==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-12 4ANV . COMPND 2 MOLECULE: PHOSPHATIDYLINOSITOL-4,5-BISPHOSPHATE 3-KINASE CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR P.G.FOSTER,J.C.LOUGHEED . 848 9 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 569 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 115 13.6 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 . 2 0.2 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 . 60 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 88 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 3 4 1 2 2 4 1 4 2 1 0 2 1 0 1 1 0 0 0 0 0 1 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 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 5 4 2 1 3 3 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 2 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 0 103 0, 0.0 4,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-174.5 37.5 -30.9 50.5 2 145 A E + 0 0 120 2,-0.1 2,-0.2 3,-0.1 0, 0.0 -0.278 360.0 75.8-160.1 73.6 39.4 -27.8 51.5 3 146 A E S S+ 0 0 140 0, 0.0 2,-2.0 0, 0.0 0, 0.0 -0.066 101.2 32.3 58.1 117.2 41.0 -27.8 48.8 4 147 A S S > S+ 0 0 52 -2,-0.2 4,-2.0 1,-0.2 -2,-0.1 -0.139 115.3 61.5 73.1 -44.9 38.2 -26.4 46.6 5 148 A Q H > S+ 0 0 88 -2,-2.0 4,-1.0 2,-0.2 -1,-0.2 0.769 107.0 45.4 -74.7 -30.6 37.0 -24.4 49.6 6 149 A A H > S+ 0 0 50 2,-0.2 4,-1.7 3,-0.1 -1,-0.1 0.940 114.6 47.2 -73.7 -52.1 40.4 -22.6 49.5 7 150 A F H > S+ 0 0 13 2,-0.2 4,-3.1 1,-0.2 3,-0.3 0.909 111.7 50.5 -47.6 -52.1 40.2 -22.2 45.7 8 151 A Q H X S+ 0 0 23 -4,-2.0 4,-2.4 1,-0.3 -1,-0.2 0.848 109.8 51.1 -61.1 -33.4 36.6 -20.9 46.0 9 152 A R H X S+ 0 0 163 -4,-1.0 4,-1.0 2,-0.2 -1,-0.3 0.779 110.7 48.8 -73.8 -31.6 37.8 -18.5 48.6 10 153 A Q H X S+ 0 0 73 -4,-1.7 4,-1.5 -3,-0.3 3,-0.3 0.948 110.9 50.9 -63.8 -55.8 40.6 -17.4 46.2 11 154 A L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 3,-0.4 0.877 105.1 55.5 -45.0 -57.2 38.0 -17.0 43.4 12 155 A T H X>S+ 0 0 36 -4,-2.4 4,-2.8 1,-0.2 5,-0.9 0.873 106.2 51.5 -47.1 -45.8 35.7 -14.8 45.6 13 156 A A H <5S+ 0 0 62 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.828 111.8 47.0 -66.4 -33.8 38.5 -12.3 46.2 14 157 A L H <5S+ 0 0 3 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.852 117.9 41.0 -69.8 -38.9 39.3 -12.1 42.5 15 158 A I H <5S- 0 0 0 -4,-2.2 -2,-0.2 2,-0.2 -3,-0.2 0.860 97.3-137.1 -79.4 -39.5 35.6 -11.6 41.5 16 159 A G T <5S+ 0 0 53 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.720 77.4 77.6 80.6 26.2 34.7 -9.3 44.4 17 160 A Y S - 0 0 59 -2,-0.3 3,-1.1 1,-0.1 -9,-0.1 -0.860 18.4-173.8-102.0 104.3 30.5 -14.5 46.5 19 162 A V T 3 S+ 0 0 8 -2,-0.8 -1,-0.1 1,-0.2 15,-0.1 0.653 84.9 62.2 -70.2 -16.3 28.8 -16.7 44.1 20 163 A T T 3 S+ 0 0 64 -12,-0.1 -1,-0.2 2,-0.0 2,-0.1 0.611 76.6 113.4 -83.5 -16.2 28.0 -19.3 46.9 21 164 A D < + 0 0 60 -3,-1.1 3,-0.0 1,-0.1 0, 0.0 -0.422 38.7 173.7 -58.6 125.7 25.9 -16.5 48.5 22 165 A V + 0 0 101 -2,-0.1 3,-0.5 1,-0.1 -1,-0.1 0.019 50.4 98.4-128.9 19.0 22.2 -17.8 48.2 23 166 A S S S+ 0 0 77 1,-0.2 2,-0.1 3,-0.0 -1,-0.1 0.784 81.8 42.7 -87.4 -31.5 20.7 -15.0 50.3 24 167 A N S S+ 0 0 13 -3,-0.0 270,-0.5 270,-0.0 2,-0.3 -0.379 98.7 95.2-112.5 53.5 19.4 -12.6 47.6 25 168 A V - 0 0 45 -3,-0.5 3,-0.1 -2,-0.1 -3,-0.1 -0.862 49.1-170.6-140.9 151.1 18.0 -15.3 45.4 26 169 A H S S+ 0 0 61 -2,-0.3 2,-0.3 1,-0.1 -1,-0.0 0.177 73.2 19.6-136.6 17.7 14.5 -16.8 45.1 27 170 A D S S- 0 0 47 -5,-0.0 3,-0.3 0, 0.0 4,-0.2 -0.950 86.1 -88.8-162.6-175.5 15.3 -19.7 42.9 28 171 A D S > S+ 0 0 53 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.419 80.1 111.0 -75.5 -5.7 17.8 -22.0 41.6 29 172 A E H > S+ 0 0 4 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.794 79.1 42.2 -58.9 -44.0 19.0 -20.0 38.4 30 173 A L H > S+ 0 0 23 -3,-0.3 4,-2.6 2,-0.2 3,-0.4 0.942 116.5 46.0 -67.2 -50.4 22.5 -19.0 39.4 31 174 A E H > S+ 0 0 58 1,-0.3 4,-1.8 -4,-0.2 -2,-0.2 0.905 112.3 53.6 -60.0 -45.0 23.6 -22.3 40.9 32 175 A F H X S+ 0 0 68 -4,-2.7 4,-1.8 2,-0.2 -1,-0.3 0.810 108.6 49.5 -52.4 -36.0 22.1 -24.0 37.9 33 176 A T H X S+ 0 0 2 -4,-1.3 4,-2.4 -3,-0.4 -2,-0.2 0.873 105.6 56.9 -78.9 -37.6 24.2 -21.7 35.6 34 177 A R H < S+ 0 0 25 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.952 113.9 38.4 -50.2 -51.9 27.3 -22.5 37.6 35 178 A R H >X S+ 0 0 119 -4,-1.8 3,-0.8 1,-0.2 4,-0.5 0.838 113.4 57.7 -72.1 -34.6 26.9 -26.2 37.0 36 179 A G H >< S+ 0 0 23 -4,-1.8 3,-0.6 1,-0.2 -2,-0.2 0.894 102.5 53.7 -63.3 -39.8 25.6 -25.7 33.4 37 180 A L T 3X S+ 0 0 3 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.606 84.9 85.2 -74.6 -10.3 28.8 -23.8 32.4 38 181 A V H <> S+ 0 0 21 -3,-0.8 4,-2.1 -4,-0.4 -1,-0.2 0.919 91.5 49.1 -54.5 -45.7 31.1 -26.7 33.6 39 182 A T H S+ 0 0 23 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.864 116.6 49.1 -53.5 -37.3 31.4 -25.6 27.9 41 184 A R H X S+ 0 0 3 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.824 113.3 45.4 -68.3 -37.7 34.4 -24.6 30.0 42 185 A M H X S+ 0 0 83 -4,-2.1 4,-2.3 -5,-0.2 5,-0.2 0.851 110.0 53.8 -75.7 -37.3 35.8 -28.2 30.1 43 186 A A H X S+ 0 0 57 -4,-2.8 4,-1.0 -5,-0.2 -2,-0.2 0.841 113.8 43.0 -62.0 -34.2 35.2 -28.7 26.4 44 187 A E H X S+ 0 0 14 -4,-1.3 4,-1.1 -5,-0.2 -2,-0.2 0.935 114.6 48.6 -81.2 -47.3 37.3 -25.4 25.7 45 188 A V H < S+ 0 0 35 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.935 116.4 43.7 -50.6 -52.1 40.0 -26.2 28.2 46 189 A A H < S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.817 115.1 49.0 -63.2 -31.7 40.4 -29.8 26.9 47 190 A S H < S+ 0 0 80 -4,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.546 87.0 114.4 -90.6 -10.9 40.3 -28.6 23.2 48 191 A R S < S- 0 0 29 -4,-1.1 418,-0.0 -3,-0.5 3,-0.0 -0.402 70.8-126.4 -64.4 131.8 42.8 -25.9 23.6 49 192 A D > - 0 0 83 -2,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.730 23.0-156.0 -71.7 115.5 46.2 -26.1 21.8 50 193 A P H > S+ 0 0 74 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.747 85.0 54.3 -70.8 -25.3 48.5 -25.6 24.9 51 194 A K H > S+ 0 0 137 2,-0.2 4,-1.0 1,-0.2 5,-0.1 0.958 115.4 37.5 -75.6 -52.2 51.5 -24.2 22.9 52 195 A L H > S+ 0 0 77 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.803 111.8 61.2 -67.2 -32.2 49.6 -21.4 21.2 53 196 A Y H < S+ 0 0 8 -4,-1.7 415,-0.5 1,-0.2 3,-0.4 0.938 107.7 44.3 -56.3 -47.4 47.5 -20.8 24.3 54 197 A A H < S+ 0 0 5 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.704 119.5 40.0 -73.4 -28.2 50.7 -19.9 26.3 55 198 A M H < S- 0 0 4 -4,-1.0 69,-0.6 100,-0.1 -1,-0.2 0.438 85.8-163.5-101.5 -5.5 52.2 -17.7 23.6 56 199 A H < - 0 0 30 -4,-1.1 -3,-0.1 -3,-0.4 68,-0.1 0.646 10.1-154.0 22.1 57.3 49.0 -16.1 22.6 57 200 A P - 0 0 26 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.177 5.2-139.8 -52.2 139.9 50.1 -14.7 19.3 58 201 A W + 0 0 71 66,-0.5 77,-2.3 411,-0.0 78,-0.5 -0.897 39.7 151.8-110.6 110.3 48.1 -11.6 18.2 59 202 A V B -A 134 0A 44 -2,-0.7 2,-0.3 75,-0.2 374,-0.2 -0.677 29.7-152.0-132.4 171.9 47.4 -11.7 14.5 60 203 A T - 0 0 2 73,-1.3 -2,-0.0 -2,-0.2 372,-0.0 -0.960 16.4-148.9-145.7 154.9 44.9 -10.6 11.9 61 204 A S + 0 0 97 -2,-0.3 3,-0.1 2,-0.1 72,-0.0 0.319 65.6 115.3-100.1 -0.5 43.7 -11.9 8.5 62 205 A K S S- 0 0 47 71,-0.1 -2,-0.1 1,-0.1 572,-0.0 -0.400 79.1 -98.8 -70.7 149.3 43.0 -8.4 7.3 63 206 A P - 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.291 44.4 -98.1 -61.3 157.2 45.1 -7.2 4.5 64 207 A L - 0 0 4 1,-0.1 5,-0.1 -3,-0.1 69,-0.1 -0.652 54.0-106.0 -72.5 127.5 48.0 -4.9 5.5 65 208 A P >> - 0 0 9 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.113 21.0-111.5 -61.4 156.5 46.6 -1.4 4.9 66 209 A E H 3> S+ 0 0 117 567,-0.2 4,-1.8 2,-0.2 -2,-0.1 0.732 114.0 58.4 -44.3 -20.8 47.8 0.7 2.0 67 210 A Y H 34 S+ 0 0 41 1,-0.3 -1,-0.2 2,-0.2 571,-0.1 0.500 104.0 44.9-105.0 -16.4 49.4 3.0 4.4 68 211 A L H X4 S+ 0 0 3 -3,-0.5 3,-0.9 2,-0.0 -1,-0.3 0.014 103.7 64.7 79.5 -76.9 51.5 0.7 