==== 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 3R7Q . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.MURRAY,C.WIESMANN . 837 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37607.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 577 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 13.0 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 . 3 0.4 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 . 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 . 58 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 89 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 289 34.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 4 2 4 1 2 3 1 1 4 0 2 2 0 1 3 0 0 0 0 0 0 1 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 5 3 2 5 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 0 128 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 108.7 31.8 19.1 1.7 2 144 A S >> - 0 0 72 1,-0.2 4,-1.0 3,-0.1 3,-0.5 -0.053 360.0-118.3 -48.8 149.9 28.2 19.3 0.4 3 145 A E H 3> S+ 0 0 148 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.741 116.0 66.9 -62.8 -21.5 27.3 22.3 -1.7 4 146 A E H 3> S+ 0 0 113 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.922 95.2 52.1 -61.7 -49.4 24.9 22.9 1.2 5 147 A S H <> S+ 0 0 40 -3,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.811 107.2 54.1 -57.6 -36.1 27.8 23.6 3.6 6 148 A Q H X S+ 0 0 107 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.892 107.2 49.1 -66.6 -43.4 29.3 26.2 1.1 7 149 A A H X S+ 0 0 24 -4,-1.6 4,-1.1 1,-0.2 -2,-0.2 0.843 112.1 51.8 -62.0 -34.8 25.9 28.2 0.9 8 150 A F H X S+ 0 0 18 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.899 106.9 49.9 -69.6 -45.1 25.9 28.1 4.7 9 151 A Q H X S+ 0 0 23 -4,-2.1 4,-3.0 1,-0.2 -2,-0.2 0.853 108.6 54.6 -61.0 -34.6 29.5 29.5 5.0 10 152 A R H X S+ 0 0 187 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.818 108.3 49.5 -66.4 -34.9 28.4 32.2 2.6 11 153 A Q H X S+ 0 0 76 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.920 111.4 47.4 -71.3 -46.7 25.6 33.0 5.0 12 154 A L H >X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 3,-0.5 0.954 107.6 57.5 -59.7 -47.9 27.9 33.1 8.0 13 155 A T H 3X>S+ 0 0 34 -4,-3.0 4,-2.8 1,-0.2 5,-0.7 0.891 107.8 47.2 -49.9 -43.4 30.2 35.3 6.0 14 156 A A H 3<5S+ 0 0 54 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.821 113.7 47.0 -71.9 -26.1 27.4 37.9 5.5 15 157 A L H <<5S+ 0 0 4 -4,-1.7 -2,-0.2 -3,-0.5 -1,-0.2 0.899 117.6 43.8 -77.9 -40.7 26.4 37.7 9.2 16 158 A I H <5S- 0 0 0 -4,-3.2 -2,-0.2 2,-0.2 -3,-0.2 0.842 96.1-136.5 -70.5 -46.6 30.1 38.1 10.3 17 159 A G T <5S+ 0 0 48 -4,-2.8 2,-0.3 -5,-0.3 -3,-0.2 0.577 79.6 72.4 95.8 5.7 31.2 40.9 7.8 18 160 A Y S - 0 0 54 -2,-0.3 3,-1.9 1,-0.1 -9,-0.1 -0.839 19.4-170.2 -95.4 96.6 35.3 35.8 5.1 20 162 A V T 3 S+ 0 0 13 -2,-0.9 -1,-0.1 1,-0.3 15,-0.1 0.587 83.9 62.8 -65.2 -3.3 37.1 33.5 7.5 21 163 A T T 3 S+ 0 0 65 -12,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.303 78.8 112.4 -99.9 8.0 38.1 31.1 4.7 22 164 A D < + 0 0 64 -3,-1.9 3,-0.1 1,-0.1 0, 0.0 -0.691 40.9 178.3 -82.3 129.2 40.0 33.9 3.1 23 165 A V > + 0 0 108 -2,-0.4 3,-0.7 1,-0.1 -1,-0.1 0.079 47.8 108.8-121.0 25.7 43.7 33.2 3.2 24 166 A S T 3 S+ 0 0 79 1,-0.2 2,-0.2 3,-0.0 -1,-0.1 0.857 84.7 39.2 -67.8 -35.2 45.0 36.3 1.4 25 167 A N T 3 S+ 0 0 8 -3,-0.1 264,-0.4 264,-0.0 2,-0.3 -0.427 93.8 97.2-118.0 51.7 46.6 37.9 4.6 26 168 A V < - 0 0 47 -3,-0.7 3,-0.1 -2,-0.2 -3,-0.0 -0.927 43.3-170.6-131.5 160.9 48.1 34.9 6.5 27 169 A H S S+ 0 0 60 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.189 