 520 753 A S S < S- 0 0 20 -3,-0.7 4,-0.1 -4,-0.4 56,-0.0 -0.913 73.4-136.3-117.0 143.6 42.7 19.6 49.9 521 754 A A - 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