6.0 69 212 A W H >< S+ 0 0 103 -4,-1.4 3,-3.1 1,-0.2 -2,-0.2 0.971 95.4 61.8 -64.3 -51.0 52.5 -0.8 2.6 70 213 A K T 3< S+ 0 0 177 -4,-1.8 -1,-0.2 1,-0.3 -3,-0.1 0.374 96.1 62.1 -53.9 7.3 54.1 2.7 1.8 71 214 A K T < S+ 0 0 116 -3,-0.9 2,-0.6 1,-0.1 -1,-0.3 0.314 88.5 74.1-112.9 5.5 56.4 2.1 4.8 72 215 A I X - 0 0 15 -3,-3.1 3,-0.6 1,-0.2 -1,-0.1 -0.923 66.4-172.0-120.0 101.8 58.0 -1.1 3.3 73 216 A A T 3 S+ 0 0 92 -2,-0.6 -1,-0.2 1,-0.2 4,-0.1 0.900 73.5 11.2 -71.9 -46.6 60.4 0.3 0.5 74 217 A N T 3 S- 0 0 145 2,-0.2 -1,-0.2 0, 0.0 3,-0.1 -0.381 117.5 -77.5-132.0 51.6 61.7 -2.8 -1.4 75 218 A N S < S+ 0 0 107 -3,-0.6 2,-0.4 1,-0.2 -2,-0.1 0.829 100.0 127.1 53.1 34.4 59.5 -5.8 -0.2 76 219 A C - 0 0 24 17,-0.2 2,-0.4 18,-0.1 17,-0.2 -0.925 41.5-177.9-127.6 146.2 61.7 -5.7 2.9 77 220 A I E -B 92 0B 7 15,-2.8 15,-2.1 -2,-0.4 2,-0.4 -0.986 21.2-141.0-137.3 130.3 61.2 -5.6 6.7 78 221 A F E -B 91 0B 112 -2,-0.4 69,-0.7 13,-0.2 2,-0.4 -0.797 15.7-173.0 -96.1 137.6 64.1 -5.5 9.1 79 222 A I E -Bc 90 147B 1 11,-1.8 11,-1.0 -2,-0.4 2,-0.6 -0.997 13.8-148.3-129.3 123.8 64.0 -7.5 12.4 80 223 A V E -Bc 89 148B 13 67,-2.1 69,-2.6 -2,-0.4 2,-0.6 -0.849 14.5-158.3 -97.0 122.1 66.7 -7.1 15.1 81 224 A I E -Bc 88 149B 3 7,-1.9 7,-1.2 -2,-0.6 69,-0.2 -0.881 6.5-158.1-110.2 113.4 67.2 -10.4 17.0 82 225 A H E +Bc 87 150B 32 67,-2.8 69,-1.7 -2,-0.6 5,-0.2 -0.477 17.0 173.4 -92.4 157.5 68.8 -10.2 20.4 83 226 A R E > S-B 86 0B 128 3,-1.7 2,-2.5 67,-0.2 3,-1.1 -0.667 72.8 -47.1-164.7 98.8 70.7 -12.9 22.4 84 227 A S T 3 S- 0 0 131 1,-0.2 -2,-0.1 -2,-0.2 3,-0.1 -0.422 124.9 -28.6 69.2 -65.4 72.4 -11.9 25.7 85 228 A T T 3 S+ 0 0 129 -2,-2.5 -1,-0.2 1,-0.1 2,-0.1 0.455 117.4 87.1-157.9 -36.3 74.1 -8.8 24.3 86 229 A T E < -B 83 0B 110 -3,-1.1 -3,-1.7 -4,-0.0 2,-0.2 -0.383 51.6-175.5 -71.2 160.5 74.7 -9.3 20.5 87 230 A S E -B 82 0B 59 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.777 8.9-163.3-165.4 110.5 72.0 -8.4 18.0 88 231 A Q E -B 81 0B 131 -7,-1.2 -7,-1.9 -2,-0.2 2,-1.5 -0.873 19.8-133.4-108.6 135.6 71.8 -8.8 14.2 89 232 A T E -B 80 0B 61 -2,-0.4 -9,-0.2 -9,-0.2 59,-0.0 -0.535 28.3-162.4 -84.9 75.3 69.4 -7.1 11.8 90 233 A I E -B 79 0B 3 -2,-1.5 -11,-1.8 -11,-1.0 2,-0.4 -0.137 16.1-125.3 -50.7 148.9 68.0 -9.8 9.6 91 234 A K E +B 78 0B 127 -13,-0.2 2,-0.3 13,-0.2 -13,-0.2 -0.899 38.0 175.3-105.7 131.6 66.3 -8.9 6.3 92 235 A V E -B 77 0B 5 -15,-2.1 -15,-2.8 -2,-0.4 9,-0.0 -0.935 28.9-122.9-140.4 147.1 62.8 -10.4 5.9 93 236 A S > - 0 0 25 -2,-0.3 3,-1.9 -17,-0.2 38,-0.3 -0.694 30.0-117.5 -89.0 151.2 59.9 -10.3 3.6 94 237 A P T 3 S+ 0 0 0 0, 0.0 38,-1.3 0, 0.0 39,-0.2 0.526 115.1 51.0 -60.3 -26.2 56.4 -9.3 4.8 95 238 A D T 3 S+ 0 0 97 36,-0.1 2,-0.2 35,-0.1 -3,-0.0 0.554 81.2 119.5 -93.7 9.8 55.2 -13.0 4.0 96 239 A D < - 0 0 56 -3,-1.9 35,-2.8 34,-0.2 36,-0.1 -0.437 61.3-133.1 -78.5 137.3 57.8 -14.8 5.9 97 240 A T > - 0 0 35 33,-0.2 4,-1.8 -2,-0.2 5,-0.2 -0.448 22.4-114.9 -70.4 145.4 56.6 -17.0 8.7 98 241 A P H > S+ 0 0 4 0, 0.0 4,-0.9 0, 0.0 -1,-0.1 0.766 122.2 59.0 -49.7 -29.8 58.3 -16.8 12.1 99 242 A G H >> S+ 0 0 44 28,-0.4 4,-1.6 2,-0.2 3,-1.3 0.991 108.2 42.6 -55.6 -63.0 59.3 -20.4 11.2 100 243 A A H 3> S+ 0 0 43 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.726 110.5 56.9 -54.9 -30.1 61.1 -19.1 8.1 101 244 A I H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 2,-0.2 -2,-0.2 0.701 106.1 50.5 -79.6 -20.6 62.6 -16.1 10.0 102 245 A L H XX S+ 0 0 22 -3,-1.3 4,-2.1 -4,-0.9 3,-0.8 0.841 111.3 46.7 -84.8 -35.8 64.3 -18.5 12.5 103 246 A Q H 3X S+ 0 0 136 -4,-1.6 4,-2.6 1,-0.2 5,-0.5 0.941 108.4 56.1 -64.8 -47.3 65.8 -20.7 9.8 104 247 A S H 3< S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.485 111.9 46.8 -60.6 -2.2 66.9 -17.5 8.0 105 248 A F H <4 S+ 0 0 20 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.2 0.776 115.0 38.8-105.8 -46.1 68.7 -16.7 11.4 106 249 A F H >< S+ 0 0 81 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.893 121.3 45.7 -72.4 -41.9 70.5 -20.0 12.2 107 250 A T T 3< S+ 0 0 113 -4,-2.6 2,-0.3 1,-0.2 -1,-0.2 0.773 106.7 63.2 -67.3 -28.2 71.4 -20.6 8.6 108 251 A K T 3 0 0 122 -5,-0.5 -1,-0.2 0, 0.0 -2,-0.1 -0.236 360.0 360.0 -94.1 44.3 72.5 -16.9 8.4 109 252 A M < 0 0 174 -3,-0.7 -3,-0.1 -2,-0.3 -4,-0.0 -0.845 360.0 360.0 -91.1 360.0 75.3 -17.3 11.0 110 ! 