81.1 9.7-133.4 9.5 51.7 33.5 6.8 28 170 A D S S- 0 0 44 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 -0.928 85.8 -94.5-166.8-174.8 50.8 30.4 8.7 29 171 A D S > S+ 0 0 56 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.076 72.7 121.9-107.5 29.1 47.7 28.5 9.7 30 172 A E H > S+ 0 0 4 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.935 79.0 51.0 -55.9 -42.9 47.0 29.8 13.2 31 173 A L H > S+ 0 0 20 -3,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.926 113.0 42.8 -61.6 -48.0 43.5 31.0 12.1 32 174 A E H > S+ 0 0 71 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.903 113.3 54.0 -63.0 -39.9 42.5 27.6 10.5 33 175 A F H X S+ 0 0 59 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.910 110.7 47.0 -57.2 -45.0 44.0 25.7 13.5 34 176 A T H X S+ 0 0 1 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.865 107.0 55.5 -66.3 -47.4 41.9 27.9 15.8 35 177 A R H < S+ 0 0 41 -4,-2.5 4,-0.5 1,-0.2 -2,-0.2 0.938 114.9 40.9 -52.6 -44.4 38.7 27.4 13.7 36 178 A R H >X S+ 0 0 117 -4,-2.4 3,-0.9 1,-0.2 4,-0.6 0.891 112.6 55.7 -71.1 -37.0 39.2 23.6 14.1 37 179 A G H >< S+ 0 0 21 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.893 104.2 53.1 -63.7 -33.5 40.2 24.0 17.8 38 180 A L T 3X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.610 88.3 81.4 -79.9 -8.8 37.0 25.8 18.7 39 181 A V H <> S+ 0 0 40 -3,-0.9 4,-2.9 -4,-0.5 -1,-0.2 0.940 93.5 47.0 -57.4 -49.6 34.8 23.1 17.2 40 182 A T H S+ 0 0 10 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.909 115.6 47.3 -56.6 -45.2 34.5 23.7 22.9 42 184 A R H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.967 113.1 46.0 -61.6 -54.4 31.5 24.8 20.9 43 185 A M H X S+ 0 0 85 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.847 110.2 54.6 -57.7 -39.1 30.1 21.3 20.5 44 186 A A H X S+ 0 0 54 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.894 111.8 43.6 -62.4 -39.6 30.6 20.4 24.2 45 187 A E H X S+ 0 0 18 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.878 111.3 53.5 -75.7 -39.9 28.6 23.4 25.3 46 188 A V H < S+ 0 0 36 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.951 112.0 45.9 -57.2 -47.7 25.8 22.9 22.8 47 189 A A H < S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.764 111.6 52.6 -69.9 -21.9 25.4 19.4 24.0 48 190 A S H < S+ 0 0 98 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.804 87.9 96.6 -83.9 -30.7 25.5 20.4 27.7 49 191 A R S < S- 0 0 31 -4,-1.8 408,-0.0 -3,-0.2 407,-0.0 -0.287 78.8-113.7 -69.4 145.9 22.8 23.1 27.7 50 192 A D > - 0 0 75 1,-0.1 4,-2.4 406,-0.1 5,-0.3 -0.674 20.2-145.2 -77.0 118.0 19.1 22.5 28.6 51 193 A P H > S+ 0 0 75 0, 0.0 4,-1.1 0, 0.0 -1,-0.1 0.805 96.3 47.6 -53.3 -36.6 17.0 23.0 25.5 52 194 A K H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.940 113.6 42.7 -72.8 -55.4 14.1 24.5 27.5 53 195 A L H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.842 114.8 52.6 -62.4 -32.1 16.1 27.0 29.6 54 196 A Y H < S+ 0 0 7 -4,-2.4 404,-0.3 1,-0.2 -1,-0.2 0.843 107.7 52.4 -69.9 -35.1 18.1 28.0 26.6 55 197 A A H < S+ 0 0 8 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.860 120.2 32.1 -68.5 -40.9 14.9 28.6 24.6 56 198 A M H < S- 0 0 17 -4,-1.8 70,-0.7 101,-0.1 -2,-0.2 0.525 85.7-160.2 -97.4 -17.5 13.4 30.9 27.3 57 199 A H < - 0 0 20 -4,-1.9 -3,-0.1 -5,-0.2 402,-0.1 0.727 12.2-152.3 50.7 42.1 16.7 32.4 28.5 58 200 A P - 0 0 29 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.186 8.1-134.8 -48.6 141.2 15.3 33.6 31.9 59 201 A W + 0 0 71 67,-0.4 78,-2.0 363,-0.0 79,-0.4 -0.880 41.6 157.2-105.8 109.1 17.3 36.7 33.1 60 