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 0.0 111 267 A E 0 0 188 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 87.2 68.1 -27.2 18.6 112 268 A Q + 0 0 179 1,-0.2 2,-2.3 -9,-0.0 -10,-0.0 0.482 360.0 111.0 -40.4 -14.1 64.8 -25.9 16.9 113 269 A D + 0 0 93 40,-0.0 2,-0.3 41,-0.0 -1,-0.2 -0.343 47.0 107.9 -80.6 66.6 63.3 -24.9 20.3 114 270 A F - 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0 0 61 -3,-1.5 3,-2.0 -4,-0.2 4,-0.3 -0.920 66.2-163.5-120.2 100.4 17.2 -10.7 3.0 365 586 A P G > S+ 0 0 27 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.881 92.9 61.1 -46.6 -41.3 19.4 -11.0 6.1 366 587 A K G 3 S+ 0 0 132 1,-0.3 4,-0.4 2,-0.1 -4,-0.1 0.705 96.4 62.7 -60.4 -18.2 19.1 -7.2 6.6 367 588 A A G <> S+ 0 0 0 -3,-2.0 4,-2.4 -6,-0.3 -1,-0.3 0.618 79.8 89.4 -77.1 -11.0 15.3 -7.7 7.0 368 589 A Y H <> S+ 0 0 0 -3,-1.7 4,-3.0 -4,-0.3 5,-0.3 0.867 81.3 49.5 -70.7 -44.6 15.7 -9.9 10.1 369 590 A P H > S+ 0 0 7 0, 0.0 4,-0.9 0, 0.0 -1,-0.3 0.914 117.3 44.0 -52.1 -42.6 15.6 -7.3 12.9 370 591 A K H 4 S+ 0 0 16 -4,-0.4 -2,-0.2 -3,-0.2 -3,-0.1 0.845 114.2 48.6 -77.2 -33.1 12.5 -5.8 11.4 371 592 A L H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 4,-0.3 0.881 112.5 47.7 -69.4 -44.5 10.8 -9.2 10.7 372 593 A F H 3< S+ 0 0 0 -4,-3.0 3,-0.4 1,-0.3 -2,-0.2 0.709 108.3 57.2 -72.0 -15.9 11.5 -10.4 14.2 373 594 A S T 3< S+ 0 0 35 -4,-0.9 -1,-0.3 -5,-0.3 -2,-0.2 0.268 101.9 56.6 -86.8 2.7 10.1 -7.1 15.4 374 595 A S S < S+ 0 0 12 -3,-1.6 2,-0.2 -23,-0.1 -2,-0.2 0.411 82.6 108.7-114.8 -0.1 6.9 -7.9 13.6 375 596 A V S S- 0 0 3 -3,-0.4 2,-1.2 -4,-0.3 3,-0.1 -0.550 70.4-131.0 -74.2 134.7 6.3 -11.3 15.5 376 597 A K > - 0 0 124 -2,-0.2 3,-1.1 1,-0.2 7,-0.4 -0.796 25.4-176.3 -86.7 87.8 3.4 -11.4 18.0 377 598 A W T 3 S+ 0 0 9 -2,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.761 75.4 69.2 -64.8 -21.6 5.3 -13.0 20.8 378 599 A G T 3 S+ 0 0 21 -3,-0.1 2,-0.4 1,-0.1 -1,-0.3 0.109 86.9 79.1 -79.7 23.7 2.1 -13.1 22.9 379 600 A Q X> - 0 0 83 -3,-1.1 4,-2.8 1,-0.1 3,-0.8 -0.907 65.9-155.4-139.7 108.3 0.6 -15.8 20.6 380 601 A Q H 3> S+ 0 0 32 -2,-0.4 4,-1.4 1,-0.3 -1,-0.1 0.795 95.0 47.7 -50.2 -42.2 1.7 -19.4 21.0 381 602 A E H 3> S+ 0 0 139 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.791 112.7 47.4 -74.8 -35.9 0.9 -20.3 17.4 382 603 A I H <> S+ 0 0 26 -3,-0.8 4,-1.6 2,-0.2 3,-0.4 0.913 111.0 50.8 -66.4 -50.4 2.6 -17.3 15.8 383 604 A V H X S+ 0 0 11 -4,-2.8 4,-1.8 -7,-0.4 -2,-0.2 0.875 109.2 53.3 -52.6 -38.8 5.7 -17.9 17.9 384 605 A A H X S+ 0 0 14 -4,-1.4 4,-1.9 -5,-0.3 -1,-0.2 0.838 107.9 49.8 -69.2 -33.5 5.6 -21.5 16.7 385 606 A K H X S+ 0 0 84 -4,-1.0 4,-1.0 -3,-0.4 -1,-0.2 0.731 105.3 57.3 -77.0 -28.8 5.5 -20.3 13.1 386 607 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.873 107.9 47.7 -64.8 -41.3 8.5 -18.0 13.8 387 608 A Y H X S+ 0 0 38 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.935 108.0 53.1 -67.8 -44.5 10.4 -21.1 14.9 388 609 A Q H < S+ 0 0 119 -4,-1.9 -1,-0.2 1,-0.2 4,-0.2 0.792 111.4 50.8 -53.4 -33.0 9.3 -23.1 11.7 389 610 A L H >< S+ 0 0 0 -4,-1.0 3,-1.3 1,-0.2 -2,-0.2 0.901 106.6 50.9 -72.5 -46.6 10.7 -20.1 9.8 390 611 A L H 3< S+ 0 0 6 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.528 101.0 63.3 -69.8 -11.3 14.0 -20.0 11.6 391 612 A A T 3< S+ 0 0 88 -4,-0.8 -1,-0.2 1,-0.2 2,-0.2 0.598 94.0 65.4 -83.5 -12.7 14.5 -23.8 10.8 392 613 A R < + 0 0 117 -3,-1.3 2,-0.8 -4,-0.2 3,-0.4 -0.251 69.4 138.6 -98.8 41.2 14.5 -22.7 7.1 393 614 A R > + 0 0 64 -3,-0.4 4,-1.9 1,-0.2 5,-0.2 -0.197 9.5 125.3 -95.4 45.2 17.8 -20.7 7.4 394 615 A E H > S+ 0 0 155 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.965 80.8 48.3 -68.4 -38.5 19.9 -21.4 4.3 395 616 A V H > S+ 0 0 46 -3,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.881 111.6 48.8 -66.9 -39.6 20.3 -17.7 3.4 396 617 A W H 4 S+ 0 0 2 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.906 113.5 47.0 -67.5 -42.9 21.2 -16.6 6.9 397 618 A D H < S+ 0 0 69 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.816 113.7 45.9 -72.7 -33.7 23.9 -19.3 7.3 398 619 A Q H < S+ 0 0 162 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.672 93.1 110.0 -76.3 -19.3 25.4 -18.6 3.9 399 620 A S S < S- 0 0 28 -4,-1.1 2,-0.3 -5,-0.2 3,-0.1 -0.224 77.9-107.2 -62.5 147.0 25.4 -14.8 4.5 400 621 A A - 0 0 90 1,-0.1 -1,-0.1 0, 0.0 -2,-0.1 -0.584 47.1 -97.1 -67.4 129.5 28.6 -12.8 5.1 401 622 A L - 0 0 52 -2,-0.3 2,-0.5 25,-0.1 -1,-0.1 -0.229 38.8-171.7 -49.5 131.5 28.9 -11.8 8.7 402 623 A D > - 0 0 62 1,-0.1 4,-1.9 -3,-0.1 5,-0.1 -0.973 8.3-162.5-126.7 105.4 27.7 -8.3 9.3 403 624 A V H > S+ 0 0 18 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.858 89.1 56.5 -63.2 -32.5 28.6 -7.3 12.9 404 625 A G H > S+ 0 0 0 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.940 109.3 44.5 -59.7 -53.7 26.1 -4.4 12.8 405 626 A L H > S+ 0 0 10 2,-0.2 4,-0.6 1,-0.1 -1,-0.2 0.856 114.7 49.6 -55.9 -40.9 23.2 -6.7 11.9 406 627 A T H >X S+ 0 0 1 -4,-1.9 3,-2.4 1,-0.2 4,-0.7 0.985 106.5 53.5 -70.6 -57.4 24.2 -9.3 14.5 407 628 A M H >< S+ 0 0 0 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.835 103.6 60.0 -34.4 -48.1 24.6 -6.8 17.3 408 629 A Q H >< S+ 0 0 14 -4,-1.5 3,-0.8 1,-0.2 -1,-0.3 0.760 100.3 53.3 -58.7 -29.6 21.0 -5.6 16.6 409 630 A L H << S+ 0 0 0 -3,-2.4 -1,-0.2 -4,-0.6 -2,-0.2 0.593 107.1 54.3 -83.7 -10.4 19.7 -9.1 17.2 410 631 A L T << S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.7 38,-0.2 0.161 92.2 98.5-106.3 16.2 21.4 -9.1 20.7 411 632 A D S X S- 0 0 12 -3,-0.8 3,-1.3 36,-0.0 -3,-0.1 -0.063 94.0 -77.3 -95.8-165.3 19.8 -5.8 21.9 412 633 A C T 3 S+ 0 0 8 1,-0.3 -3,-0.1 3,-0.0 -4,-0.0 0.653 121.7 62.5 -71.6 -18.2 16.9 -4.9 24.2 413 634 A N T 3 S+ 0 0 80 -5,-0.2 2,-0.6 -206,-0.1 -1,-0.3 0.511 93.8 66.5 -84.0 -11.0 14.3 -5.6 21.5 414 635 A F < + 0 0 10 -3,-1.3 -208,-0.1 1,-0.1 -1,-0.1 -0.964 45.0 151.8-124.6 112.4 15.1 -9.3 21.1 415 636 A S + 0 0 11 -2,-0.6 2,-0.3 -209,-0.1 -1,-0.1 0.359 39.2 109.2-116.5 -6.2 14.4 -11.5 24.0 416 637 A D > - 0 0 4 1,-0.2 4,-2.0 -211,-0.1 5,-0.2 -0.622 63.7-142.3 -80.2 131.3 13.7 -14.8 22.2 417 638 A E H > S+ 0 0 103 -2,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.807 99.0 50.1 -57.8 -37.0 16.5 -17.4 22.8 418 639 A N H > S+ 0 0 58 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.858 109.0 48.5 -81.0 -39.5 16.2 -18.6 19.2 419 640 A V H > S+ 0 0 0 1,-0.2 4,-0.6 2,-0.2 3,-0.3 0.919 115.6 46.5 -57.2 -44.7 16.4 -15.3 17.5 420 641 A R H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.782 104.3 61.9 -73.2 -27.2 19.4 -14.4 19.7 421 642 A A H X S+ 0 0 37 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.832 99.5 53.3 -72.0 -35.3 21.2 -17.8 19.1 422 643 A I H X S+ 0 0 5 -4,-1.1 4,-1.1 -3,-0.3 -1,-0.2 0.679 106.5 54.3 -71.8 -22.1 21.5 -17.2 15.3 423 644 A A H X S+ 0 0 0 -4,-0.6 4,-1.4 -3,-0.2 3,-0.3 0.933 112.2 43.2 -71.8 -47.3 23.2 -13.8 16.1 424 645 A V H X S+ 0 0 4 -4,-2.2 4,-1.1 1,-0.2 -2,-0.2 0.867 106.2 63.1 -64.2 -36.1 25.7 -15.7 18.3 425 646 A Q H >< S+ 0 0 61 -4,-2.2 3,-0.7 1,-0.2 4,-0.3 0.930 105.2 47.3 -49.4 -47.0 26.0 -18.4 15.6 426 647 A K H >< S+ 0 0 15 -4,-1.1 3,-1.3 -3,-0.3 -1,-0.2 0.832 103.0 61.2 -65.7 -35.8 27.3 -15.6 13.3 427 648 A L H >< S+ 0 0 1 -4,-1.4 3,-2.1 1,-0.3 -1,-0.2 0.726 86.0 76.5 -67.2 -25.7 29.8 -14.3 15.9 428 649 A E T << S+ 0 0 78 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.752 88.2 60.0 -53.3 -33.0 31.6 -17.7 16.0 429 650 A S T < S+ 0 0 86 -3,-1.3 -1,-0.3 -4,-0.3 2,-0.3 0.478 79.7 109.4 -79.3 -0.5 33.2 -16.8 12.7 430 651 A L < - 0 0 9 -3,-2.1 2,-0.1 -4,-0.1 -3,-0.0 -0.587 68.5-131.9 -74.4 134.0 34.9 -13.7 14.1 431 652 A E >> - 0 0 47 -2,-0.3 4,-1.2 1,-0.1 3,-1.1 -0.403 31.7 -98.9 -76.0 164.5 38.7 -14.0 14.5 432 653 A D H 3> S+ 0 0 50 1,-0.3 4,-2.1 2,-0.2 3,-0.2 0.810 121.9 60.6 -60.3 -36.5 40.2 -13.0 17.8 433 654 A D H 3> S+ 0 0 7 -374,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.869 109.0 44.1 -55.2 -38.5 41.3 -9.6 16.6 434 655 A D H <> S+ 0 0 40 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.682 108.4 57.1 -81.9 -22.6 37.6 -8.8 15.8 435 656 A V H X S+ 0 0 0 -4,-1.2 4,-1.1 2,-0.2 3,-0.3 0.915 103.6 53.8 -74.4 -41.9 36.3 -10.2 19.0 436 657 A L H < S+ 0 0 21 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.810 105.6 54.6 -56.1 -38.9 38.6 -7.8 20.9 437 658 A H H < S+ 0 0 37 -4,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.818 120.9 29.1 -61.6 -37.2 37.1 -4.9 19.0 438 659 A Y H X S+ 0 0 17 -4,-1.1 4,-2.4 -3,-0.3 3,-0.4 0.435 88.9 108.0-103.3 -2.4 33.6 -5.8 20.1 439 660 A L H X S+ 0 0 0 -4,-1.1 4,-2.7 1,-0.2 5,-0.1 0.823 80.2 44.7 -54.1 -45.6 34.3 -7.5 23.4 440 661 A L H > S+ 0 0 7 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.825 114.7 49.8 -69.2 -37.3 32.9 -4.8 25.8 441 662 A Q H > S+ 0 0 1 -3,-0.4 4,-1.5 2,-0.2 -2,-0.2 0.898 112.0 48.3 -67.6 -37.7 29.9 -4.4 23.7 442 663 A L H < S+ 0 0 0 -4,-2.4 4,-0.4 2,-0.2 -2,-0.2 0.907 111.3 49.8 -66.0 -44.0 29.3 -8.1 23.7 443 664 A V H >< S+ 0 0 0 -4,-2.7 3,-1.5 -5,-0.2 4,-0.2 0.951 112.1 48.8 -56.4 -44.7 29.8 -8.3 27.5 444 665 A Q H >< S+ 0 0 3 -4,-2.2 3,-2.0 1,-0.3 -1,-0.2 0.798 98.4 66.3 -66.6 -33.4 27.3 -5.5 27.9 445 666 A A G >< S+ 0 0 1 -4,-1.5 3,-1.2 1,-0.3 4,-0.3 0.616 83.3 78.4 -62.5 -11.9 24.8 -7.2 25.7 446 667 A V G X S+ 0 0 1 -3,-1.5 3,-0.8 -4,-0.4 -1,-0.3 0.768 81.1 67.5 -70.5 -20.6 24.6 -9.8 28.4 447 668 A K G < S+ 0 0 3 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.673 94.8 55.3 -66.5 -19.6 22.4 -7.3 30.2 448 669 A F G < S+ 0 0 10 -3,-1.2 -1,-0.2 -38,-0.2 -2,-0.2 0.513 85.6 103.2 -94.7 -8.2 19.7 -7.8 27.6 449 670 A E < - 0 0 17 -3,-0.8 -34,-0.1 -4,-0.3 -33,-0.0 -0.639 62.2-151.7 -71.7 130.9 19.6 -11.6 28.1 450 671 A P S S+ 0 0 20 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.820 78.9 48.4 -70.0 -34.6 16.6 -12.9 30.1 451 672 A Y S S- 0 0 20 2,-0.1 -2,-0.0 1,-0.1 -187,-0.0 -0.782 77.6-130.7-112.5 152.0 18.5 -16.0 31.5 452 673 A H S S+ 0 0 15 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.818 99.4 58.2 -69.4 -38.5 21.9 -16.3 33.1 453 674 A D S S+ 0 0 40 -424,-0.1 2,-0.3 4,-0.1 -2,-0.1 -0.897 75.1 149.2 -94.9 116.9 23.0 -19.1 31.0 454 675 A S > - 0 0 13 -2,-0.6 4,-1.7 1,-0.1 5,-0.1 -0.926 61.0-109.5-142.3 154.8 22.8 -18.0 27.3 455 676 A A H > S+ 0 0 47 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.847 119.6 55.9 -42.3 -48.3 24.6 -18.7 24.2 456 677 A L H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.935 106.2 48.9 -59.2 -45.3 26.1 -15.2 24.4 457 678 A A H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.944 113.5 48.0 -62.9 -36.5 27.5 -15.8 27.8 458 679 A R H X S+ 0 0 86 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.823 107.1 55.3 -76.6 -28.7 29.0 -19.1 26.6 459 680 A F H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 5,-0.2 0.954 110.4 46.8 -63.4 -45.1 30.5 -17.5 23.4 460 681 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.921 112.9 48.0 -62.1 -48.7 32.3 -15.1 25.7 461 682 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.944 113.5 47.5 -49.5 -62.3 33.5 -17.7 28.0 462 683 A K H X S+ 0 0 52 -4,-2.1 4,-0.9 2,-0.2 -2,-0.2 0.839 114.6 46.3 -41.7 -48.0 34.7 -20.0 25.2 463 684 A R H X S+ 0 0 9 -4,-2.3 4,-0.9 1,-0.2 8,-0.2 0.898 113.2 49.6 -76.2 -36.2 36.5 -17.1 23.4 464 685 A G H < S+ 0 0 0 -4,-2.5 7,-0.5 -5,-0.2 3,-0.2 0.831 112.0 47.6 -63.5 -41.1 38.0 -15.9 26.7 465 686 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.630 110.5 53.0 -76.0 -13.6 