202 A V B -A 136 0A 35 -2,-0.7 363,-0.4 76,-0.2 2,-0.3 -0.738 28.6-154.4-130.7 169.2 18.2 36.2 36.7 61 203 A T - 0 0 0 74,-1.6 -2,-0.0 -2,-0.2 361,-0.0 -0.986 17.5-153.3-144.6 153.1 20.5 37.2 39.6 62 204 A S + 0 0 98 -2,-0.3 -1,-0.1 2,-0.1 73,-0.0 0.475 65.5 112.7 -98.8 -12.4 21.7 35.8 42.9 63 205 A K S S- 0 0 54 72,-0.1 -2,-0.1 1,-0.1 2,-0.1 -0.286 76.0-104.0 -62.9 150.7 22.4 39.2 44.4 64 206 A P - 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.397 40.0 -94.7 -73.0 152.4 20.2 40.3 47.2 65 207 A L - 0 0 10 1,-0.1 5,-0.1 -2,-0.1 70,-0.1 -0.595 50.4-112.9 -67.7 125.4 17.4 42.8 46.6 66 208 A P >> - 0 0 6 0, 0.0 3,-1.4 0, 0.0 4,-1.0 -0.140 18.3-114.8 -60.0 155.1 18.9 46.2 47.5 67 209 A E H >> S+ 0 0 148 1,-0.2 4,-1.2 2,-0.2 3,-1.1 0.927 114.3 58.8 -54.1 -48.6 17.5 48.2 50.5 68 210 A Y H 34 S+ 0 0 53 1,-0.3 -1,-0.2 560,-0.2 4,-0.1 0.472 106.2 49.3 -65.6 -0.4 16.1 50.9 48.2 69 211 A L H X4 S+ 0 0 8 -3,-1.4 3,-0.6 2,-0.1 -1,-0.3 0.623 99.1 62.2-110.1 -22.8 13.9 48.4 46.5 70 212 A W H X< S+ 0 0 95 -3,-1.1 3,-2.5 -4,-1.0 -2,-0.2 0.793 89.7 74.2 -70.0 -27.4 12.5 46.7 49.6 71 213 A K T 3< S+ 0 0 134 -4,-1.2 -1,-0.2 1,-0.3 3,-0.2 0.859 92.9 51.8 -52.1 -37.5 11.0 50.1 50.3 72 214 A K T < S+ 0 0 69 -3,-0.6 2,-0.3 1,-0.2 -1,-0.3 0.445 110.7 54.3 -79.9 -2.2 8.4 49.6 47.5 73 215 A I < + 0 0 8 -3,-2.5 -1,-0.2 1,-0.1 5,-0.1 -0.754 55.7 133.1-132.8 86.6 7.6 46.2 49.1 74 216 A A S S+ 0 0 96 -2,-0.3 -1,-0.1 -3,-0.2 -3,-0.1 0.455 70.3 62.9-111.9 -3.3 6.6 46.5 52.8 75 217 A N S S- 0 0 86 2,-0.3 -1,-0.1 -3,-0.1 3,-0.1 0.310 104.1-124.7 -99.4 5.3 3.5 44.3 52.6 76 218 A N S S+ 0 0 88 1,-0.2 2,-0.4 -6,-0.2 -3,-0.1 0.714 78.6 108.9 56.5 23.8 5.6 41.3 51.6 77 219 A C - 0 0 38 17,-0.2 2,-0.4 18,-0.1 -2,-0.3 -0.969 50.0-166.4-132.3 143.6 3.3 41.0 48.6 78 220 A I E -B 93 0B 8 15,-2.2 15,-2.5 -2,-0.4 2,-0.6 -0.991 17.7-135.7-129.7 136.5 3.8 41.7 44.9 79 221 A F E -B 92 0B 107 -2,-0.4 70,-0.8 13,-0.3 2,-0.5 -0.845 18.0-173.4 -99.1 117.6 1.1 42.0 42.3 80 222 A I E -Bc 91 149B 7 11,-2.0 11,-1.9 -2,-0.6 2,-0.8 -0.946 15.3-146.2-109.4 128.0 1.5 40.3 39.0 81 223 A V E -Bc 90 150B 14 68,-3.0 70,-3.4 -2,-0.5 2,-0.7 -0.836 10.1-160.3 -97.2 107.4 -1.1 41.0 36.3 82 224 A I E -Bc 89 151B 8 7,-1.8 7,-1.0 -2,-0.8 70,-0.3 -0.797 9.7-177.7 -90.6 114.3 -1.7 37.9 34.1 83 225 A H > + 0 0 53 68,-3.2 4,-0.6 -2,-0.7 3,-0.5 0.411 13.8 160.0 -93.1 -1.0 -3.3 38.9 30.8 84 226 A R T 4 - 0 0 31 1,-0.2 70,-0.1 67,-0.2 -2,-0.1 -0.480 68.7 -20.5 -69.4 125.5 -4.0 35.7 28.9 85 227 A S T 4 S- 0 0 87 -2,-0.3 -1,-0.2 68,-0.1 3,-0.1 0.597 112.9 -41.8-125.3 139.2 -6.1 36.5 26.9 86 228 A T T 4 S+ 0 0 147 -3,-0.5 2,-0.3 1,-0.2 -2,-0.1 0.428 123.1 69.7 69.9 -7.6 -8.7 39.3 26.7 87 229 A T < + 0 0 93 -4,-0.6 2,-0.3 2,-0.0 -1,-0.2 -0.778 62.1 165.5-130.2 172.1 -9.1 38.5 30.4 88 230 A S - 0 0 64 -2,-0.3 2,-0.3 -3,-0.1 -5,-0.2 -0.892 18.2-157.8 175.8 157.0 -6.8 39.1 33.4 89 231 A Q E -B 82 0B 94 -7,-1.0 -7,-1.8 -2,-0.3 2,-0.4 -0.995 23.1-122.5-149.8 146.0 -6.5 39.2 37.2 90 232 A T E -B 81 0B 78 -2,-0.3 2,-0.4 -9,-0.2 -9,-0.2 -0.776 28.8-163.7 -92.8 131.2 -4.1 40.8 39.6 91 233 A I E -B 80 0B 19 -11,-1.9 -11,-2.0 -2,-0.4 2,-0.3 -0.964 14.8-136.3-120.9 126.2 -2.4 38.4 42.0 92 234 A K E -B 79 0B 148 -2,-0.4 2,-0.3 -13,-0.2 -13,-0.3 -0.652 32.5-177.1 -80.8 137.2 -0.5 39.2 45.3 93 235 A V E -B 78 0B 3 -15,-2.5 -15,-2.2 -2,-0.3 9,-0.0 -0.896 26.6-118.0-133.8 158.4 2.8 37.3 45.6 94 236 A S > - 0 0 29 -2,-0.3 3,-3.8 -17,-0.2 39,-0.3 -0.844 30.2-119.6 -99.3 131.4 5.7 36.8 48.1 95 237 A P T 3 S+ 0 0 0 0, 0.0 39,-1.5 0, 0.0 40,-0.3 0.628 115.5 