39.3 -19.4 27.5 466 687 A R H < S+ 0 0 94 -4,-0.9 2,-0.4 1,-0.3 -1,-0.2 0.670 115.6 35.0 -95.7 -17.8 40.7 -19.9 24.1 467 688 A N X - 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0 0 60 -6,-0.2 -2,-0.1 -2,-0.1 3,-0.1 -0.955 36.2-174.3-157.0 170.8 42.1 29.1 3.2 770 1003 A S > - 0 0 9 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.957 42.6 -99.9-158.8 165.0 45.5 27.2 3.1 771 1004 A P H > S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 -8,-0.1 0.881 122.7 44.5 -56.3 -42.7 47.0 24.0 1.7 772 1005 A H H > S+ 0 0 52 -10,-0.6 4,-2.9 2,-0.2 -9,-0.1 0.875 114.9 46.4 -71.7 -41.0 46.8 22.3 5.2 773 1006 A F H > S+ 0 0 1 -11,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.799 111.6 54.2 -68.9 -30.5 43.3 23.5 6.0 774 1007 A Q H X S+ 0 0 95 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.922 109.8 45.6 -66.2 -47.2 42.4 22.4 2.5 775 1008 A K H >X S+ 0 0 70 -4,-2.2 4,-2.8 1,-0.2 3,-1.0 0.965 110.0 56.4 -54.6 -54.2 43.7 18.9 3.3 776 1009 A F H 3X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.3 -2,-0.2 0.866 106.8 48.2 -43.1 -47.9 41.9 19.0 6.7 777 1010 A Q H 3X S+ 0 0 33 -4,-1.7 4,-0.9 2,-0.2 -1,-0.3 0.784 113.8 47.9 -68.7 -28.6 38.5 19.6 5.0 778 1011 A D H < S+ 0 0 0 -4,-2.2 3,-0.9 2,-0.2 -2,-0.2 0.932 106.9 48.3 -59.5 -46.2 33.5 6.3 5.5 787 1020 A L H >< S+ 0 0 0 -4,-2.1 3,-1.8 1,-0.3 7,-0.3 0.870 106.5 58.5 -59.4 -41.0 31.6 6.1 8.9 788 1021 A R H >< S+ 0 0 28 -4,-1.8 3,-1.3 1,-0.3 -1,-0.3 0.686 90.7 67.7 -62.8 -24.9 28.4 6.6 7.0 789 1022 A H T << S+ 0 0 95 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.529 109.5 40.2 -65.4 -5.5 29.1 3.5 5.0 790 1023 A H T <> S+ 0 0 55 -3,-1.8 4,-2.2 -4,-0.1 -1,-0.3 -0.193 74.6 137.6-136.9 33.8 28.6 1.8 8.4 791 1024 A T H <> S+ 0 0 22 -3,-1.3 4,-2.6 1,-0.2 5,-0.2 0.906 72.0 50.2 -51.3 -57.2 25.6 3.8 9.6 792 1025 A N H > S+ 0 0 57 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.871 109.2 50.8 -46.9 -51.9 23.7 0.8 11.0 793 1026 A L H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.941 115.1 43.9 -52.7 -48.4 26.8 -0.6 13.0 794 1027 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.3 5,-0.2 0.835 109.7 54.7 -72.8 -36.0 27.3 2.8 14.6 795 1028 A I H X S+ 0 0 1 -4,-2.6 4,-1.5 -5,-0.2 -1,-0.3 0.841 111.7 46.0 -62.7 -32.1 23.7 3.4 15.3 796 1029 A I H X S+ 0 0 5 -4,-1.5 4,-2.5 -3,-0.4 -2,-0.2 0.895 112.1 48.0 -83.2 -40.9 23.5 0.1 17.1 797 1030 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.892 114.6 47.9 -60.5 -42.1 26.7 0.6 19.2 798 1031 A F H X S+ 0 0 8 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.894 113.2 45.5 -66.7 -46.4 25.6 4.1 20.2 799 1032 A S H X S+ 0 0 12 -4,-1.5 4,-1.4 -5,-0.2 -2,-0.2 0.881 115.2 48.6 -66.5 -38.2 22.1 3.1 21.2 800 1033 A M H X S+ 0 0 2 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.891 109.5 53.2 -65.1 -43.1 23.5 0.1 23.1 801 1034 A M H X S+ 0 0 2 -4,-2.4 4,-1.8 1,-0.2 5,-0.3 0.878 108.5 48.7 -57.6 -50.7 26.1 2.3 24.8 802 1035 A L H X S+ 0 0 13 -4,-2.0 4,-1.2 3,-0.2 8,-0.4 0.836 114.5 46.7 -54.7 -40.2 23.5 4.7 26.1 803 1036 A M H < S+ 0 0 12 -4,-1.4 -516,-2.2 1,-0.2 -515,-0.4 0.746 122.3 31.5 -80.4 -24.4 21.3 1.9 27.4 804 1037 A T H < S+ 0 0 10 -4,-1.7 -2,-0.2 -518,-0.2 -1,-0.2 0.539 135.4 21.0-108.8 -12.8 24.0 -0.1 29.2 805 1038 A G H < S+ 0 0 8 -4,-1.8 -3,-0.2 -5,-0.2 -2,-0.2 0.527 99.9 82.2-132.7 -11.2 26.3 2.7 30.2 806 1039 A M >< - 0 0 7 -4,-1.2 3,-0.8 -5,-0.3 2,-0.4 -0.601 55.3-157.2-129.5 64.2 24.7 6.1 30.3 807 1040 A P T 3 S+ 0 0 78 0, 0.0 2,-0.2 0, 0.0 -4,-0.0 -0.560 74.7 90.4 -31.0 150.2 22.7 7.3 33.1 808 1041 A E T 3 S- 0 0 131 -2,-0.4 -522,-0.0 -6,-0.0 -6,-0.0 -0.102 96.5-121.4 48.3-119.7 20.9 9.3 32.5 809 1042 A L < - 0 0 45 -3,-0.8 -523,-0.2 -2,-0.2 -6,-0.1 -0.002 51.1-130.0 123.9 75.1 18.4 6.4 31.8 810 1043 A T - 0 0 6 -525,-0.6 2,-0.6 -8,-0.4 -4,-0.0 -0.139 17.3-132.4 -95.7 161.8 17.9 7.6 28.2 811 1044 A S > - 0 0 43 1,-0.1 3,-3.2 -2,-0.0 4,-0.3 -0.873 35.5-103.9-117.7 112.5 