50.9 -44.2 -13.1 9.2 37.8 47.0 96 238 A D T 3 S+ 0 0 97 36,-0.2 39,-0.0 37,-0.1 -3,-0.0 0.591 82.4 115.9-101.9 -17.5 10.2 34.2 47.6 97 239 A D < - 0 0 56 -3,-3.8 36,-2.5 35,-0.1 37,-0.2 -0.275 62.0-131.4 -57.6 141.9 7.4 32.6 45.5 98 240 A T >> - 0 0 35 34,-0.2 4,-2.5 35,-0.1 3,-0.9 -0.621 20.1-114.8 -91.1 149.4 8.6 30.7 42.4 99 241 A P H 3> S+ 0 0 7 0, 0.0 4,-0.8 0, 0.0 5,-0.1 0.884 119.3 49.2 -52.4 -43.5 6.9 31.3 39.0 100 242 A G H 34 S+ 0 0 41 29,-0.2 4,-0.2 2,-0.2 30,-0.1 0.728 110.4 53.7 -67.7 -21.8 5.5 27.7 39.0 101 243 A A H X> S+ 0 0 39 -3,-0.9 4,-2.4 2,-0.2 3,-1.4 0.903 105.7 48.5 -78.8 -46.2 4.3 28.3 42.5 102 244 A I H 3< S+ 0 0 8 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.720 108.6 58.3 -67.5 -14.6 2.4 31.4 41.7 103 245 A L T 3X S+ 0 0 15 -4,-0.8 4,-1.8 -5,-0.3 -1,-0.3 0.645 106.7 47.1 -84.6 -14.6 1.0 29.3 38.8 104 246 A Q H <> S+ 0 0 132 -3,-1.4 4,-1.3 2,-0.2 5,-0.5 0.817 108.4 52.2 -87.8 -41.9 -0.2 26.9 41.5 105 247 A S H < S+ 0 0 58 -4,-2.4 -1,-0.2 3,-0.1 -2,-0.2 0.199 119.8 41.9 -77.1 12.3 -1.8 29.7 43.5 106 248 A F H > S+ 0 0 28 -5,-0.2 4,-1.0 -3,-0.1 5,-0.2 0.595 108.7 47.9-118.4 -76.0 -3.4 30.5 40.2 107 249 A F H >X S+ 0 0 42 -4,-1.8 4,-1.5 1,-0.3 3,-0.6 0.850 125.0 34.4 -35.8 -54.4 -4.6 27.4 38.4 108 250 A T H 3< S+ 0 0 118 -4,-1.3 -1,-0.3 1,-0.2 -3,-0.1 0.863 110.0 64.3 -73.9 -37.1 -6.3 26.1 41.6 109 251 A K H 34 S+ 0 0 125 -5,-0.5 -1,-0.2 1,-0.1 -2,-0.2 0.571 125.4 13.7 -63.8 -6.6 -7.2 29.6 42.7 110 252 A M H << 0 0 87 -4,-1.0 -2,-0.2 -3,-0.6 -3,-0.2 0.554 360.0 360.0-129.7 -71.6 -9.4 29.8 39.6 111 253 A A < 0 0 128 -4,-1.5 -3,-0.1 -5,-0.2 -2,-0.0 0.089 360.0 360.0 48.2 360.0 -10.1 26.5 37.8 112 ! 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 0.0 113 267 A E 0 0 187 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 0.000 360.0 360.0 360.0 -10.2 -3.1 22.6 31.4 114 268 A Q + 0 0 131 1,-0.1 2,-0.4 -7,-0.0 -11,-0.0 0.208 360.0 102.0-112.8 7.9 0.2 23.2 33.4 115 269 A D + 0 0 103 2,-0.0 2,-0.3 40,-0.0 -1,-0.1 -0.168 64.5 104.1 -82.4 37.1 2.0 23.3 30.1 116 270 A F - 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0 0 54 -3,-2.2 3,-3.1 1,-0.2 4,-0.6 -0.887 65.8-161.9-128.5 95.7 47.7 37.4 49.0 355 586 A P G >4 S+ 0 0 33 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.889 92.6 61.5 -45.1 -36.3 45.5 37.2 45.9 356 587 A K G 34 S+ 0 0 114 1,-0.3 4,-0.4 2,-0.1 -3,-0.0 0.633 97.0 59.2 -66.8 -16.6 45.9 41.0 45.5 357 588 A A G <> S+ 0 0 0 -3,-3.1 4,-3.1 -6,-0.3 5,-0.3 0.592 79.1 93.7 -82.6 -18.9 49.7 40.5 45.0 358 589 A Y H S+ 0 0 6 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.948 116.8 45.7 -70.0 -44.1 49.6 41.0 39.4 360 591 A K H 4 S+ 0 0 16 -4,-0.4 -2,-0.2 1,-0.2 -3,-0.1 0.889 115.0 48.6 -60.5 -45.6 52.6 42.6 41.1 361 592 A L H >< S+ 0 0 1 -4,-3.1 3,-1.7 1,-0.2 4,-0.2 0.904 109.5 49.6 -63.2 -46.3 54.3 39.3 41.6 362 593 A F H >< S+ 0 0 3 -4,-2.2 3,-0.6 -5,-0.3 -1,-0.2 0.731 106.8 57.5 -70.3 -18.4 53.8 38.0 38.0 363 594 A S T 3< S+ 0 0 33 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.407 99.3 61.3 -85.7 0.6 55.2 41.3 36.9 364 595 A S T < S+ 0 0 9 -3,-1.7 2,-0.2 -5,-0.1 -1,-0.2 0.418 83.0 109.2-100.7 -5.1 58.3 40.4 39.0 365 596 A V S < S- 0 0 5 -3,-0.6 2,-1.4 -4,-0.2 3,-0.1 -0.538 71.0-133.5 -76.2 139.9 59.0 37.3 36.9 366 597 A K > - 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0 0 89 1,-0.1 -1,-0.1 -2,-0.1 -2,-0.1 -0.553 50.4 -93.9 -70.2 135.4 36.4 35.2 46.7 391 622 A L - 0 0 54 -2,-0.2 2,-0.5 25,-0.1 -1,-0.1 -0.282 43.2-171.2 -51.6 126.7 36.1 36.2 43.0 392 623 A D > - 0 0 72 1,-0.1 4,-2.9 -3,-0.1 