15.0 8.3 25.8 812 1045 A K T 3 S+ 0 0 76 -2,-0.6 -1,-0.1 1,-0.3 -13,-0.0 0.063 121.0 57.7 -15.1 95.5 14.5 7.3 22.2 813 1046 A E T 3 S+ 0 0 57 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 -0.324 96.3 54.5 140.9 -54.9 15.5 10.8 21.4 814 1047 A D S X S+ 0 0 59 -3,-3.2 3,-1.0 2,-0.2 4,-0.2 0.902 112.5 49.3 -68.1 -37.1 18.9 10.9 22.9 815 1048 A I T > S+ 0 0 17 -4,-0.3 3,-1.3 1,-0.3 4,-0.4 0.873 100.8 62.8 -73.5 -38.3 19.5 7.7 20.7 816 1049 A E T 3> S+ 0 0 75 1,-0.3 4,-1.4 -5,-0.3 -1,-0.3 0.540 80.6 87.0 -64.7 -7.4 18.2 9.5 17.6 817 1050 A Y H <> S+ 0 0 82 -3,-1.0 4,-2.6 -4,-0.2 -1,-0.3 0.901 85.4 53.0 -54.8 -44.1 21.1 12.0 17.9 818 1051 A I H <> S+ 0 0 0 -3,-1.3 4,-1.6 -4,-0.2 -1,-0.2 0.824 103.6 52.7 -74.0 -33.9 23.4 9.8 15.9 819 1052 A R H 4>S+ 0 0 42 -4,-0.4 5,-2.5 2,-0.2 -1,-0.2 0.870 111.9 48.1 -67.3 -34.4 21.2 9.3 12.9 820 1053 A D H ><5S+ 0 0 103 -4,-1.4 3,-2.3 3,-0.2 -2,-0.2 0.989 115.2 44.2 -64.6 -57.5 20.8 13.1 12.6 821 1054 A A H 3<5S+ 0 0 3 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.637 112.8 51.1 -59.3 -24.8 24.6 13.5 13.0 822 1055 A L T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.322 108.8-132.3 -87.0 5.4 25.2 10.7 10.5 823 1056 A T T < 5 - 0 0 10 -3,-2.3 -3,-0.2 1,-0.1 -2,-0.1 0.844 26.9-159.6 34.6 55.1 22.7 12.5 8.2 824 1057 A V S - 0 0 93 -3,-0.1 4,-1.8 1,-0.0 5,-0.3 -0.491 38.8 -83.4 -99.8 175.3 23.5 11.5 -0.3 828 1061 A E H > S+ 0 0 82 1,-0.2 4,-1.7 2,-0.2 -2,-0.0 0.749 126.7 42.1 -46.0 -34.9 27.3 11.8 -0.6 829 1062 A E H > S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.844 112.7 49.7 -94.8 -35.8 27.2 15.5 -1.6 830 1063 A D H > S+ 0 0 84 2,-0.2 4,-1.5 -3,-0.2 -2,-0.2 0.695 116.5 46.0 -65.7 -25.7 24.5 16.8 0.8 831 1064 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.878 109.1 52.7 -86.6 -45.6 26.4 15.0 3.6 832 1065 A K H X S+ 0 0 67 -4,-1.7 4,-1.2 -5,-0.3 -2,-0.2 0.868 113.4 46.9 -48.0 -39.9 29.8 16.4 2.4 833 1066 A K H X S+ 0 0 120 -4,-1.5 4,-3.1 2,-0.2 -2,-0.2 0.912 107.5 54.6 -76.6 -46.4 28.2 19.8 2.6 834 1067 A Y H X S+ 0 0 70 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.920 112.1 44.3 -47.3 -52.2 26.6 19.3 6.0 835 1068 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.817 110.4 53.6 -69.4 -28.2 29.9 18.5 7.5 836 1069 A L H X S+ 0 0 22 -4,-1.2 4,-1.2 -5,-0.2 -2,-0.2 0.869 107.0 54.7 -73.2 -38.3 31.6 21.4 5.6 837 1070 A D H >X S+ 0 0 83 -4,-3.1 4,-2.3 2,-0.2 3,-0.6 0.932 106.1 51.1 -41.9 -57.8 28.9 23.6 7.2 838 1071 A Q H 3X S+ 0 0 33 -4,-2.0 4,-1.6 1,-0.3 -2,-0.2 0.907 105.7 54.5 -59.7 -40.9 30.0 22.3 10.6 839 1072 A I H 3X S+ 0 0 0 -4,-1.8 4,-0.7 1,-0.2 -1,-0.3 0.853 110.8 47.9 -57.4 -35.0 33.6 23.1 9.9 840 1073 A E H 4 S+ 0 0 75 -4,-0.4 3,-1.7 1,-0.2 -1,-0.3 -0.164 79.3 172.3 112.3 -66.9 32.7 31.8 16.2 846 1079 A G T 3< + 0 0 20 -4,-0.7 3,-0.3 -3,-0.3 4,-0.3 0.004 68.1 0.0 50.9-118.7 36.3 31.3 17.3 847 1080 A W T 3> S+ 0 0 45 1,-0.2 4,-3.6 2,-0.1 5,-0.4 0.413 95.0 105.2 -95.9 -4.1 37.0 31.6 21.0 848 1081 A T H <> S+ 0 0 58 -3,-1.7 4,-4.5 1,-0.2 -1,-0.2 0.839 83.6 44.0 -49.8 -49.2 33.6 32.4 22.4 849 1082 A V H > S+ 0 0 27 -3,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.896 117.9 45.0 -69.8 -40.6 32.9 28.9 23.9 850 1083 A Q H >> S+ 0 0 5 -4,-0.3 4,-1.1 2,-0.2 3,-0.9 0.953 120.5 41.1 -63.7 -53.3 36.4 28.6 25.4 851 1084 A F H >X S+ 0 0 77 -4,-3.6 4,-1.6 1,-0.2 3,-0.7 0.940 108.6 62.3 -50.6 -51.8 36.1 32.2 26.6 852 1085 A N H 3< S+ 0 0 55 -4,-4.5 4,-0.2 -5,-0.4 -1,-0.2 0.645 96.2 58.9 -53.2 -15.8 32.6 31.6 27.7 853 1086 A W H X< S+ 0 0 126 -3,-0.9 3,-1.8 -4,-0.5 -1,-0.2 0.876 99.6 56.2 -92.7 -39.9 33.7 29.0 30.1 854 1087 A F H << S+ 0 0 64 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.965 82.2 83.6 -39.1 -50.5 35.8 31.5 31.9 855 1088 A L T 3< 0 0 116 -4,-1.6 -1,-0.3 1,-0.4 -2,-0.2 0.653 360.0 360.0 -40.5 -32.1 32.7 33.4 32.2 856 1089 A H < 0 0 209 -3,-1.8 -2,-0.4 -4,-0.2 -1,-0.4 0.263 360.0 360.0-135.3 360.0 32.6 31.0 35.0