3,-0.2 -0.915 7.6-166.7-127.5 97.2 37.6 39.7 42.6 393 624 A V H > S+ 0 0 22 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.901 87.6 54.9 -52.7 -42.7 36.8 41.0 39.1 394 625 A G H > S+ 0 0 1 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.914 112.0 44.9 -59.8 -39.6 39.2 43.9 39.2 395 626 A L H > S+ 0 0 8 -3,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.918 111.0 52.0 -71.0 -44.1 42.0 41.4 40.1 396 627 A T H >< S+ 0 0 1 -4,-2.9 3,-0.6 1,-0.2 4,-0.4 0.927 109.6 50.8 -59.3 -41.7 41.0 38.9 37.4 397 628 A M H >< S+ 0 0 1 -4,-2.8 3,-1.8 1,-0.2 4,-0.4 0.859 99.8 62.7 -66.3 -31.2 41.0 41.6 34.8 398 629 A Q H >< S+ 0 0 19 -4,-1.5 3,-0.8 1,-0.3 5,-0.2 0.839 102.5 52.9 -62.1 -33.1 44.5 42.9 35.8 399 630 A L T << S+ 0 0 0 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.586 105.0 55.1 -79.9 -6.6 45.8 39.5 34.8 400 631 A L T < S+ 0 0 0 -3,-1.8 38,-0.3 -4,-0.4 -1,-0.2 0.344 91.1 97.3-104.8 7.8 44.1 39.7 31.3 401 632 A D S X S- 0 0 11 -3,-0.8 3,-1.4 -4,-0.4 -3,-0.0 -0.054 95.8 -79.7 -87.6-168.7 45.7 42.9 30.2 402 633 A C T 3 S+ 0 0 8 1,-0.2 -1,-0.1 3,-0.0 -3,-0.1 0.605 117.8 71.2 -69.3 -13.2 48.7 43.8 28.1 403 634 A N T 3 S+ 0 0 71 -5,-0.2 2,-0.5 1,-0.1 -1,-0.2 0.641 91.5 61.6 -80.7 -12.3 51.1 43.1 31.0 404 635 A F < + 0 0 9 -3,-1.4 -1,-0.1 1,-0.1 -202,-0.1 -0.959 43.2 160.9-122.4 116.8 50.7 39.4 31.0 405 636 A S + 0 0 18 -2,-0.5 2,-0.3 34,-0.1 -1,-0.1 0.471 44.3 113.1-100.5 -11.9 51.6 37.2 28.0 406 637 A D > - 0 0 5 1,-0.1 4,-2.6 2,-0.0 5,-0.2 -0.535 58.9-147.9 -73.1 127.6 51.8 33.9 29.9 407 638 A E H > S+ 0 0 97 -2,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.878 97.5 45.5 -55.4 -48.1 49.2 31.3 29.1 408 639 A N H > S+ 0 0 58 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.887 111.7 50.2 -69.3 -39.8 49.1 29.8 32.6 409 640 A V H > S+ 0 0 0 1,-0.2 4,-0.8 2,-0.2 3,-0.3 0.965 116.0 43.1 -66.5 -42.6 49.0 33.1 34.4 410 641 A R H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 3,-0.3 0.850 107.4 61.6 -73.1 -28.9 46.1 34.3 32.2 411 642 A A H X S+ 0 0 36 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.852 99.9 52.9 -63.5 -35.3 44.3 31.0 32.4 412 643 A I H X S+ 0 0 2 -4,-1.5 4,-1.1 -3,-0.3 -1,-0.2 0.790 106.7 54.3 -74.1 -20.3 43.9 31.3 36.2 413 644 A A H >X S+ 0 0 0 -4,-0.8 4,-1.4 -3,-0.3 3,-1.2 0.975 110.0 46.0 -68.6 -54.4 42.3 34.7 35.6 414 645 A V H 3X S+ 0 0 6 -4,-2.3 4,-1.4 1,-0.3 -2,-0.2 0.817 104.8 63.9 -55.5 -32.3 39.9 33.0 33.3 415 646 A Q H 3< S+ 0 0 55 -4,-1.9 4,-0.3 1,-0.2 -1,-0.3 0.857 102.0 48.1 -61.3 -35.8 39.4 30.3 36.0 416 647 A K H X< S+ 0 0 16 -3,-1.2 3,-1.4 -4,-1.1 -1,-0.2 0.860 104.9 58.6 -76.4 -29.6 38.0 32.8 38.3 417 648 A L H >< S+ 0 0 1 -4,-1.4 3,-2.9 1,-0.3 -1,-0.2 0.825 88.1 77.2 -66.7 -31.7 35.6 34.2 35.7 418 649 A E T 3< S+ 0 0 76 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.802 90.9 55.1 -47.3 -33.7 34.2 30.7 35.4 419 650 A S T < S+ 0 0 83 -3,-1.4 -1,-0.3 -4,-0.3 2,-0.2 0.438 81.3 112.0 -84.9 5.7 32.3 31.4 38.7 420 651 A L < - 0 0 8 -3,-2.9 2,-0.2 -4,-0.1 -3,-0.0 -0.541 66.6-127.8 -78.4 143.9 30.5 34.5 37.4 421 652 A E >> - 0 0 45 -2,-0.2 4,-2.0 1,-0.1 3,-1.8 -0.509 29.5-102.7 -83.0 158.8 26.8 34.3 37.0 422 653 A D H 3> S+ 0 0 44 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.860 120.7 61.8 -49.6 -41.5 25.3 35.4 33.6 423 654 A D H 3> S+ 0 0 7 -363,-0.4 4,-0.7 1,-0.2 -1,-0.3 0.854 109.4 41.6 -58.0 -31.7 24.1 38.6 35.1 424 655 A D H <> S+ 0 0 29 -3,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.852 107.6 58.0 -83.1 -36.8 27.8 39.5 35.8 425 656 A V H X S+ 0 0 1 -4,-2.0 4,-1.5 1,-0.3 -2,-0.2 0.921 106.3 53.7 -57.4 -39.7 29.2 38.3 32.6 426 657 A L H < S+ 0 0 24 -4,-2.5 4,-0.4 1,-0.2 -1,-0.3 0.825 104.2 53.4 -63.8 -34.8 26.7 40.7 31.0 427 658 A H H < S+ 0 0 36 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.883 123.4 27.2 -69.8 -30.5 28.1 43.6 33.0 428 659 A Y H X S+ 0 0 18 -4,-1.8 4,-2.7 -3,-0.1 3,-0.4 0.416 88.2 106.2-111.3 2.3 31.7 42.9 31.9 429 660 A L H X S+ 0 0 2 -4,-1.5 4,-2.7 1,-0.3 5,-0.2 0.885 78.7 52.4 -49.8 -50.8 31.2 41.2 28.5 430 661 A L H > S+ 0 0 3 -4,-0.4 4,-2.2 2,-0.2 -1,-0.3 0.902 113.1 45.3 -57.5 -44.3 32.3 44.2 26.5 431 662 A Q H > S+ 0 0 9 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.912 111.8 51.7 -66.8 -40.8 35.6 44.4 28.5 432 663 A L H X S+ 0 0 0 -4,-2.7 4,-0.5 2,-0.2 -1,-0.2 0.868 110.2 49.3 -62.1 -38.4 36.2 40.7 28.3 433 664 A V H >< S+ 0 0 0 -4,-2.7 3,-1.3 -5,-0.3 4,-0.4 0.928 110.9 50.3 -67.2 -42.3 35.8 40.8 24.5 434 665 A Q H >< S+ 0 0 8 -4,-2.2 3,-2.0 -5,-0.2 -2,-0.2 0.904 101.6 62.7 -61.5 -32.2 38.2 43.8 24.3 435 666 A A H >< S+ 0 0 1 -4,-2.3 3,-1.9 1,-0.3 4,-0.4 0.672 82.1 78.8 -70.7 -12.4 40.7 41.8 26.4 436 667 A V G X< S+ 0 0 1 -3,-1.3 3,-1.0 -4,-0.5 -1,-0.3 0.779 83.1 68.4 -63.4 -21.6 41.0 39.2 23.7 437 668 A K G < S+ 0 0 5 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.736 93.0 55.4 -68.4 -21.8 43.2 41.7 22.1 438 669 A F G < S+ 0 0 12 -3,-1.9 -1,-0.2 -38,-0.3 -2,-0.2 0.491 84.6 104.6 -88.7 -4.8 45.9 41.2 24.8 439 670 A E < - 0 0 16 -3,-1.0 -34,-0.1 -4,-0.4 -33,-0.0 -0.563 64.6-148.3 -73.1 131.6 46.0 37.4 24.1 440 671 A P S S+ 0 0 19 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.867 79.8 49.8 -72.7 -28.8 49.1 36.4 22.2 441 672 A Y S S- 0 0 21 1,-0.1 -2,-0.1 2,-0.1 -182,-0.0 -0.756 77.1-130.2-109.7 150.8 47.3 33.4 20.4 442 673 A H S S+ 0 0 16 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.929 100.7 55.1 -62.3 -44.1 44.0 33.3 18.5 443 674 A D S S+ 0 0 29 -413,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.796 78.9 151.0 -92.0 123.7 42.8 30.2 20.4 444 675 A S > - 0 0 13 -2,-0.6 4,-2.4 1,-0.1 5,-0.2 -0.965 60.4-107.4-148.0 165.3 42.9 31.0 24.2 445 676 A A H > S+ 0 0 44 -2,-0.3 4,-2.1 1,-0.2 5,-0.2 0.952 120.1 50.2 -63.1 -39.8 41.2 30.2 27.4 446 677 A L H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.910 110.8 48.4 -62.2 -44.3 39.5 33.7 27.5 447 678 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 112.2 49.8 -64.2 -34.7 38.2 33.3 23.9 448 679 A R H X S+ 0 0 82 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.828 108.2 53.6 -71.5 -36.8 36.9 29.8 24.8 449 680 A F H X S+ 0 0 0 -4,-2.1 4,-2.8 -5,-0.2 5,-0.2 0.896 108.8 48.0 -64.6 -40.6 35.2 31.2 27.9 450 681 A L H X S+ 0 0 3 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.947 112.6 49.6 -67.2 -48.4 33.4 33.9 25.8 451 682 A L H X S+ 0 0 1 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.972 113.5 46.8 -48.0 -55.3 32.3 31.2 23.3 452 683 A K H X S+ 0 0 56 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.911 113.0 46.1 -60.0 -45.9 31.0 29.0 26.1 453 684 A R H X S+ 0 0 11 -4,-2.8 4,-1.0 1,-0.2 8,-0.3 0.842 112.9 51.3 -69.6 -31.5 29.1 31.7 27.9 454 685 A G H < S+ 0 0 0 -4,-2.2 7,-0.7 -5,-0.2 3,-0.2 0.901 111.2 47.1 -65.4 -43.1 27.6 33.0 24.7 455 686 A L H < S+ 0 0 0 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.688 109.6 54.8 -73.4 -18.0 26.4 29.5 23.7 456 687 A R H < S+ 0 0 89 -4,-1.3 2,-0.4 1,-0.2 -1,-0.2 0.766 115.7 36.4 -85.6 -27.1 25.0 28.8 27.1 457 688 A N X - 0 0 13 -4,-1.0 4,-3.0 -3,-0.2 -1,-0.2 -0.982 62.4-149.6-138.6 130.5 22.8 31.9 27.1 458 689 A K H > S+ 0 0 33 -2,-0.4 4,-2.4 -404,-0.3 5,-0.2 0.857 99.9 50.1 -63.8 -37.0 20.9 33.8 24.4 459 690 A R H > S+ 0 0 40 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.940 113.9 44.6 -74.7 -36.1 21.2 37.2 25.9 460 691 A I H > S+ 0 0 1 -7,-0.2 4,-3.3 1,-0.2 -2,-0.2 0.961 114.9 49.4 -70.9 -40.1 25.0 36.9 26.3 461 692 A G H X S+ 0 0 0 -4,-3.0 4,-3.0 -7,-0.7 -2,-0.2 0.918 107.9 54.5 -63.9 -36.7 25.3 35.4 22.8 462 693 A H H X S+ 0 0 7 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.969 115.8 37.6 -61.6 -52.4 23.2 38.2 21.3 463 694 A F H X S+ 0 0 25 -4,-2.1 4,-2.7 1,-0.2 5,-0.3 0.897 111.5 58.7 -67.2 -37.6 25.5 40.8 22.8 464 695 A L H X S+ 0 0 1 -4,-3.3 4,-2.7 -5,-0.2 5,-0.2 0.934 104.8 54.0 -56.9 -42.7 28.6 38.8 22.1 465 696 A F H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 5,-0.2 0.950 111.1 42.4 -53.3 -58.3 27.6 38.8 18.4 466 697 A W H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.877 112.8 53.1 -62.5 -35.1 27.3 42.6 18.2 467 698 A F H X S+ 0 0 9 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.937 114.4 42.4 -69.3 -34.2 30.5 43.2 20.2 468 699 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 -5,-0.3 3,-0.4 0.958 114.2 50.0 -78.0 -45.9 32.4 40.9 17.9 469 700 A R H X S+ 0 0 17 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.857 106.5 56.8 -56.8 -37.1 30.9 42.3 14.7 470 701 A S H X S+ 0 0 0 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.890 113.4 39.6 -60.2 -44.9 31.6 45.9 15.8 471 702 A E H X S+ 0 0 4 -4,-1.3 4,-2.8 -3,-0.4 3,-0.3 0.886 114.1 53.4 -74.3 -41.6 35.3 45.0 16.1 472 703 A I H < S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.879 109.2 50.8 -58.5 -38.0 35.4 42.8 13.0 473 704 A A H < S+ 0 0 31 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.762 128.1 16.6 -72.3 -27.6 33.9 45.6 10.9 474 705 A Q H < S+ 0 0 27 -4,-0.8 2,-0.7 -3,-0.3 -2,-0.2 0.450 104.1 83.3-129.7 -5.5 36.2 48.3 11.9 475 706 A S X + 0 0 7 -4,-2.8 4,-1.6 1,-0.2 3,-0.3 -0.882 42.0 177.0-100.7 110.6 39.3 46.8 13.5 476 707 A R T 4 S+ 0 0 124 -2,-0.7 4,-0.4 1,-0.2 -1,-0.2 0.888 81.2 59.8 -73.5 -33.4 41.8 45.7 10.8 477 708 A H T 4 S+ 0 0 29 1,-0.2 -189,-0.5 2,-0.1 -1,-0.2 0.725 124.1 14.6 -65.9 -31.0 44.3 44.7 13.5 478 709 A Y T > S+ 0 0 5 -3,-0.3 4,-2.6 -7,-0.2 5,-0.2 0.384 89.7 103.2-127.4 1.2 42.0 42.1 15.1 479 710 A Q H X S+ 0 0 12 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.857 83.0 57.3 -56.4 -33.6 39.1 41.3 12.7 480 711 A Q H > S+ 0 0 10 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.964 110.8 40.1 -63.8 -52.4 40.7 38.0 11.7 481 712 A R H > S+ 0 0 7 1,-0.2 4,-1.9 2,-0.2 3,-0.4 0.964 118.2 48.2 -62.5 -47.2 40.9 36.6 15.3 482 713 A F H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.796 106.4 57.2 -65.3 -28.8 37.4 38.0 16.2 483 714 A A H X S+ 0 0 0 -4,-2.3 4,-2.9 -5,-0.2 -1,-0.2 0.874 106.5 50.3 -66.4 -39.5 35.8 36.6 13.0 484 715 A V H X S+ 0 0 3 -4,-1.6 4,-2.0 -3,-0.4 -2,-0.2 0.890 111.5 48.1 -67.0 -40.5 37.0 33.1 13.9 485 716 A I H X S+ 0 0 2 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.970 112.9 47.6 -67.0 -39.4 35.5 33.6 17.4 486 717 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.902 110.2 51.9 -66.2 -44.6 32.2 34.9 15.9 487 718 A E H X S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.895 106.5 54.2 -57.9 -45.1 32.0 32.0 13.4 488 719 A A H < S+ 0 0 2 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.886 112.7 44.3 -54.9 -39.0 32.5 29.4 16.2 489 720 A Y H >X S+ 0 0 0 -4,-1.7 3,-2.1 1,-0.2 4,-1.3 0.929 110.2 53.3 -74.0 -40.2 29.6 31.0 18.0 490 721 A L H 3< S+ 0 0 1 -4,-2.8 4,-0.5 1,-0.3 3,-0.3 0.853 102.3 61.0 -63.1 -36.1 27.3 31.3 15.0 491 722 A R T 3< S+ 0 0 46 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.493 115.7 30.8 -72.0 -0.9 27.9 27.6 14.3 492 723 A G T <4 S+ 0 0 0 -3,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.487 92.6 86.1-133.4 -3.8 26.3 26.7 17.7 493 724 A C S < S- 0 0 0 -4,-1.3 4,-0.4 -3,-0.3 3,-0.1 0.714 93.3-116.0 -72.1 -21.2 23.7 29.3 18.6 494 725 A G > - 0 0 3 -4,-0.5 4,-2.5 1,-0.1 -330,-0.2 -0.054 22.6 -78.2 105.2 152.4 21.0 27.6 16.6 495 726 A T H > S+ 0 0 64 -332,-2.1 4,-2.3 1,-0.2 -333,-0.2 0.841 123.6 56.2 -58.6 -39.3 18.8 28.2 13.6 496 727 A A H > S+ 0 0 23 -335,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.956 112.9 39.7 -59.3 -58.7 16.3 30.5 15.5 497 728 A M H > S+ 0 0 11 -4,-0.4 4,-3.3 2,-0.2 5,-0.3 0.902 114.0 55.4 -54.1 -47.0 19.1 32.9 16.6 498 729 A L H X S+ 0 0 13 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.893 109.6 46.5 -53.6 -41.3 20.8 32.7 13.2 499 730 A H H X S+ 0 0 97 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.905 111.3 52.0 -69.7 -44.0 17.5 33.7 11.6 500 731 A D H X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 53,-0.3 0.951 110.9 46.9 -58.4 -48.3 17.1 36.6 14.2 501 732 A F H X S+ 0 0 2 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.870 108.6 56.1 -58.4 -39.7 20.7 37.9 13.4 502 733 A T H X S+ 0 0 33 -4,-1.8 4,-2.6 -5,-0.3 -1,-0.2 0.937 107.6 48.9 -59.2 -43.4 20.0 37.6 9.7 503 734 A Q H X S+ 0 0 31 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.899 110.8 49.3 -64.4 -43.2 17.0 39.9 10.1 504 735 A Q H X S+ 0 0 2 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.909 111.7 49.5 -63.1 -40.9 18.9 42.4 12.2 505 736 A V H X S+ 0 0 7 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.912 109.1 50.7 -68.5 -42.2 21.7 42.5 9.6 506 737 A Q H X S+ 0 0 69 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.937 110.7 50.8 -60.5 -42.8 19.3 43.0 6.6 507 738 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.946 114.4 41.4 -60.2 -53.8 17.6 45.9 8.4 508 739 A I H X S+ 0 0 5 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.912 113.3 53.9 -67.1 -34.2 20.8 47.7 9.2 509 740 A E H X S+ 0 0 86 -4,-3.1 4,-1.6 1,-0.2 -1,-0.2 0.892 111.3 46.7 -62.3 -37.5 22.2 46.9 5.7 510 741 A M H X S+ 0 0 17 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.853 108.6 54.6 -68.8 -47.4 19.1 48.5 4.1 511 742 A L H X S+ 0 0 2 -4,-2.4 4,-3.3 2,-0.2 5,-0.2 0.863 104.6 55.6 -61.2 -28.2 19.3 51.5 6.4 512 743 A Q H X S+ 0 0 56 -4,-2.1 4,-4.0 2,-0.2 5,-0.2 0.970 108.2 47.7 -65.6 -45.0 22.9 52.1 5.2 513 744 A K H X S+ 0 0 138 -4,-1.6 4,-2.9 1,-0.2 5,-0.3 0.926 114.8 45.1 -59.1 -50.1 21.7 52.2 1.7 514 745 A V H X S+ 0 0 7 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.948 115.3 47.8 -58.7 -49.0 18.9 54.6 2.6 515 746 A T H X S+ 0 0 1 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.935 114.5 47.7 -54.5 -46.9 21.3 56.7 4.7 516 747 A L H X S+ 0 0 69 -4,-4.0 4,-1.3 -5,-0.2 -2,-0.2 0.916 111.6 46.3 -66.4 -47.2 23.8 56.7 1.9 517 748 A D H >X S+ 0 0 82 -4,-2.9 4,-0.8 1,-0.2 3,-0.6 0.940 119.5 42.9 -60.2 -41.1 21.4 57.7 -1.0 518 749 A I H 3< S+ 0 0 4 -4,-2.5 3,-0.5 -5,-0.3 -2,-0.2 0.877 105.6 66.0 -66.6 -36.1 20.0 60.4 1.3 519 750 A K H 3< S+ 0 0 67 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.779 93.1 60.0 -58.7 -34.8 23.5 61.2 2.4 520 751 A S H << S+ 0 0 101 -4,-1.3 2,-1.1 -3,-0.6 -1,-0.2 0.923 95.2 63.0 -65.2 -43.1 24.4 62.4 -1.2 521 752 A L S < S+ 0 0 70 -4,-0.8 2,-0.3 -3,-0.5 -1,-0.1 -0.716 94.2 83.9 -78.9 108.9 21.7 65.1 -1.2 522 753 A S - 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